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/SNORD17-22992110/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SNORD17-22992110/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/SNORD17-22992110/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SNORD17-22992110/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/SNORD17-22992110/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SNORD17-22992110/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/SNORD17-22992110/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SNORD17-22992110/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/SNORD17-22992110/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SNORD17-22992110/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/SNORD17-22992110/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SNORD17-22992110/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/SNORD17-22992110/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SNORD17-22992110/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/SNORD17-22992110/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SNORD17-22992110/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/SNORD17-22992110/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SNORD17-22992110/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/SNORD17-22992110/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SNORD17-22992110/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: 7
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -1974.911306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.911306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.491441 (E_RNA)
where:
Base-Base interactions energy: -1406.293
where: short stacking energy: -564.106
Base-Backbone interact. energy: -2.207
local terms energy: -605.991553
where:
bonds (distance) C4'-P energy: -110.628
bonds (distance) P-C4' energy: -123.530
flat angles C4'-P-C4' energy: -143.687
flat angles P-C4'-P energy: -75.662
tors. eta vs tors. theta energy: -152.485
Dist. restrs. and SS energy: 39.580 (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: 10
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -1997.998246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.998246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.437717 (E_RNA)
where:
Base-Base interactions energy: -1400.828
where: short stacking energy: -569.241
Base-Backbone interact. energy: 0.292
local terms energy: -620.901543
where:
bonds (distance) C4'-P energy: -129.748
bonds (distance) P-C4' energy: -109.128
flat angles C4'-P-C4' energy: -122.315
flat angles P-C4'-P energy: -92.925
tors. eta vs tors. theta energy: -166.784
Dist. restrs. and SS energy: 23.439 (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: 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: 7
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -2088.384147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.384147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.394559 (E_RNA)
where:
Base-Base interactions energy: -1469.907
where: short stacking energy: -621.218
Base-Backbone interact. energy: -3.094
local terms energy: -631.394380
where:
bonds (distance) C4'-P energy: -126.576
bonds (distance) P-C4' energy: -118.288
flat angles C4'-P-C4' energy: -144.088
flat angles P-C4'-P energy: -74.639
tors. eta vs tors. theta energy: -167.805
Dist. restrs. and SS energy: 16.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 10
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -1929.495140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.495140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.309967 (E_RNA)
where:
Base-Base interactions energy: -1338.508
where: short stacking energy: -574.063
Base-Backbone interact. energy: 0.515
local terms energy: -624.317188
where:
bonds (distance) C4'-P energy: -113.800
bonds (distance) P-C4' energy: -121.948
flat angles C4'-P-C4' energy: -125.169
flat angles P-C4'-P energy: -86.072
tors. eta vs tors. theta energy: -177.327
Dist. restrs. and SS energy: 32.815 (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: 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: 5
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -2126.967365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.967365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.449174 (E_RNA)
where:
Base-Base interactions energy: -1481.873
where: short stacking energy: -615.545
Base-Backbone interact. energy: 0.319
local terms energy: -659.894498
where:
bonds (distance) C4'-P energy: -132.536
bonds (distance) P-C4' energy: -127.919
flat angles C4'-P-C4' energy: -134.555
flat angles P-C4'-P energy: -104.160
tors. eta vs tors. theta energy: -160.724
Dist. restrs. and SS energy: 14.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -2089.013402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.013402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.120169 (E_RNA)
where:
Base-Base interactions energy: -1455.090
where: short stacking energy: -588.800
Base-Backbone interact. energy: 1.386
local terms energy: -650.415520
where:
bonds (distance) C4'-P energy: -121.841
bonds (distance) P-C4' energy: -120.822
flat angles C4'-P-C4' energy: -150.233
flat angles P-C4'-P energy: -95.560
tors. eta vs tors. theta energy: -161.960
Dist. restrs. and SS energy: 15.107 (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: 10
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -1996.810079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.810079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.882281 (E_RNA)
where:
Base-Base interactions energy: -1379.993
where: short stacking energy: -586.237
Base-Backbone interact. energy: 0.305
local terms energy: -655.194605
where:
bonds (distance) C4'-P energy: -135.927
bonds (distance) P-C4' energy: -114.377
flat angles C4'-P-C4' energy: -161.353
flat angles P-C4'-P energy: -80.107
tors. eta vs tors. theta energy: -163.430
Dist. restrs. and SS energy: 38.072 (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: 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: 5
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -2121.654779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.654779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.788637 (E_RNA)
where:
Base-Base interactions energy: -1495.111
where: short stacking energy: -628.011
Base-Backbone interact. energy: -2.909
local terms energy: -638.768505
where:
bonds (distance) C4'-P energy: -122.614
bonds (distance) P-C4' energy: -123.125
flat angles C4'-P-C4' energy: -148.808
flat angles P-C4'-P energy: -85.757
tors. eta vs tors. theta energy: -158.465
Dist. restrs. and SS energy: 15.134 (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: 15
Temperature: 1.150000
Total energy: -2073.368171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.368171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.355919 (E_RNA)
where:
Base-Base interactions energy: -1461.624
where: short stacking energy: -585.587
Base-Backbone interact. energy: 2.121
local terms energy: -632.852803
where:
bonds (distance) C4'-P energy: -130.736
bonds (distance) P-C4' energy: -121.475
flat angles C4'-P-C4' energy: -145.038
flat angles P-C4'-P energy: -79.492
tors. eta vs tors. theta energy: -156.112
Dist. restrs. and SS energy: 18.988 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -2005.825614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.825614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.179287 (E_RNA)
where:
Base-Base interactions energy: -1371.620
where: short stacking energy: -609.899
Base-Backbone interact. energy: 2.084
local terms energy: -671.643165
where:
bonds (distance) C4'-P energy: -125.338
bonds (distance) P-C4' energy: -139.681
flat angles C4'-P-C4' energy: -131.363
flat angles P-C4'-P energy: -98.040
tors. eta vs tors. theta energy: -177.221
Dist. restrs. and SS energy: 35.354 (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: 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: 8
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -2447.980388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.980388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.627908 (E_RNA)
where:
Base-Base interactions energy: -1680.836
where: short stacking energy: -706.503
Base-Backbone interact. energy: -4.877
local terms energy: -773.915173
where:
bonds (distance) C4'-P energy: -153.928
bonds (distance) P-C4' energy: -149.836
flat angles C4'-P-C4' energy: -150.552
flat angles P-C4'-P energy: -119.133
tors. eta vs tors. theta energy: -200.465
Dist. restrs. and SS energy: 11.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -2302.262830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.262830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.008178 (E_RNA)
where:
Base-Base interactions energy: -1625.691
where: short stacking energy: -692.508
Base-Backbone interact. energy: -2.329
local terms energy: -696.988373
where:
bonds (distance) C4'-P energy: -129.944
bonds (distance) P-C4' energy: -151.091
flat angles C4'-P-C4' energy: -161.484
flat angles P-C4'-P energy: -84.668
tors. eta vs tors. theta energy: -169.801
Dist. restrs. and SS energy: 22.745 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 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: 5
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -2205.070477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.070477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.811764 (E_RNA)
where:
Base-Base interactions energy: -1546.739
where: short stacking energy: -613.091
Base-Backbone interact. energy: -0.603
local terms energy: -671.469186
where:
bonds (distance) C4'-P energy: -124.343
bonds (distance) P-C4' energy: -143.997
flat angles C4'-P-C4' energy: -149.401
flat angles P-C4'-P energy: -75.721
tors. eta vs tors. theta energy: -178.007
Dist. restrs. and SS energy: 13.741 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -2071.683241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.683241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.571641 (E_RNA)
where:
Base-Base interactions energy: -1461.264
where: short stacking energy: -600.484
Base-Backbone interact. energy: -0.963
local terms energy: -626.344737
where:
bonds (distance) C4'-P energy: -109.489
bonds (distance) P-C4' energy: -133.744
flat angles C4'-P-C4' energy: -130.678
flat angles P-C4'-P energy: -93.020
tors. eta vs tors. theta energy: -159.414
Dist. restrs. and SS energy: 16.888 (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: 10
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -2042.589550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.589550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.158456 (E_RNA)
where:
Base-Base interactions energy: -1422.418
where: short stacking energy: -618.585
Base-Backbone interact. energy: -4.227
local terms energy: -645.514016
where:
bonds (distance) C4'-P energy: -117.378
bonds (distance) P-C4' energy: -134.906
flat angles C4'-P-C4' energy: -144.061
flat angles P-C4'-P energy: -81.275
tors. eta vs tors. theta energy: -167.894
Dist. restrs. and SS energy: 29.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -1955.297699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.297699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.559197 (E_RNA)
where:
Base-Base interactions energy: -1391.881
where: short stacking energy: -603.593
Base-Backbone interact. energy: -0.074
local terms energy: -583.604696
where:
bonds (distance) C4'-P energy: -106.142
bonds (distance) P-C4' energy: -108.506
flat angles C4'-P-C4' energy: -126.069
flat angles P-C4'-P energy: -80.013
tors. eta vs tors. theta energy: -162.874
Dist. restrs. and SS energy: 20.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 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: 8
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -2429.505537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.505537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.973958 (E_RNA)
where:
Base-Base interactions energy: -1695.382
where: short stacking energy: -723.275
Base-Backbone interact. energy: -1.449
local terms energy: -744.143163
where:
bonds (distance) C4'-P energy: -136.089
bonds (distance) P-C4' energy: -155.177
flat angles C4'-P-C4' energy: -144.087
flat angles P-C4'-P energy: -109.074
tors. eta vs tors. theta energy: -199.715
Dist. restrs. and SS energy: 11.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 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: 1
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -2241.915678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.915678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.759468 (E_RNA)
where:
Base-Base interactions energy: -1555.322
where: short stacking energy: -628.449
Base-Backbone interact. energy: -1.569
local terms energy: -707.868307
where:
bonds (distance) C4'-P energy: -142.809
bonds (distance) P-C4' energy: -136.146
flat angles C4'-P-C4' energy: -165.705
flat angles P-C4'-P energy: -96.770
tors. eta vs tors. theta energy: -166.438
Dist. restrs. and SS energy: 22.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -2247.741916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.741916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.891141 (E_RNA)
where:
Base-Base interactions energy: -1558.124
where: short stacking energy: -646.608
Base-Backbone interact. energy: -1.267
local terms energy: -698.500723
where:
bonds (distance) C4'-P energy: -143.224
bonds (distance) P-C4' energy: -135.346
flat angles C4'-P-C4' energy: -154.464
flat angles P-C4'-P energy: -95.438
tors. eta vs tors. theta energy: -170.029
Dist. restrs. and SS energy: 10.149 (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: 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: 7
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -2070.411616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.411616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.940640 (E_RNA)
where:
Base-Base interactions energy: -1473.093
where: short stacking energy: -612.777
Base-Backbone interact. energy: 1.403
local terms energy: -624.250346
where:
bonds (distance) C4'-P energy: -105.649
bonds (distance) P-C4' energy: -129.109
flat angles C4'-P-C4' energy: -137.636
flat angles P-C4'-P energy: -82.592
tors. eta vs tors. theta energy: -169.265
Dist. restrs. and SS energy: 25.529 (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: 10
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -1982.541203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.541203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.060114 (E_RNA)
where:
Base-Base interactions energy: -1371.199
where: short stacking energy: -590.144
Base-Backbone interact. energy: -2.674
local terms energy: -634.187030
where:
bonds (distance) C4'-P energy: -121.587
bonds (distance) P-C4' energy: -130.066
flat angles C4'-P-C4' energy: -140.742
flat angles P-C4'-P energy: -81.606
tors. eta vs tors. theta energy: -160.187
Dist. restrs. and SS energy: 25.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -1915.533404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.533404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.886532 (E_RNA)
where:
Base-Base interactions energy: -1317.347
where: short stacking energy: -519.337
Base-Backbone interact. energy: -0.806
local terms energy: -617.733568
where:
bonds (distance) C4'-P energy: -135.244
bonds (distance) P-C4' energy: -138.966
flat angles C4'-P-C4' energy: -131.145
flat angles P-C4'-P energy: -67.490
tors. eta vs tors. theta energy: -144.888
Dist. restrs. and SS energy: 20.353 (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: 4
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -1869.384674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.384674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.866021 (E_RNA)
where:
Base-Base interactions energy: -1304.504
where: short stacking energy: -558.746
Base-Backbone interact. energy: -0.697
local terms energy: -597.665304
where:
bonds (distance) C4'-P energy: -129.845
bonds (distance) P-C4' energy: -102.140
flat angles C4'-P-C4' energy: -134.281
flat angles P-C4'-P energy: -78.421
tors. eta vs tors. theta energy: -152.978
Dist. restrs. and SS energy: 33.481 (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: 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: 8
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -2478.064773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.064773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.903460 (E_RNA)
where:
Base-Base interactions energy: -1716.717
where: short stacking energy: -716.532
Base-Backbone interact. energy: 1.762
local terms energy: -773.948569
where:
bonds (distance) C4'-P energy: -151.737
bonds (distance) P-C4' energy: -149.734
flat angles C4'-P-C4' energy: -162.400
flat angles P-C4'-P energy: -115.272
tors. eta vs tors. theta energy: -194.806
Dist. restrs. and SS energy: 10.839 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 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: 5
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -2349.409370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.409370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.389287 (E_RNA)
where:
Base-Base interactions energy: -1632.476
where: short stacking energy: -664.945
Base-Backbone interact. energy: -3.409
local terms energy: -725.504411
where:
bonds (distance) C4'-P energy: -146.716
bonds (distance) P-C4' energy: -148.780
flat angles C4'-P-C4' energy: -146.696
flat angles P-C4'-P energy: -89.215
tors. eta vs tors. theta energy: -194.096
Dist. restrs. and SS energy: 11.980 (S_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: 18
Temperature: 1.050000
Total energy: -2173.055835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.055835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.569662 (E_RNA)
where:
Base-Base interactions energy: -1525.497
where: short stacking energy: -647.636
Base-Backbone interact. energy: -2.814
local terms energy: -668.259067
where:
bonds (distance) C4'-P energy: -132.932
bonds (distance) P-C4' energy: -123.348
flat angles C4'-P-C4' energy: -148.573
flat angles P-C4'-P energy: -86.530
tors. eta vs tors. theta energy: -176.875
Dist. restrs. and SS energy: 23.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -2147.491966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.491966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.694510 (E_RNA)
where:
Base-Base interactions energy: -1471.658
where: short stacking energy: -644.990
Base-Backbone interact. energy: -3.452
local terms energy: -697.584610
where:
bonds (distance) C4'-P energy: -130.387
bonds (distance) P-C4' energy: -134.916
flat angles C4'-P-C4' energy: -144.775
flat angles P-C4'-P energy: -98.592
tors. eta vs tors. theta energy: -188.915
Dist. restrs. and SS energy: 25.203 (S_DIST_RNA)
chem. 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: 10
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -1991.227577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.227577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.579163 (E_RNA)
where:
Base-Base interactions energy: -1395.976
where: short stacking energy: -575.427
Base-Backbone interact. energy: -1.065
local terms energy: -609.538238
where:
bonds (distance) C4'-P energy: -118.164
bonds (distance) P-C4' energy: -116.088
flat angles C4'-P-C4' energy: -144.690
flat angles P-C4'-P energy: -65.492
tors. eta vs tors. theta energy: -165.104
Dist. restrs. and SS energy: 15.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -1912.663389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.663389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.970578 (E_RNA)
where:
Base-Base interactions energy: -1357.198
where: short stacking energy: -544.135
Base-Backbone interact. energy: -1.619
local terms energy: -584.153545
where:
bonds (distance) C4'-P energy: -116.437
bonds (distance) P-C4' energy: -114.358
flat angles C4'-P-C4' energy: -133.126
flat angles P-C4'-P energy: -71.138
tors. eta vs tors. theta energy: -149.095
Dist. restrs. and SS energy: 30.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -1866.642331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.642331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.538148 (E_RNA)
where:
Base-Base interactions energy: -1300.057
where: short stacking energy: -540.102
Base-Backbone interact. energy: -2.042
local terms energy: -589.439508
where:
bonds (distance) C4'-P energy: -103.437
bonds (distance) P-C4' energy: -96.122
flat angles C4'-P-C4' energy: -137.726
flat angles P-C4'-P energy: -81.153
tors. eta vs tors. theta energy: -171.002
Dist. restrs. and SS energy: 24.896 (S_DIST_RNA)
chem. 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: 8
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -2456.517615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.517615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.512770 (E_RNA)
where:
Base-Base interactions energy: -1701.710
where: short stacking energy: -722.428
Base-Backbone interact. energy: -1.758
local terms energy: -768.045130
where:
bonds (distance) C4'-P energy: -156.570
bonds (distance) P-C4' energy: -141.084
flat angles C4'-P-C4' energy: -160.716
flat angles P-C4'-P energy: -105.498
tors. eta vs tors. theta energy: -204.178
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: 2, replica: 5
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -2461.507278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.507278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.204864 (E_RNA)
where:
Base-Base interactions energy: -1713.782
where: short stacking energy: -737.435
Base-Backbone interact. energy: -1.940
local terms energy: -758.483653
where:
bonds (distance) C4'-P energy: -142.063
bonds (distance) P-C4' energy: -148.526
flat angles C4'-P-C4' energy: -155.266
flat angles P-C4'-P energy: -103.867
tors. eta vs tors. theta energy: -208.762
Dist. restrs. and SS energy: 12.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 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: 1
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -2197.312838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.312838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.893012 (E_RNA)
where:
Base-Base interactions energy: -1527.428
where: short stacking energy: -649.858
Base-Backbone interact. energy: 2.239
local terms energy: -694.703598
where:
bonds (distance) C4'-P energy: -135.583
bonds (distance) P-C4' energy: -142.451
flat angles C4'-P-C4' energy: -146.860
flat angles P-C4'-P energy: -92.968
tors. eta vs tors. theta energy: -176.842
Dist. restrs. and SS energy: 22.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -2159.599273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.599273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.738360 (E_RNA)
where:
Base-Base interactions energy: -1499.226
where: short stacking energy: -637.676
Base-Backbone interact. energy: -4.130
local terms energy: -674.382182
where:
bonds (distance) C4'-P energy: -125.357
bonds (distance) P-C4' energy: -138.312
flat angles C4'-P-C4' energy: -151.984
flat angles P-C4'-P energy: -93.241
tors. eta vs tors. theta energy: -165.489
Dist. restrs. and SS energy: 18.139 (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: 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: 10
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -2078.977602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.977602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.869391 (E_RNA)
where:
Base-Base interactions energy: -1434.175
where: short stacking energy: -618.979
Base-Backbone interact. energy: -2.172
local terms energy: -659.522132
where:
bonds (distance) C4'-P energy: -109.744
bonds (distance) P-C4' energy: -137.678
flat angles C4'-P-C4' energy: -146.196
flat angles P-C4'-P energy: -82.500
tors. eta vs tors. theta energy: -183.405
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: 8, replica: 4
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -1939.643141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.643141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.150530 (E_RNA)
where:
Base-Base interactions energy: -1359.735
where: short stacking energy: -528.738
Base-Backbone interact. energy: 0.172
local terms energy: -595.588203
where:
bonds (distance) C4'-P energy: -111.166
bonds (distance) P-C4' energy: -128.511
flat angles C4'-P-C4' energy: -129.478
flat angles P-C4'-P energy: -77.858
tors. eta vs tors. theta energy: -148.574
Dist. restrs. and SS energy: 15.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -1923.816484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.816484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.960044 (E_RNA)
where:
Base-Base interactions energy: -1336.945
where: short stacking energy: -569.810
Base-Backbone interact. energy: 1.839
local terms energy: -617.853888
where:
bonds (distance) C4'-P energy: -115.254
bonds (distance) P-C4' energy: -101.148
flat angles C4'-P-C4' energy: -144.877
flat angles P-C4'-P energy: -88.152
tors. eta vs tors. theta energy: -168.423
Dist. restrs. and SS energy: 29.144 (S_DIST_RNA)
chem. 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: 8
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -2459.585865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.585865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.252463 (E_RNA)
where:
Base-Base interactions energy: -1698.431
where: short stacking energy: -698.928
Base-Backbone interact. energy: -2.377
local terms energy: -768.444914
where:
bonds (distance) C4'-P energy: -140.801
bonds (distance) P-C4' energy: -159.554
flat angles C4'-P-C4' energy: -166.304
flat angles P-C4'-P energy: -102.713
tors. eta vs tors. theta energy: -199.073
Dist. restrs. and SS energy: 9.667 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -2469.284294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.284294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.341672 (E_RNA)
where:
Base-Base interactions energy: -1722.538
where: short stacking energy: -697.999
Base-Backbone interact. energy: -5.346
local terms energy: -750.457740
where:
bonds (distance) C4'-P energy: -136.024
bonds (distance) P-C4' energy: -144.055
flat angles C4'-P-C4' energy: -163.870
flat angles P-C4'-P energy: -106.466
tors. eta vs tors. theta energy: -200.043
Dist. restrs. and SS energy: 9.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -2307.355166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.355166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.424935 (E_RNA)
where:
Base-Base interactions energy: -1606.338
where: short stacking energy: -655.065
Base-Backbone interact. energy: -3.240
local terms energy: -711.846452
where:
bonds (distance) C4'-P energy: -132.860
bonds (distance) P-C4' energy: -140.165
flat angles C4'-P-C4' energy: -159.409
flat angles P-C4'-P energy: -100.487
tors. eta vs tors. theta energy: -178.926
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: 4, replica: 1
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -2213.505311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.505311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.282883 (E_RNA)
where:
Base-Base interactions energy: -1551.961
where: short stacking energy: -627.639
Base-Backbone interact. energy: -2.045
local terms energy: -678.276630
where:
bonds (distance) C4'-P energy: -129.333
bonds (distance) P-C4' energy: -126.475
flat angles C4'-P-C4' energy: -155.264
flat angles P-C4'-P energy: -102.779
tors. eta vs tors. theta energy: -164.426
Dist. restrs. and SS energy: 18.778 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -2209.333648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.333648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.744387 (E_RNA)
where:
Base-Base interactions energy: -1534.819
where: short stacking energy: -662.666
Base-Backbone interact. energy: -2.138
local terms energy: -693.787220
where:
bonds (distance) C4'-P energy: -137.049
bonds (distance) P-C4' energy: -132.054
flat angles C4'-P-C4' energy: -148.761
flat angles P-C4'-P energy: -91.109
tors. eta vs tors. theta energy: -184.815
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: 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: 10
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -2051.442191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.442191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.187857 (E_RNA)
where:
Base-Base interactions energy: -1443.288
where: short stacking energy: -617.320
Base-Backbone interact. energy: -2.056
local terms energy: -628.843833
where:
bonds (distance) C4'-P energy: -100.429
bonds (distance) P-C4' energy: -118.376
flat angles C4'-P-C4' energy: -133.144
flat angles P-C4'-P energy: -101.114
tors. eta vs tors. theta energy: -175.781
Dist. restrs. and SS energy: 22.746 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -1934.154517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.154517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.757050 (E_RNA)
where:
Base-Base interactions energy: -1369.673
where: short stacking energy: -565.743
Base-Backbone interact. energy: 0.304
local terms energy: -582.387692
where:
bonds (distance) C4'-P energy: -94.970
bonds (distance) P-C4' energy: -130.869
flat angles C4'-P-C4' energy: -123.492
flat angles P-C4'-P energy: -80.994
tors. eta vs tors. theta energy: -152.062
Dist. restrs. and SS energy: 17.603 (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: 20
Temperature: 1.300000
Total energy: -1863.038962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.038962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.966341 (E_RNA)
where:
Base-Base interactions energy: -1284.462
where: short stacking energy: -532.512
Base-Backbone interact. energy: -1.940
local terms energy: -603.564633
where:
bonds (distance) C4'-P energy: -113.881
bonds (distance) P-C4' energy: -130.410
flat angles C4'-P-C4' energy: -135.452
flat angles P-C4'-P energy: -79.115
tors. eta vs tors. theta energy: -144.706
Dist. restrs. and SS energy: 26.927 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 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: 8
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -2514.941454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.941454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.057321 (E_RNA)
where:
Base-Base interactions energy: -1758.712
where: short stacking energy: -742.587
Base-Backbone interact. energy: -1.398
local terms energy: -774.947190
where:
bonds (distance) C4'-P energy: -145.046
bonds (distance) P-C4' energy: -145.489
flat angles C4'-P-C4' energy: -170.326
flat angles P-C4'-P energy: -105.415
tors. eta vs tors. theta energy: -208.670
Dist. restrs. and SS energy: 20.116 (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: 5
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -2467.358980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.358980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.243503 (E_RNA)
where:
Base-Base interactions energy: -1722.449
where: short stacking energy: -700.781
Base-Backbone interact. energy: -2.274
local terms energy: -748.520082
where:
bonds (distance) C4'-P energy: -138.969
bonds (distance) P-C4' energy: -146.694
flat angles C4'-P-C4' energy: -154.177
flat angles P-C4'-P energy: -106.351
tors. eta vs tors. theta energy: -202.330
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: 9
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -2298.360175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.360175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.763136 (E_RNA)
where:
Base-Base interactions energy: -1567.054
where: short stacking energy: -650.427
Base-Backbone interact. energy: -2.966
local terms energy: -749.742929
where:
bonds (distance) C4'-P energy: -151.931
bonds (distance) P-C4' energy: -135.292
flat angles C4'-P-C4' energy: -167.753
flat angles P-C4'-P energy: -106.897
tors. eta vs tors. theta energy: -187.870
Dist. restrs. and SS energy: 21.403 (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: 1
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -2185.148630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.148630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.906313 (E_RNA)
where:
Base-Base interactions energy: -1501.068
where: short stacking energy: -649.407
Base-Backbone interact. energy: -3.569
local terms energy: -710.268978
where:
bonds (distance) C4'-P energy: -133.269
bonds (distance) P-C4' energy: -138.167
flat angles C4'-P-C4' energy: -158.510
flat angles P-C4'-P energy: -94.527
tors. eta vs tors. theta energy: -185.795
Dist. restrs. and SS energy: 29.758 (S_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: 21
Temperature: 1.100000
Total energy: -2182.715810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.715810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.962436 (E_RNA)
where:
Base-Base interactions energy: -1522.531
where: short stacking energy: -638.405
Base-Backbone interact. energy: -3.026
local terms energy: -678.405537
where:
bonds (distance) C4'-P energy: -125.857
bonds (distance) P-C4' energy: -141.176
flat angles C4'-P-C4' energy: -142.297
flat angles P-C4'-P energy: -89.222
tors. eta vs tors. theta energy: -179.854
Dist. restrs. and SS energy: 21.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -2161.100960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.100960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.507204 (E_RNA)
where:
Base-Base interactions energy: -1497.362
where: short stacking energy: -647.252
Base-Backbone interact. energy: -2.276
local terms energy: -683.869136
where:
bonds (distance) C4'-P energy: -122.960
bonds (distance) P-C4' energy: -121.968
flat angles C4'-P-C4' energy: -146.170
flat angles P-C4'-P energy: -105.049
tors. eta vs tors. theta energy: -187.722
Dist. restrs. and SS energy: 22.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -2025.941059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.941059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.761255 (E_RNA)
where:
Base-Base interactions energy: -1411.624
where: short stacking energy: -607.286
Base-Backbone interact. energy: -2.067
local terms energy: -641.071058
where:
bonds (distance) C4'-P energy: -131.900
bonds (distance) P-C4' energy: -127.172
flat angles C4'-P-C4' energy: -136.686
flat angles P-C4'-P energy: -74.714
tors. eta vs tors. theta energy: -170.598
Dist. restrs. and SS energy: 28.820 (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: 21
Temperature: 1.250000
Total energy: -1978.916930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.916930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.518842 (E_RNA)
where:
Base-Base interactions energy: -1397.740
where: short stacking energy: -555.904
Base-Backbone interact. energy: -0.178
local terms energy: -602.600107
where:
bonds (distance) C4'-P energy: -104.786
bonds (distance) P-C4' energy: -132.317
flat angles C4'-P-C4' energy: -130.068
flat angles P-C4'-P energy: -84.520
tors. eta vs tors. theta energy: -150.909
Dist. restrs. and SS energy: 21.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -1927.808468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.808468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.753096 (E_RNA)
where:
Base-Base interactions energy: -1353.099
where: short stacking energy: -558.233
Base-Backbone interact. energy: -3.074
local terms energy: -595.580823
where:
bonds (distance) C4'-P energy: -107.505
bonds (distance) P-C4' energy: -118.580
flat angles C4'-P-C4' energy: -129.859
flat angles P-C4'-P energy: -91.146
tors. eta vs tors. theta energy: -148.491
Dist. restrs. and SS energy: 23.945 (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: 8
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -2512.462081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.462081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.180929 (E_RNA)
where:
Base-Base interactions energy: -1739.603
where: short stacking energy: -710.323
Base-Backbone interact. energy: -3.086
local terms energy: -780.491667
where:
bonds (distance) C4'-P energy: -151.322
bonds (distance) P-C4' energy: -152.354
flat angles C4'-P-C4' energy: -168.405
flat angles P-C4'-P energy: -113.103
tors. eta vs tors. theta energy: -195.307
Dist. restrs. and SS energy: 10.719 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -2467.173067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.173067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.537984 (E_RNA)
where:
Base-Base interactions energy: -1726.368
where: short stacking energy: -713.055
Base-Backbone interact. energy: -2.986
local terms energy: -749.183360
where:
bonds (distance) C4'-P energy: -150.322
bonds (distance) P-C4' energy: -140.453
flat angles C4'-P-C4' energy: -152.977
flat angles P-C4'-P energy: -105.743
tors. eta vs tors. theta energy: -199.688
Dist. restrs. and SS energy: 11.365 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -2338.642078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.642078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.865916 (E_RNA)
where:
Base-Base interactions energy: -1608.056
where: short stacking energy: -682.010
Base-Backbone interact. energy: -0.218
local terms energy: -751.592208
where:
bonds (distance) C4'-P energy: -151.269
bonds (distance) P-C4' energy: -140.754
flat angles C4'-P-C4' energy: -152.918
flat angles P-C4'-P energy: -108.166
tors. eta vs tors. theta energy: -198.486
Dist. restrs. and SS energy: 21.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -2202.291894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.291894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.746043 (E_RNA)
where:
Base-Base interactions energy: -1544.264
where: short stacking energy: -618.822
Base-Backbone interact. energy: -1.484
local terms energy: -670.998010
where:
bonds (distance) C4'-P energy: -122.639
bonds (distance) P-C4' energy: -121.988
flat angles C4'-P-C4' energy: -160.601
flat angles P-C4'-P energy: -94.113
tors. eta vs tors. theta energy: -171.658
Dist. restrs. and SS energy: 14.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -2196.189013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.189013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.714565 (E_RNA)
where:
Base-Base interactions energy: -1558.094
where: short stacking energy: -668.619
Base-Backbone interact. energy: 0.418
local terms energy: -664.038632
where:
bonds (distance) C4'-P energy: -113.051
bonds (distance) P-C4' energy: -119.404
flat angles C4'-P-C4' energy: -154.041
flat angles P-C4'-P energy: -93.631
tors. eta vs tors. theta energy: -183.912
Dist. restrs. and SS energy: 25.526 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -2181.539157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.539157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.108802 (E_RNA)
where:
Base-Base interactions energy: -1532.429
where: short stacking energy: -620.689
Base-Backbone interact. energy: -2.152
local terms energy: -662.527725
where:
bonds (distance) C4'-P energy: -124.796
bonds (distance) P-C4' energy: -107.327
flat angles C4'-P-C4' energy: -143.373
flat angles P-C4'-P energy: -100.845
tors. eta vs tors. theta energy: -186.187
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: 7, replica: 4
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -2026.231648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.231648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.964773 (E_RNA)
where:
Base-Base interactions energy: -1423.488
where: short stacking energy: -587.908
Base-Backbone interact. energy: -0.172
local terms energy: -623.304670
where:
bonds (distance) C4'-P energy: -121.827
bonds (distance) P-C4' energy: -129.746
flat angles C4'-P-C4' energy: -142.910
flat angles P-C4'-P energy: -70.231
tors. eta vs tors. theta energy: -158.591
Dist. restrs. and SS energy: 20.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -1980.878378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.878378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.144679 (E_RNA)
where:
Base-Base interactions energy: -1381.926
where: short stacking energy: -587.794
Base-Backbone interact. energy: -2.370
local terms energy: -612.848984
where:
bonds (distance) C4'-P energy: -124.889
bonds (distance) P-C4' energy: -104.506
flat angles C4'-P-C4' energy: -115.948
flat angles P-C4'-P energy: -101.631
tors. eta vs tors. theta energy: -165.874
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: 9, replica: 6
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -1937.548074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.548074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.978427 (E_RNA)
where:
Base-Base interactions energy: -1379.603
where: short stacking energy: -561.068
Base-Backbone interact. energy: -2.256
local terms energy: -583.118933
where:
bonds (distance) C4'-P energy: -109.781
bonds (distance) P-C4' energy: -120.832
flat angles C4'-P-C4' energy: -127.737
flat angles P-C4'-P energy: -75.144
tors. eta vs tors. theta energy: -149.625
Dist. restrs. and SS energy: 27.430 (S_DIST_RNA)
chem. 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: 8
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -2512.531386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.531386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.041965 (E_RNA)
where:
Base-Base interactions energy: -1739.615
where: short stacking energy: -753.561
Base-Backbone interact. energy: -1.367
local terms energy: -777.059757
where:
bonds (distance) C4'-P energy: -138.389
bonds (distance) P-C4' energy: -151.224
flat angles C4'-P-C4' energy: -167.858
flat angles P-C4'-P energy: -105.043
tors. eta vs tors. theta energy: -214.545
Dist. restrs. and SS energy: 5.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -2489.675607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.675607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.975711 (E_RNA)
where:
Base-Base interactions energy: -1745.000
where: short stacking energy: -729.161
Base-Backbone interact. energy: -3.727
local terms energy: -749.248217
where:
bonds (distance) C4'-P energy: -149.867
bonds (distance) P-C4' energy: -133.598
flat angles C4'-P-C4' energy: -164.571
flat angles P-C4'-P energy: -96.324
tors. eta vs tors. theta energy: -204.889
Dist. restrs. and SS energy: 8.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -2312.443054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.443054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.644435 (E_RNA)
where:
Base-Base interactions energy: -1589.333
where: short stacking energy: -681.241
Base-Backbone interact. energy: -2.799
local terms energy: -745.513184
where:
bonds (distance) C4'-P energy: -139.935
bonds (distance) P-C4' energy: -140.242
flat angles C4'-P-C4' energy: -165.988
flat angles P-C4'-P energy: -100.371
tors. eta vs tors. theta energy: -198.977
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: 4, replica: 1
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -2202.143681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.143681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.115122 (E_RNA)
where:
Base-Base interactions energy: -1503.916
where: short stacking energy: -629.519
Base-Backbone interact. energy: -5.066
local terms energy: -713.132800
where:
bonds (distance) C4'-P energy: -137.230
bonds (distance) P-C4' energy: -144.525
flat angles C4'-P-C4' energy: -160.798
flat angles P-C4'-P energy: -87.416
tors. eta vs tors. theta energy: -183.164
Dist. restrs. and SS energy: 19.971 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -2240.356642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.356642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.188892 (E_RNA)
where:
Base-Base interactions energy: -1597.156
where: short stacking energy: -700.260
Base-Backbone interact. energy: 0.002
local terms energy: -662.034503
where:
bonds (distance) C4'-P energy: -127.242
bonds (distance) P-C4' energy: -138.047
flat angles C4'-P-C4' energy: -139.790
flat angles P-C4'-P energy: -66.682
tors. eta vs tors. theta energy: -190.273
Dist. restrs. and SS energy: 18.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -2149.123077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.123077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.226851 (E_RNA)
where:
Base-Base interactions energy: -1490.698
where: short stacking energy: -619.719
Base-Backbone interact. energy: -1.135
local terms energy: -686.394318
where:
bonds (distance) C4'-P energy: -131.844
bonds (distance) P-C4' energy: -118.311
flat angles C4'-P-C4' energy: -147.958
flat angles P-C4'-P energy: -99.512
tors. eta vs tors. theta energy: -188.770
Dist. restrs. and SS energy: 29.104 (S_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: 23
Temperature: 1.200000
Total energy: -2070.523226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.523226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.732683 (E_RNA)
where:
Base-Base interactions energy: -1468.118
where: short stacking energy: -587.153
Base-Backbone interact. energy: -0.367
local terms energy: -622.248045
where:
bonds (distance) C4'-P energy: -112.047
bonds (distance) P-C4' energy: -102.641
flat angles C4'-P-C4' energy: -148.520
flat angles P-C4'-P energy: -78.262
tors. eta vs tors. theta energy: -180.778
Dist. restrs. and SS energy: 20.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -1994.250533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.250533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.289004 (E_RNA)
where:
Base-Base interactions energy: -1399.935
where: short stacking energy: -565.291
Base-Backbone interact. energy: 1.011
local terms energy: -616.364695
where:
bonds (distance) C4'-P energy: -133.569
bonds (distance) P-C4' energy: -95.641
flat angles C4'-P-C4' energy: -132.266
flat angles P-C4'-P energy: -78.948
tors. eta vs tors. theta energy: -175.940
Dist. restrs. and SS energy: 21.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -1885.935275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.935275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.096178 (E_RNA)
where:
Base-Base interactions energy: -1339.062
where: short stacking energy: -569.511
Base-Backbone interact. energy: -2.325
local terms energy: -573.708920
where:
bonds (distance) C4'-P energy: -120.667
bonds (distance) P-C4' energy: -110.075
flat angles C4'-P-C4' energy: -137.755
flat angles P-C4'-P energy: -59.798
tors. eta vs tors. theta energy: -145.414
Dist. restrs. and SS energy: 29.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 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: 8
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -2531.105124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.105124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.576119 (E_RNA)
where:
Base-Base interactions energy: -1769.288
where: short stacking energy: -751.572
Base-Backbone interact. energy: -2.197
local terms energy: -768.090825
where:
bonds (distance) C4'-P energy: -129.534
bonds (distance) P-C4' energy: -152.209
flat angles C4'-P-C4' energy: -166.625
flat angles P-C4'-P energy: -99.113
tors. eta vs tors. theta energy: -220.610
Dist. restrs. and SS energy: 8.471 (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: 5
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -2465.726213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.726213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.035762 (E_RNA)
where:
Base-Base interactions energy: -1714.972
where: short stacking energy: -721.926
Base-Backbone interact. energy: -1.989
local terms energy: -760.074629
where:
bonds (distance) C4'-P energy: -134.342
bonds (distance) P-C4' energy: -151.990
flat angles C4'-P-C4' energy: -166.886
flat angles P-C4'-P energy: -103.691
tors. eta vs tors. theta energy: -203.165
Dist. restrs. and SS energy: 11.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -2291.673396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.673396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.143159 (E_RNA)
where:
Base-Base interactions energy: -1592.681
where: short stacking energy: -691.624
Base-Backbone interact. energy: 4.225
local terms energy: -723.687670
where:
bonds (distance) C4'-P energy: -146.382
bonds (distance) P-C4' energy: -138.936
flat angles C4'-P-C4' energy: -154.756
flat angles P-C4'-P energy: -97.405
tors. eta vs tors. theta energy: -186.209
Dist. restrs. and SS energy: 20.470 (S_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: -2200.531504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.531504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.050005 (E_RNA)
where:
Base-Base interactions energy: -1545.451
where: short stacking energy: -649.759
Base-Backbone interact. energy: -4.464
local terms energy: -665.135054
where:
bonds (distance) C4'-P energy: -139.773
bonds (distance) P-C4' energy: -133.677
flat angles C4'-P-C4' energy: -142.812
flat angles P-C4'-P energy: -81.748
tors. eta vs tors. theta energy: -167.125
Dist. restrs. and SS energy: 14.519 (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: 7
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -2242.392644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.392644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.897600 (E_RNA)
where:
Base-Base interactions energy: -1575.181
where: short stacking energy: -661.971
Base-Backbone interact. energy: -3.323
local terms energy: -692.393629
where:
bonds (distance) C4'-P energy: -130.881
bonds (distance) P-C4' energy: -124.926
flat angles C4'-P-C4' energy: -144.482
flat angles P-C4'-P energy: -90.087
tors. eta vs tors. theta energy: -202.017
Dist. restrs. and SS energy: 28.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -2125.663159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.663159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.972642 (E_RNA)
where:
Base-Base interactions energy: -1474.285
where: short stacking energy: -640.833
Base-Backbone interact. energy: -1.146
local terms energy: -669.541523
where:
bonds (distance) C4'-P energy: -122.839
bonds (distance) P-C4' energy: -124.795
flat angles C4'-P-C4' energy: -126.322
flat angles P-C4'-P energy: -105.894
tors. eta vs tors. theta energy: -189.692
Dist. restrs. and SS energy: 19.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -2080.448001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.448001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.809823 (E_RNA)
where:
Base-Base interactions energy: -1453.915
where: short stacking energy: -551.374
Base-Backbone interact. energy: -3.658
local terms energy: -636.236523
where:
bonds (distance) C4'-P energy: -119.935
bonds (distance) P-C4' energy: -128.057
flat angles C4'-P-C4' energy: -137.772
flat angles P-C4'-P energy: -90.077
tors. eta vs tors. theta energy: -160.396
Dist. restrs. and SS energy: 13.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -1976.066122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.066122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.598470 (E_RNA)
where:
Base-Base interactions energy: -1372.377
where: short stacking energy: -566.635
Base-Backbone interact. energy: -0.251
local terms energy: -627.971387
where:
bonds (distance) C4'-P energy: -132.845
bonds (distance) P-C4' energy: -111.915
flat angles C4'-P-C4' energy: -134.672
flat angles P-C4'-P energy: -97.408
tors. eta vs tors. theta energy: -151.132
Dist. restrs. and SS energy: 24.532 (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: 3
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -1843.651462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.651462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.270369 (E_RNA)
where:
Base-Base interactions energy: -1265.426
where: short stacking energy: -532.280
Base-Backbone interact. energy: -1.976
local terms energy: -598.868406
where:
bonds (distance) C4'-P energy: -120.217
bonds (distance) P-C4' energy: -126.106
flat angles C4'-P-C4' energy: -125.461
flat angles P-C4'-P energy: -83.348
tors. eta vs tors. theta energy: -143.737
Dist. restrs. and SS energy: 22.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -1848.967532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.967532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.604158 (E_RNA)
where:
Base-Base interactions energy: -1285.863
where: short stacking energy: -549.109
Base-Backbone interact. energy: 1.428
local terms energy: -596.168532
where:
bonds (distance) C4'-P energy: -99.872
bonds (distance) P-C4' energy: -105.009
flat angles C4'-P-C4' energy: -141.904
flat angles P-C4'-P energy: -84.372
tors. eta vs tors. theta energy: -165.011
Dist. restrs. and SS energy: 31.637 (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: 8
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -2476.350125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.350125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.598650 (E_RNA)
where:
Base-Base interactions energy: -1723.991
where: short stacking energy: -770.765
Base-Backbone interact. energy: -1.576
local terms energy: -766.031914
where:
bonds (distance) C4'-P energy: -133.948
bonds (distance) P-C4' energy: -140.585
flat angles C4'-P-C4' energy: -170.387
flat angles P-C4'-P energy: -110.935
tors. eta vs tors. theta energy: -210.177
Dist. restrs. and SS energy: 15.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -2473.255716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.255716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.608634 (E_RNA)
where:
Base-Base interactions energy: -1710.031
where: short stacking energy: -715.686
Base-Backbone interact. energy: -4.120
local terms energy: -771.457477
where:
bonds (distance) C4'-P energy: -142.658
bonds (distance) P-C4' energy: -140.023
flat angles C4'-P-C4' energy: -159.547
flat angles P-C4'-P energy: -108.904
tors. eta vs tors. theta energy: -220.326
Dist. restrs. and SS energy: 12.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -2311.423060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.423060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.906448 (E_RNA)
where:
Base-Base interactions energy: -1613.619
where: short stacking energy: -682.836
Base-Backbone interact. energy: -2.491
local terms energy: -720.796359
where:
bonds (distance) C4'-P energy: -131.445
bonds (distance) P-C4' energy: -141.368
flat angles C4'-P-C4' energy: -154.723
flat angles P-C4'-P energy: -100.972
tors. eta vs tors. theta energy: -192.287
Dist. restrs. and SS energy: 25.483 (S_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: 25
Temperature: 1.050000
Total energy: -2203.231943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.231943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.317409 (E_RNA)
where:
Base-Base interactions energy: -1512.600
where: short stacking energy: -645.175
Base-Backbone interact. energy: -4.460
local terms energy: -700.257652
where:
bonds (distance) C4'-P energy: -144.874
bonds (distance) P-C4' energy: -142.042
flat angles C4'-P-C4' energy: -151.799
flat angles P-C4'-P energy: -81.687
tors. eta vs tors. theta energy: -179.855
Dist. restrs. and SS energy: 14.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -2269.925166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.925166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.644751 (E_RNA)
where:
Base-Base interactions energy: -1588.777
where: short stacking energy: -671.178
Base-Backbone interact. energy: -2.552
local terms energy: -699.316700
where:
bonds (distance) C4'-P energy: -120.330
bonds (distance) P-C4' energy: -138.909
flat angles C4'-P-C4' energy: -142.212
flat angles P-C4'-P energy: -102.161
tors. eta vs tors. theta energy: -195.705
Dist. restrs. and SS energy: 20.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -2213.605932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.605932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.322469 (E_RNA)
where:
Base-Base interactions energy: -1574.243
where: short stacking energy: -672.938
Base-Backbone interact. energy: -2.647
local terms energy: -650.432152
where:
bonds (distance) C4'-P energy: -108.174
bonds (distance) P-C4' energy: -122.429
flat angles C4'-P-C4' energy: -130.786
flat angles P-C4'-P energy: -98.715
tors. eta vs tors. theta energy: -190.328
Dist. restrs. and SS energy: 13.717 (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: 25
Temperature: 1.200000
Total energy: -2094.656737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.656737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.133966 (E_RNA)
where:
Base-Base interactions energy: -1454.007
where: short stacking energy: -616.614
Base-Backbone interact. energy: 3.206
local terms energy: -658.333261
where:
bonds (distance) C4'-P energy: -123.899
bonds (distance) P-C4' energy: -141.985
flat angles C4'-P-C4' energy: -130.562
flat angles P-C4'-P energy: -73.415
tors. eta vs tors. theta energy: -188.473
Dist. restrs. and SS energy: 14.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -2000.633773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.633773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.964681 (E_RNA)
where:
Base-Base interactions energy: -1408.251
where: short stacking energy: -586.764
Base-Backbone interact. energy: -3.219
local terms energy: -618.494702
where:
bonds (distance) C4'-P energy: -114.657
bonds (distance) P-C4' energy: -112.072
flat angles C4'-P-C4' energy: -146.368
flat angles P-C4'-P energy: -78.094
tors. eta vs tors. theta energy: -167.304
Dist. restrs. and SS energy: 29.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -1905.317722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.317722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.257038 (E_RNA)
where:
Base-Base interactions energy: -1339.208
where: short stacking energy: -556.141
Base-Backbone interact. energy: -1.192
local terms energy: -590.856766
where:
bonds (distance) C4'-P energy: -104.209
bonds (distance) P-C4' energy: -137.418
flat angles C4'-P-C4' energy: -114.808
flat angles P-C4'-P energy: -68.836
tors. eta vs tors. theta energy: -165.586
Dist. restrs. and SS energy: 25.939 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -1822.544268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.544268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.722275 (E_RNA)
where:
Base-Base interactions energy: -1280.303
where: short stacking energy: -552.947
Base-Backbone interact. energy: -0.734
local terms energy: -571.684966
where:
bonds (distance) C4'-P energy: -99.939
bonds (distance) P-C4' energy: -105.662
flat angles C4'-P-C4' energy: -121.230
flat angles P-C4'-P energy: -86.991
tors. eta vs tors. theta energy: -157.863
Dist. restrs. and SS energy: 30.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -2503.663212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.663212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.831399 (E_RNA)
where:
Base-Base interactions energy: -1735.201
where: short stacking energy: -739.352
Base-Backbone interact. energy: 0.185
local terms energy: -779.815105
where:
bonds (distance) C4'-P energy: -146.500
bonds (distance) P-C4' energy: -138.581
flat angles C4'-P-C4' energy: -160.725
flat angles P-C4'-P energy: -120.486
tors. eta vs tors. theta energy: -213.523
Dist. restrs. and SS energy: 11.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -2460.365837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.365837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.660509 (E_RNA)
where:
Base-Base interactions energy: -1746.847
where: short stacking energy: -722.479
Base-Backbone interact. energy: -3.889
local terms energy: -718.924065
where:
bonds (distance) C4'-P energy: -126.955
bonds (distance) P-C4' energy: -141.468
flat angles C4'-P-C4' energy: -158.274
flat angles P-C4'-P energy: -97.781
tors. eta vs tors. theta energy: -194.446
Dist. restrs. and SS energy: 9.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -2291.431683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.431683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.640543 (E_RNA)
where:
Base-Base interactions energy: -1583.670
where: short stacking energy: -716.753
Base-Backbone interact. energy: -1.821
local terms energy: -737.149224
where:
bonds (distance) C4'-P energy: -142.436
bonds (distance) P-C4' energy: -128.733
flat angles C4'-P-C4' energy: -157.226
flat angles P-C4'-P energy: -103.771
tors. eta vs tors. theta energy: -204.984
Dist. restrs. and SS energy: 31.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -2210.839537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.839537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.097028 (E_RNA)
where:
Base-Base interactions energy: -1540.049
where: short stacking energy: -649.121
Base-Backbone interact. energy: -0.975
local terms energy: -689.073389
where:
bonds (distance) C4'-P energy: -132.361
bonds (distance) P-C4' energy: -134.515
flat angles C4'-P-C4' energy: -164.359
flat angles P-C4'-P energy: -81.398
tors. eta vs tors. theta energy: -176.440
Dist. restrs. and SS energy: 19.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -2252.302416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.302416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.238372 (E_RNA)
where:
Base-Base interactions energy: -1568.677
where: short stacking energy: -659.401
Base-Backbone interact. energy: -1.878
local terms energy: -700.682407
where:
bonds (distance) C4'-P energy: -121.510
bonds (distance) P-C4' energy: -130.545
flat angles C4'-P-C4' energy: -153.449
flat angles P-C4'-P energy: -97.177
tors. eta vs tors. theta energy: -198.000
Dist. restrs. and SS energy: 18.936 (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: 26
Temperature: 1.150000
Total energy: -2222.389158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.389158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.932711 (E_RNA)
where:
Base-Base interactions energy: -1570.448
where: short stacking energy: -662.245
Base-Backbone interact. energy: -0.740
local terms energy: -667.744570
where:
bonds (distance) C4'-P energy: -96.519
bonds (distance) P-C4' energy: -138.210
flat angles C4'-P-C4' energy: -136.927
flat angles P-C4'-P energy: -98.823
tors. eta vs tors. theta energy: -197.265
Dist. restrs. and SS energy: 16.544 (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: 4
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -2078.919769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.919769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.662193 (E_RNA)
where:
Base-Base interactions energy: -1498.136
where: short stacking energy: -616.701
Base-Backbone interact. energy: -2.257
local terms energy: -598.269475
where:
bonds (distance) C4'-P energy: -113.775
bonds (distance) P-C4' energy: -115.017
flat angles C4'-P-C4' energy: -134.767
flat angles P-C4'-P energy: -72.030
tors. eta vs tors. theta energy: -162.680
Dist. restrs. and SS energy: 19.742 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -2057.398153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.398153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.343756 (E_RNA)
where:
Base-Base interactions energy: -1460.509
where: short stacking energy: -607.822
Base-Backbone interact. energy: -3.183
local terms energy: -613.652566
where:
bonds (distance) C4'-P energy: -114.637
bonds (distance) P-C4' energy: -94.356
flat angles C4'-P-C4' energy: -146.906
flat angles P-C4'-P energy: -90.821
tors. eta vs tors. theta energy: -166.932
Dist. restrs. and SS energy: 19.946 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -1944.240970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.240970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.995996 (E_RNA)
where:
Base-Base interactions energy: -1337.997
where: short stacking energy: -566.650
Base-Backbone interact. energy: -1.838
local terms energy: -636.160618
where:
bonds (distance) C4'-P energy: -120.384
bonds (distance) P-C4' energy: -125.006
flat angles C4'-P-C4' energy: -139.376
flat angles P-C4'-P energy: -80.972
tors. eta vs tors. theta energy: -170.422
Dist. restrs. and SS energy: 31.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -1857.661893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.661893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.686644 (E_RNA)
where:
Base-Base interactions energy: -1301.809
where: short stacking energy: -531.773
Base-Backbone interact. energy: 3.134
local terms energy: -583.011853
where:
bonds (distance) C4'-P energy: -106.781
bonds (distance) P-C4' energy: -119.018
flat angles C4'-P-C4' energy: -129.625
flat angles P-C4'-P energy: -61.592
tors. eta vs tors. theta energy: -165.995
Dist. restrs. and SS energy: 24.025 (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: 8
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -2512.711707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.711707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.601186 (E_RNA)
where:
Base-Base interactions energy: -1754.420
where: short stacking energy: -756.986
Base-Backbone interact. energy: -2.501
local terms energy: -773.680268
where:
bonds (distance) C4'-P energy: -141.622
bonds (distance) P-C4' energy: -141.139
flat angles C4'-P-C4' energy: -165.974
flat angles P-C4'-P energy: -109.268
tors. eta vs tors. theta energy: -215.677
Dist. restrs. and SS energy: 17.889 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -2493.293479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.293479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.347435 (E_RNA)
where:
Base-Base interactions energy: -1715.561
where: short stacking energy: -713.574
Base-Backbone interact. energy: -4.833
local terms energy: -784.953033
where:
bonds (distance) C4'-P energy: -149.603
bonds (distance) P-C4' energy: -151.667
flat angles C4'-P-C4' energy: -168.618
flat angles P-C4'-P energy: -105.038
tors. eta vs tors. theta energy: -210.028
Dist. restrs. and SS energy: 12.054 (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: 9
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -2322.034000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.034000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.512324 (E_RNA)
where:
Base-Base interactions energy: -1619.005
where: short stacking energy: -662.435
Base-Backbone interact. energy: -2.227
local terms energy: -723.279508
where:
bonds (distance) C4'-P energy: -122.053
bonds (distance) P-C4' energy: -130.186
flat angles C4'-P-C4' energy: -167.470
flat angles P-C4'-P energy: -116.408
tors. eta vs tors. theta energy: -187.163
Dist. restrs. and SS energy: 22.478 (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: 7
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -2351.299168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.299168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.532645 (E_RNA)
where:
Base-Base interactions energy: -1647.857
where: short stacking energy: -725.797
Base-Backbone interact. energy: -3.627
local terms energy: -715.048173
where:
bonds (distance) C4'-P energy: -126.151
bonds (distance) P-C4' energy: -142.009
flat angles C4'-P-C4' energy: -143.935
flat angles P-C4'-P energy: -95.178
tors. eta vs tors. theta energy: -207.775
Dist. restrs. and SS energy: 15.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -2105.679427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.679427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.586278 (E_RNA)
where:
Base-Base interactions energy: -1479.045
where: short stacking energy: -615.776
Base-Backbone interact. energy: 0.069
local terms energy: -645.610406
where:
bonds (distance) C4'-P energy: -111.664
bonds (distance) P-C4' energy: -142.353
flat angles C4'-P-C4' energy: -144.411
flat angles P-C4'-P energy: -80.574
tors. eta vs tors. theta energy: -166.609
Dist. restrs. and SS energy: 18.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -2274.558563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.558563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.088072 (E_RNA)
where:
Base-Base interactions energy: -1618.455
where: short stacking energy: -694.077
Base-Backbone interact. energy: 0.160
local terms energy: -666.792802
where:
bonds (distance) C4'-P energy: -123.913
bonds (distance) P-C4' energy: -112.893
flat angles C4'-P-C4' energy: -149.418
flat angles P-C4'-P energy: -82.188
tors. eta vs tors. theta energy: -198.381
Dist. restrs. and SS energy: 10.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -2084.796339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.796339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.431185 (E_RNA)
where:
Base-Base interactions energy: -1488.111
where: short stacking energy: -617.734
Base-Backbone interact. energy: 1.584
local terms energy: -610.904125
where:
bonds (distance) C4'-P energy: -105.275
bonds (distance) P-C4' energy: -110.199
flat angles C4'-P-C4' energy: -148.523
flat angles P-C4'-P energy: -80.164
tors. eta vs tors. theta energy: -166.743
Dist. restrs. and SS energy: 12.635 (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: 2
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -2022.644887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.644887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.074897 (E_RNA)
where:
Base-Base interactions energy: -1413.530
where: short stacking energy: -625.041
Base-Backbone interact. energy: -2.419
local terms energy: -635.125649
where:
bonds (distance) C4'-P energy: -117.433
bonds (distance) P-C4' energy: -124.289
flat angles C4'-P-C4' energy: -139.575
flat angles P-C4'-P energy: -86.705
tors. eta vs tors. theta energy: -167.124
Dist. restrs. and SS energy: 28.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -1953.120637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.120637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.851818 (E_RNA)
where:
Base-Base interactions energy: -1351.551
where: short stacking energy: -577.750
Base-Backbone interact. energy: -0.923
local terms energy: -627.377139
where:
bonds (distance) C4'-P energy: -129.805
bonds (distance) P-C4' energy: -112.724
flat angles C4'-P-C4' energy: -131.919
flat angles P-C4'-P energy: -88.239
tors. eta vs tors. theta energy: -164.691
Dist. restrs. and SS energy: 26.731 (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: 27
Temperature: 1.350000
Total energy: -1905.964732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.964732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.380042 (E_RNA)
where:
Base-Base interactions energy: -1331.275
where: short stacking energy: -567.709
Base-Backbone interact. energy: -1.584
local terms energy: -598.520865
where:
bonds (distance) C4'-P energy: -107.484
bonds (distance) P-C4' energy: -115.147
flat angles C4'-P-C4' energy: -134.393
flat angles P-C4'-P energy: -84.848
tors. eta vs tors. theta energy: -156.649
Dist. restrs. and SS energy: 25.415 (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: 5
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -2573.329819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.329819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.102759 (E_RNA)
where:
Base-Base interactions energy: -1796.634
where: short stacking energy: -764.869
Base-Backbone interact. energy: -3.917
local terms energy: -781.551380
where:
bonds (distance) C4'-P energy: -143.254
bonds (distance) P-C4' energy: -150.202
flat angles C4'-P-C4' energy: -155.292
flat angles P-C4'-P energy: -118.547
tors. eta vs tors. theta energy: -214.257
Dist. restrs. and SS energy: 8.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -2466.585095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.585095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.077423 (E_RNA)
where:
Base-Base interactions energy: -1709.139
where: short stacking energy: -743.613
Base-Backbone interact. energy: -3.389
local terms energy: -768.549625
where:
bonds (distance) C4'-P energy: -152.005
bonds (distance) P-C4' energy: -139.331
flat angles C4'-P-C4' energy: -150.866
flat angles P-C4'-P energy: -114.259
tors. eta vs tors. theta energy: -212.089
Dist. restrs. and SS energy: 14.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -2405.715387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.715387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.316437 (E_RNA)
where:
Base-Base interactions energy: -1672.692
where: short stacking energy: -700.153
Base-Backbone interact. energy: -2.530
local terms energy: -749.094031
where:
bonds (distance) C4'-P energy: -140.530
bonds (distance) P-C4' energy: -141.272
flat angles C4'-P-C4' energy: -168.629
flat angles P-C4'-P energy: -98.892
tors. eta vs tors. theta energy: -199.771
Dist. restrs. and SS energy: 18.601 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -2246.328761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.328761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.560618 (E_RNA)
where:
Base-Base interactions energy: -1559.133
where: short stacking energy: -644.503
Base-Backbone interact. energy: -3.992
local terms energy: -701.435310
where:
bonds (distance) C4'-P energy: -127.301
bonds (distance) P-C4' energy: -135.717
flat angles C4'-P-C4' energy: -154.067
flat angles P-C4'-P energy: -94.501
tors. eta vs tors. theta energy: -189.850
Dist. restrs. and SS energy: 18.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -2313.774787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.774787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.845307 (E_RNA)
where:
Base-Base interactions energy: -1616.020
where: short stacking energy: -657.586
Base-Backbone interact. energy: -2.241
local terms energy: -701.584456
where:
bonds (distance) C4'-P energy: -117.644
bonds (distance) P-C4' energy: -131.468
flat angles C4'-P-C4' energy: -150.462
flat angles P-C4'-P energy: -94.473
tors. eta vs tors. theta energy: -207.537
Dist. restrs. and SS energy: 6.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -2082.550756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.550756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.408376 (E_RNA)
where:
Base-Base interactions energy: -1480.114
where: short stacking energy: -620.299
Base-Backbone interact. energy: 0.735
local terms energy: -622.029259
where:
bonds (distance) C4'-P energy: -130.444
bonds (distance) P-C4' energy: -109.118
flat angles C4'-P-C4' energy: -132.684
flat angles P-C4'-P energy: -80.371
tors. eta vs tors. theta energy: -169.413
Dist. restrs. and SS energy: 18.858 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -2141.722681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.722681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.634144 (E_RNA)
where:
Base-Base interactions energy: -1483.065
where: short stacking energy: -649.492
Base-Backbone interact. energy: -0.932
local terms energy: -674.638036
where:
bonds (distance) C4'-P energy: -134.008
bonds (distance) P-C4' energy: -118.830
flat angles C4'-P-C4' energy: -149.789
flat angles P-C4'-P energy: -80.273
tors. eta vs tors. theta energy: -191.738
Dist. restrs. and SS energy: 16.911 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -1982.688548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.688548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.743830 (E_RNA)
where:
Base-Base interactions energy: -1382.014
where: short stacking energy: -557.748
Base-Backbone interact. energy: 0.716
local terms energy: -619.446043
where:
bonds (distance) C4'-P energy: -135.727
bonds (distance) P-C4' energy: -108.338
flat angles C4'-P-C4' energy: -128.128
flat angles P-C4'-P energy: -84.404
tors. eta vs tors. theta energy: -162.849
Dist. restrs. and SS energy: 18.055 (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: 3
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -1900.444507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.444507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.244705 (E_RNA)
where:
Base-Base interactions energy: -1318.533
where: short stacking energy: -537.732
Base-Backbone interact. energy: -1.704
local terms energy: -609.008356
where:
bonds (distance) C4'-P energy: -121.488
bonds (distance) P-C4' energy: -119.274
flat angles C4'-P-C4' energy: -120.530
flat angles P-C4'-P energy: -87.865
tors. eta vs tors. theta energy: -159.852
Dist. restrs. and SS energy: 28.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -1849.168945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.168945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.309871 (E_RNA)
where:
Base-Base interactions energy: -1297.061
where: short stacking energy: -557.451
Base-Backbone interact. energy: -1.864
local terms energy: -590.385330
where:
bonds (distance) C4'-P energy: -100.504
bonds (distance) P-C4' energy: -116.072
flat angles C4'-P-C4' energy: -126.462
flat angles P-C4'-P energy: -90.105
tors. eta vs tors. theta energy: -157.242
Dist. restrs. and SS energy: 40.141 (S_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: 29
Temperature: 0.900000
Total energy: -2571.007571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.007571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.844858 (E_RNA)
where:
Base-Base interactions energy: -1789.819
where: short stacking energy: -749.574
Base-Backbone interact. energy: -2.037
local terms energy: -786.988619
where:
bonds (distance) C4'-P energy: -150.458
bonds (distance) P-C4' energy: -144.898
flat angles C4'-P-C4' energy: -157.746
flat angles P-C4'-P energy: -112.427
tors. eta vs tors. theta energy: -221.459
Dist. restrs. and SS energy: 7.837 (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: 8
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -2447.938525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.938525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.658629 (E_RNA)
where:
Base-Base interactions energy: -1677.547
where: short stacking energy: -706.405
Base-Backbone interact. energy: -2.532
local terms energy: -777.580020
where:
bonds (distance) C4'-P energy: -163.293
bonds (distance) P-C4' energy: -142.183
flat angles C4'-P-C4' energy: -155.657
flat angles P-C4'-P energy: -111.474
tors. eta vs tors. theta energy: -204.973
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: 3, replica: 7
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -2406.152394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.152394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.476170 (E_RNA)
where:
Base-Base interactions energy: -1702.549
where: short stacking energy: -696.684
Base-Backbone interact. energy: -3.286
local terms energy: -713.641030
where:
bonds (distance) C4'-P energy: -138.947
bonds (distance) P-C4' energy: -134.826
flat angles C4'-P-C4' energy: -152.105
flat angles P-C4'-P energy: -94.653
tors. eta vs tors. theta energy: -193.110
Dist. restrs. and SS energy: 13.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -2429.775447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.775447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.123485 (E_RNA)
where:
Base-Base interactions energy: -1688.300
where: short stacking energy: -730.143
Base-Backbone interact. energy: -1.838
local terms energy: -749.985435
where:
bonds (distance) C4'-P energy: -139.497
bonds (distance) P-C4' energy: -132.849
flat angles C4'-P-C4' energy: -159.757
flat angles P-C4'-P energy: -96.458
tors. eta vs tors. theta energy: -221.425
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: 5, replica: 9
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -2204.331434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.331434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.604859 (E_RNA)
where:
Base-Base interactions energy: -1532.710
where: short stacking energy: -640.934
Base-Backbone interact. energy: -3.183
local terms energy: -690.712069
where:
bonds (distance) C4'-P energy: -129.693
bonds (distance) P-C4' energy: -133.675
flat angles C4'-P-C4' energy: -151.652
flat angles P-C4'-P energy: -79.955
tors. eta vs tors. theta energy: -195.736
Dist. restrs. and SS energy: 22.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -2110.162280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.162280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.370737 (E_RNA)
where:
Base-Base interactions energy: -1482.051
where: short stacking energy: -621.288
Base-Backbone interact. energy: 2.336
local terms energy: -655.656514
where:
bonds (distance) C4'-P energy: -121.525
bonds (distance) P-C4' energy: -126.888
flat angles C4'-P-C4' energy: -137.821
flat angles P-C4'-P energy: -90.059
tors. eta vs tors. theta energy: -179.363
Dist. restrs. and SS energy: 25.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -2132.119531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.119531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.985544 (E_RNA)
where:
Base-Base interactions energy: -1486.460
where: short stacking energy: -632.613
Base-Backbone interact. energy: -2.378
local terms energy: -659.147571
where:
bonds (distance) C4'-P energy: -126.801
bonds (distance) P-C4' energy: -134.439
flat angles C4'-P-C4' energy: -120.013
flat angles P-C4'-P energy: -96.631
tors. eta vs tors. theta energy: -181.263
Dist. restrs. and SS energy: 15.866 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -1998.762233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.762233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.077585 (E_RNA)
where:
Base-Base interactions energy: -1405.888
where: short stacking energy: -572.334
Base-Backbone interact. energy: 1.701
local terms energy: -617.890212
where:
bonds (distance) C4'-P energy: -126.196
bonds (distance) P-C4' energy: -118.239
flat angles C4'-P-C4' energy: -132.893
flat angles P-C4'-P energy: -83.586
tors. eta vs tors. theta energy: -156.976
Dist. restrs. and SS energy: 23.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -1947.746910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.746910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.137998 (E_RNA)
where:
Base-Base interactions energy: -1360.587
where: short stacking energy: -538.467
Base-Backbone interact. energy: -1.935
local terms energy: -605.616280
where:
bonds (distance) C4'-P energy: -104.705
bonds (distance) P-C4' energy: -130.795
flat angles C4'-P-C4' energy: -136.620
flat angles P-C4'-P energy: -71.319
tors. eta vs tors. theta energy: -162.178
Dist. restrs. and SS energy: 20.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -1844.573550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.573550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.916811 (E_RNA)
where:
Base-Base interactions energy: -1295.467
where: short stacking energy: -527.897
Base-Backbone interact. energy: -1.881
local terms energy: -571.568349
where:
bonds (distance) C4'-P energy: -97.883
bonds (distance) P-C4' energy: -110.607
flat angles C4'-P-C4' energy: -128.354
flat angles P-C4'-P energy: -87.364
tors. eta vs tors. theta energy: -147.361
Dist. restrs. and SS energy: 24.343 (S_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: 30
Temperature: 0.900000
Total energy: -2578.147392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.147392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.485522 (E_RNA)
where:
Base-Base interactions energy: -1810.884
where: short stacking energy: -742.992
Base-Backbone interact. energy: -6.092
local terms energy: -767.510063
where:
bonds (distance) C4'-P energy: -147.448
bonds (distance) P-C4' energy: -145.740
flat angles C4'-P-C4' energy: -152.315
flat angles P-C4'-P energy: -102.173
tors. eta vs tors. theta energy: -219.834
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: 2, replica: 8
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -2452.292488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.292488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.127683 (E_RNA)
where:
Base-Base interactions energy: -1702.708
where: short stacking energy: -713.690
Base-Backbone interact. energy: 2.359
local terms energy: -757.778329
where:
bonds (distance) C4'-P energy: -140.184
bonds (distance) P-C4' energy: -141.667
flat angles C4'-P-C4' energy: -166.845
flat angles P-C4'-P energy: -99.298
tors. eta vs tors. theta energy: -209.785
Dist. restrs. and SS energy: 5.835 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -2424.541796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.541796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.185583 (E_RNA)
where:
Base-Base interactions energy: -1695.430
where: short stacking energy: -725.211
Base-Backbone interact. energy: -4.063
local terms energy: -740.693084
where:
bonds (distance) C4'-P energy: -121.051
bonds (distance) P-C4' energy: -149.238
flat angles C4'-P-C4' energy: -153.618
flat angles P-C4'-P energy: -104.662
tors. eta vs tors. theta energy: -212.124
Dist. restrs. and SS energy: 15.644 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -2433.865588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.865588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.934319 (E_RNA)
where:
Base-Base interactions energy: -1685.236
where: short stacking energy: -712.268
Base-Backbone interact. energy: -2.308
local terms energy: -757.390940
where:
bonds (distance) C4'-P energy: -142.222
bonds (distance) P-C4' energy: -136.897
flat angles C4'-P-C4' energy: -144.065
flat angles P-C4'-P energy: -118.658
tors. eta vs tors. theta energy: -215.549
Dist. restrs. and SS energy: 11.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -2181.932530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.932530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.095020 (E_RNA)
where:
Base-Base interactions energy: -1524.514
where: short stacking energy: -660.760
Base-Backbone interact. energy: 0.033
local terms energy: -682.613471
where:
bonds (distance) C4'-P energy: -131.954
bonds (distance) P-C4' energy: -117.048
flat angles C4'-P-C4' energy: -156.186
flat angles P-C4'-P energy: -91.716
tors. eta vs tors. theta energy: -185.709
Dist. restrs. and SS energy: 25.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -2073.479022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.479022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.249674 (E_RNA)
where:
Base-Base interactions energy: -1434.445
where: short stacking energy: -583.986
Base-Backbone interact. energy: -1.187
local terms energy: -657.617332
where:
bonds (distance) C4'-P energy: -119.708
bonds (distance) P-C4' energy: -137.499
flat angles C4'-P-C4' energy: -137.207
flat angles P-C4'-P energy: -90.918
tors. eta vs tors. theta energy: -172.284
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: 7, replica: 2
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -2136.748311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.748311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.921413 (E_RNA)
where:
Base-Base interactions energy: -1499.278
where: short stacking energy: -649.027
Base-Backbone interact. energy: -3.739
local terms energy: -653.905116
where:
bonds (distance) C4'-P energy: -106.025
bonds (distance) P-C4' energy: -127.399
flat angles C4'-P-C4' energy: -146.528
flat angles P-C4'-P energy: -87.031
tors. eta vs tors. theta energy: -186.921
Dist. restrs. and SS energy: 20.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -1984.892561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.892561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.809274 (E_RNA)
where:
Base-Base interactions energy: -1406.112
where: short stacking energy: -583.674
Base-Backbone interact. energy: -1.135
local terms energy: -590.562761
where:
bonds (distance) C4'-P energy: -99.470
bonds (distance) P-C4' energy: -119.412
flat angles C4'-P-C4' energy: -124.759
flat angles P-C4'-P energy: -85.888
tors. eta vs tors. theta energy: -161.034
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: 6
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -1892.034964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.034964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.168382 (E_RNA)
where:
Base-Base interactions energy: -1295.861
where: short stacking energy: -547.857
Base-Backbone interact. energy: 2.771
local terms energy: -625.077961
where:
bonds (distance) C4'-P energy: -132.207
bonds (distance) P-C4' energy: -114.017
flat angles C4'-P-C4' energy: -141.440
flat angles P-C4'-P energy: -77.549
tors. eta vs tors. theta energy: -159.865
Dist. restrs. and SS energy: 26.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -1892.988012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.988012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.237443 (E_RNA)
where:
Base-Base interactions energy: -1359.910
where: short stacking energy: -538.269
Base-Backbone interact. energy: -3.772
local terms energy: -559.554921
where:
bonds (distance) C4'-P energy: -89.064
bonds (distance) P-C4' energy: -110.046
flat angles C4'-P-C4' energy: -126.399
flat angles P-C4'-P energy: -76.256
tors. eta vs tors. theta energy: -157.789
Dist. restrs. and SS energy: 30.249 (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: 5
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -2586.454760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.454760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.016716 (E_RNA)
where:
Base-Base interactions energy: -1803.059
where: short stacking energy: -750.323
Base-Backbone interact. energy: -3.271
local terms energy: -787.686524
where:
bonds (distance) C4'-P energy: -151.268
bonds (distance) P-C4' energy: -147.418
flat angles C4'-P-C4' energy: -159.474
flat angles P-C4'-P energy: -103.297
tors. eta vs tors. theta energy: -226.229
Dist. restrs. and SS energy: 7.562 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -2429.031421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.031421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.379837 (E_RNA)
where:
Base-Base interactions energy: -1694.968
where: short stacking energy: -731.943
Base-Backbone interact. energy: 0.226
local terms energy: -745.637796
where:
bonds (distance) C4'-P energy: -140.374
bonds (distance) P-C4' energy: -127.848
flat angles C4'-P-C4' energy: -168.142
flat angles P-C4'-P energy: -106.294
tors. eta vs tors. theta energy: -202.980
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: 3, replica: 7
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -2407.619146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.619146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.324041 (E_RNA)
where:
Base-Base interactions energy: -1678.907
where: short stacking energy: -695.611
Base-Backbone interact. energy: -2.450
local terms energy: -741.966577
where:
bonds (distance) C4'-P energy: -134.596
bonds (distance) P-C4' energy: -145.178
flat angles C4'-P-C4' energy: -161.742
flat angles P-C4'-P energy: -99.661
tors. eta vs tors. theta energy: -200.790
Dist. restrs. and SS energy: 15.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -2435.127496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.127496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.168014 (E_RNA)
where:
Base-Base interactions energy: -1685.206
where: short stacking energy: -701.138
Base-Backbone interact. energy: -3.942
local terms energy: -752.019423
where:
bonds (distance) C4'-P energy: -141.290
bonds (distance) P-C4' energy: -143.471
flat angles C4'-P-C4' energy: -150.223
flat angles P-C4'-P energy: -98.230
tors. eta vs tors. theta energy: -218.805
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: 5, replica: 9
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -2229.570254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.570254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.022460 (E_RNA)
where:
Base-Base interactions energy: -1536.165
where: short stacking energy: -651.599
Base-Backbone interact. energy: 0.070
local terms energy: -707.927353
where:
bonds (distance) C4'-P energy: -134.290
bonds (distance) P-C4' energy: -139.704
flat angles C4'-P-C4' energy: -149.683
flat angles P-C4'-P energy: -99.941
tors. eta vs tors. theta energy: -184.309
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: 6, replica: 2
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -2193.672487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.672487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.427557 (E_RNA)
where:
Base-Base interactions energy: -1541.510
where: short stacking energy: -650.875
Base-Backbone interact. energy: -3.474
local terms energy: -667.443229
where:
bonds (distance) C4'-P energy: -123.419
bonds (distance) P-C4' energy: -137.717
flat angles C4'-P-C4' energy: -132.010
flat angles P-C4'-P energy: -81.466
tors. eta vs tors. theta energy: -192.832
Dist. restrs. and SS energy: 18.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -2041.123168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.123168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.987790 (E_RNA)
where:
Base-Base interactions energy: -1437.268
where: short stacking energy: -605.576
Base-Backbone interact. energy: -3.343
local terms energy: -624.377265
where:
bonds (distance) C4'-P energy: -115.048
bonds (distance) P-C4' energy: -109.762
flat angles C4'-P-C4' energy: -145.945
flat angles P-C4'-P energy: -78.685
tors. eta vs tors. theta energy: -174.937
Dist. restrs. and SS energy: 23.865 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -1980.259399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.259399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.496062 (E_RNA)
where:
Base-Base interactions energy: -1374.809
where: short stacking energy: -570.913
Base-Backbone interact. energy: -2.222
local terms energy: -624.464505
where:
bonds (distance) C4'-P energy: -111.738
bonds (distance) P-C4' energy: -126.368
flat angles C4'-P-C4' energy: -129.928
flat angles P-C4'-P energy: -102.983
tors. eta vs tors. theta energy: -153.446
Dist. restrs. and SS energy: 21.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -1889.307305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.307305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.663320 (E_RNA)
where:
Base-Base interactions energy: -1315.016
where: short stacking energy: -571.765
Base-Backbone interact. energy: 4.416
local terms energy: -598.062852
where:
bonds (distance) C4'-P energy: -113.138
bonds (distance) P-C4' energy: -116.055
flat angles C4'-P-C4' energy: -128.002
flat angles P-C4'-P energy: -79.414
tors. eta vs tors. theta energy: -161.454
Dist. restrs. and SS energy: 19.356 (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: 31
Temperature: 1.350000
Total energy: -1881.104051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.104051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.087111 (E_RNA)
where:
Base-Base interactions energy: -1321.947
where: short stacking energy: -546.037
Base-Backbone interact. energy: -1.785
local terms energy: -586.355473
where:
bonds (distance) C4'-P energy: -115.165
bonds (distance) P-C4' energy: -123.216
flat angles C4'-P-C4' energy: -121.377
flat angles P-C4'-P energy: -72.392
tors. eta vs tors. theta energy: -154.205
Dist. restrs. and SS energy: 28.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -2564.748291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.748291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.475734 (E_RNA)
where:
Base-Base interactions energy: -1794.539
where: short stacking energy: -746.379
Base-Backbone interact. energy: -4.391
local terms energy: -776.545742
where:
bonds (distance) C4'-P energy: -136.582
bonds (distance) P-C4' energy: -150.259
flat angles C4'-P-C4' energy: -160.906
flat angles P-C4'-P energy: -110.859
tors. eta vs tors. theta energy: -217.939
Dist. restrs. and SS energy: 10.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -2464.495209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.495209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.353837 (E_RNA)
where:
Base-Base interactions energy: -1711.139
where: short stacking energy: -747.488
Base-Backbone interact. energy: -0.249
local terms energy: -766.966183
where:
bonds (distance) C4'-P energy: -129.703
bonds (distance) P-C4' energy: -148.161
flat angles C4'-P-C4' energy: -152.489
flat angles P-C4'-P energy: -120.255
tors. eta vs tors. theta energy: -216.359
Dist. restrs. and SS energy: 13.859 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -2436.510781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.510781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.687335 (E_RNA)
where:
Base-Base interactions energy: -1719.548
where: short stacking energy: -715.823
Base-Backbone interact. energy: -2.361
local terms energy: -727.777981
where:
bonds (distance) C4'-P energy: -137.709
bonds (distance) P-C4' energy: -138.206
flat angles C4'-P-C4' energy: -152.154
flat angles P-C4'-P energy: -85.111
tors. eta vs tors. theta energy: -214.597
Dist. restrs. and SS energy: 13.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -2423.575330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.575330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.215789 (E_RNA)
where:
Base-Base interactions energy: -1698.026
where: short stacking energy: -714.080
Base-Backbone interact. energy: -3.627
local terms energy: -728.562713
where:
bonds (distance) C4'-P energy: -125.438
bonds (distance) P-C4' energy: -141.131
flat angles C4'-P-C4' energy: -158.558
flat angles P-C4'-P energy: -95.330
tors. eta vs tors. theta energy: -208.106
Dist. restrs. and SS energy: 6.640 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -2179.931331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.931331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.772200 (E_RNA)
where:
Base-Base interactions energy: -1498.616
where: short stacking energy: -640.641
Base-Backbone interact. energy: 2.073
local terms energy: -702.229734
where:
bonds (distance) C4'-P energy: -139.849
bonds (distance) P-C4' energy: -138.450
flat angles C4'-P-C4' energy: -156.800
flat angles P-C4'-P energy: -88.467
tors. eta vs tors. theta energy: -178.663
Dist. restrs. and SS energy: 18.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -2202.716645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.716645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.221364 (E_RNA)
where:
Base-Base interactions energy: -1526.880
where: short stacking energy: -680.096
Base-Backbone interact. energy: -2.230
local terms energy: -698.111627
where:
bonds (distance) C4'-P energy: -124.059
bonds (distance) P-C4' energy: -132.791
flat angles C4'-P-C4' energy: -146.832
flat angles P-C4'-P energy: -94.256
tors. eta vs tors. theta energy: -200.175
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: 7, replica: 4
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -2075.445434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.445434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.590787 (E_RNA)
where:
Base-Base interactions energy: -1453.307
where: short stacking energy: -621.645
Base-Backbone interact. energy: 0.272
local terms energy: -640.555155
where:
bonds (distance) C4'-P energy: -117.586
bonds (distance) P-C4' energy: -138.903
flat angles C4'-P-C4' energy: -136.269
flat angles P-C4'-P energy: -68.117
tors. eta vs tors. theta energy: -179.681
Dist. restrs. and SS energy: 18.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -1910.439372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.439372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.641350 (E_RNA)
where:
Base-Base interactions energy: -1369.080
where: short stacking energy: -560.622
Base-Backbone interact. energy: -3.314
local terms energy: -571.247404
where:
bonds (distance) C4'-P energy: -107.285
bonds (distance) P-C4' energy: -95.641
flat angles C4'-P-C4' energy: -140.007
flat angles P-C4'-P energy: -78.400
tors. eta vs tors. theta energy: -149.914
Dist. restrs. and SS energy: 33.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -1907.919748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.919748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.517905 (E_RNA)
where:
Base-Base interactions energy: -1331.241
where: short stacking energy: -575.519
Base-Backbone interact. energy: -1.399
local terms energy: -604.877557
where:
bonds (distance) C4'-P energy: -105.906
bonds (distance) P-C4' energy: -119.074
flat angles C4'-P-C4' energy: -138.375
flat angles P-C4'-P energy: -85.836
tors. eta vs tors. theta energy: -155.687
Dist. restrs. and SS energy: 29.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -1802.158175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.158175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.487967 (E_RNA)
where:
Base-Base interactions energy: -1269.977
where: short stacking energy: -527.095
Base-Backbone interact. energy: 4.209
local terms energy: -577.720200
where:
bonds (distance) C4'-P energy: -112.615
bonds (distance) P-C4' energy: -116.628
flat angles C4'-P-C4' energy: -129.093
flat angles P-C4'-P energy: -75.731
tors. eta vs tors. theta energy: -143.653
Dist. restrs. and SS energy: 41.330 (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: 33
Temperature: 0.900000
Total energy: -2562.108169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.108169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.313447 (E_RNA)
where:
Base-Base interactions energy: -1794.892
where: short stacking energy: -739.817
Base-Backbone interact. energy: -2.323
local terms energy: -771.098281
where:
bonds (distance) C4'-P energy: -152.211
bonds (distance) P-C4' energy: -146.452
flat angles C4'-P-C4' energy: -164.790
flat angles P-C4'-P energy: -93.606
tors. eta vs tors. theta energy: -214.039
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: 2, replica: 8
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -2461.442936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.442936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.789189 (E_RNA)
where:
Base-Base interactions energy: -1705.739
where: short stacking energy: -723.156
Base-Backbone interact. energy: -0.511
local terms energy: -767.538853
where:
bonds (distance) C4'-P energy: -141.150
bonds (distance) P-C4' energy: -133.438
flat angles C4'-P-C4' energy: -167.610
flat angles P-C4'-P energy: -107.030
tors. eta vs tors. theta energy: -218.310
Dist. restrs. and SS energy: 12.346 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -2449.307326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.307326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.162727 (E_RNA)
where:
Base-Base interactions energy: -1700.692
where: short stacking energy: -712.903
Base-Backbone interact. energy: -3.767
local terms energy: -756.703651
where:
bonds (distance) C4'-P energy: -129.918
bonds (distance) P-C4' energy: -144.018
flat angles C4'-P-C4' energy: -156.579
flat angles P-C4'-P energy: -110.532
tors. eta vs tors. theta energy: -215.657
Dist. restrs. and SS energy: 11.855 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -2437.786371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.786371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.963246 (E_RNA)
where:
Base-Base interactions energy: -1694.947
where: short stacking energy: -706.064
Base-Backbone interact. energy: -4.875
local terms energy: -745.141079
where:
bonds (distance) C4'-P energy: -137.234
bonds (distance) P-C4' energy: -121.565
flat angles C4'-P-C4' energy: -151.301
flat angles P-C4'-P energy: -116.688
tors. eta vs tors. theta energy: -218.353
Dist. restrs. and SS energy: 7.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -2158.719380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.719380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.199610 (E_RNA)
where:
Base-Base interactions energy: -1494.455
where: short stacking energy: -639.364
Base-Backbone interact. energy: -5.550
local terms energy: -680.195082
where:
bonds (distance) C4'-P energy: -136.123
bonds (distance) P-C4' energy: -113.929
flat angles C4'-P-C4' energy: -150.429
flat angles P-C4'-P energy: -99.082
tors. eta vs tors. theta energy: -180.632
Dist. restrs. and SS energy: 21.480 (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: 33
Temperature: 1.150000
Total energy: -2111.649329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.649329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.022412 (E_RNA)
where:
Base-Base interactions energy: -1473.286
where: short stacking energy: -621.662
Base-Backbone interact. energy: -4.073
local terms energy: -656.663159
where:
bonds (distance) C4'-P energy: -104.960
bonds (distance) P-C4' energy: -124.699
flat angles C4'-P-C4' energy: -148.117
flat angles P-C4'-P energy: -100.205
tors. eta vs tors. theta energy: -178.682
Dist. restrs. and SS energy: 22.373 (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: 2
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -2165.327056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.327056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.469539 (E_RNA)
where:
Base-Base interactions energy: -1532.575
where: short stacking energy: -668.901
Base-Backbone interact. energy: -1.484
local terms energy: -644.410390
where:
bonds (distance) C4'-P energy: -104.763
bonds (distance) P-C4' energy: -129.298
flat angles C4'-P-C4' energy: -140.362
flat angles P-C4'-P energy: -86.556
tors. eta vs tors. theta energy: -183.432
Dist. restrs. and SS energy: 13.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -1923.920902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.920902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.180573 (E_RNA)
where:
Base-Base interactions energy: -1365.716
where: short stacking energy: -576.320
Base-Backbone interact. energy: 3.236
local terms energy: -587.700007
where:
bonds (distance) C4'-P energy: -102.061
bonds (distance) P-C4' energy: -111.094
flat angles C4'-P-C4' energy: -138.458
flat angles P-C4'-P energy: -86.462
tors. eta vs tors. theta energy: -149.626
Dist. restrs. and SS energy: 26.260 (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: 33
Temperature: 1.300000
Total energy: -1920.082935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.082935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.743508 (E_RNA)
where:
Base-Base interactions energy: -1339.440
where: short stacking energy: -559.425
Base-Backbone interact. energy: 3.396
local terms energy: -609.700494
where:
bonds (distance) C4'-P energy: -115.320
bonds (distance) P-C4' energy: -111.788
flat angles C4'-P-C4' energy: -118.190
flat angles P-C4'-P energy: -98.430
tors. eta vs tors. theta energy: -165.972
Dist. restrs. and SS energy: 25.661 (S_DIST_RNA)
chem. 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: -1758.623299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.623299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.657551 (E_RNA)
where:
Base-Base interactions energy: -1247.276
where: short stacking energy: -531.346
Base-Backbone interact. energy: -1.171
local terms energy: -532.210961
where:
bonds (distance) C4'-P energy: -116.206
bonds (distance) P-C4' energy: -102.849
flat angles C4'-P-C4' energy: -103.934
flat angles P-C4'-P energy: -78.039
tors. eta vs tors. theta energy: -131.183
Dist. restrs. and SS energy: 22.034 (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: 5
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -2581.812645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.812645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.317292 (E_RNA)
where:
Base-Base interactions energy: -1805.775
where: short stacking energy: -755.688
Base-Backbone interact. energy: -1.345
local terms energy: -783.198113
where:
bonds (distance) C4'-P energy: -150.423
bonds (distance) P-C4' energy: -157.362
flat angles C4'-P-C4' energy: -163.095
flat angles P-C4'-P energy: -98.158
tors. eta vs tors. theta energy: -214.159
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: 2, replica: 8
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -2477.414795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.414795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.408867 (E_RNA)
where:
Base-Base interactions energy: -1731.663
where: short stacking energy: -749.136
Base-Backbone interact. energy: -1.037
local terms energy: -759.708751
where:
bonds (distance) C4'-P energy: -141.282
bonds (distance) P-C4' energy: -129.720
flat angles C4'-P-C4' energy: -161.860
flat angles P-C4'-P energy: -109.258
tors. eta vs tors. theta energy: -217.589
Dist. restrs. and SS energy: 14.994 (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: 7
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -2442.988146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.988146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.846303 (E_RNA)
where:
Base-Base interactions energy: -1685.261
where: short stacking energy: -733.746
Base-Backbone interact. energy: -1.570
local terms energy: -769.015359
where:
bonds (distance) C4'-P energy: -142.473
bonds (distance) P-C4' energy: -141.582
flat angles C4'-P-C4' energy: -163.247
flat angles P-C4'-P energy: -106.095
tors. eta vs tors. theta energy: -215.617
Dist. restrs. and SS energy: 12.858 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -2434.874103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.874103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.758887 (E_RNA)
where:
Base-Base interactions energy: -1705.802
where: short stacking energy: -733.961
Base-Backbone interact. energy: -3.381
local terms energy: -731.576140
where:
bonds (distance) C4'-P energy: -134.810
bonds (distance) P-C4' energy: -129.134
flat angles C4'-P-C4' energy: -148.370
flat angles P-C4'-P energy: -97.168
tors. eta vs tors. theta energy: -222.095
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: 5, replica: 9
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -2157.047063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.047063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.215948 (E_RNA)
where:
Base-Base interactions energy: -1488.008
where: short stacking energy: -623.104
Base-Backbone interact. energy: -2.379
local terms energy: -688.829170
where:
bonds (distance) C4'-P energy: -129.774
bonds (distance) P-C4' energy: -131.984
flat angles C4'-P-C4' energy: -148.993
flat angles P-C4'-P energy: -87.227
tors. eta vs tors. theta energy: -190.852
Dist. restrs. and SS energy: 22.169 (S_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: 34
Temperature: 1.150000
Total energy: -2145.497781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.497781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.608071 (E_RNA)
where:
Base-Base interactions energy: -1486.509
where: short stacking energy: -615.735
Base-Backbone interact. energy: -2.724
local terms energy: -682.374999
where:
bonds (distance) C4'-P energy: -119.301
bonds (distance) P-C4' energy: -134.593
flat angles C4'-P-C4' energy: -154.128
flat angles P-C4'-P energy: -86.075
tors. eta vs tors. theta energy: -188.279
Dist. restrs. and SS energy: 26.110 (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: 2
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -2124.291026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.291026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.650696 (E_RNA)
where:
Base-Base interactions energy: -1509.430
where: short stacking energy: -621.984
Base-Backbone interact. energy: 0.575
local terms energy: -631.795626
where:
bonds (distance) C4'-P energy: -118.331
bonds (distance) P-C4' energy: -118.097
flat angles C4'-P-C4' energy: -145.942
flat angles P-C4'-P energy: -74.754
tors. eta vs tors. theta energy: -174.671
Dist. restrs. and SS energy: 16.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -1939.383459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.383459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.642719 (E_RNA)
where:
Base-Base interactions energy: -1357.967
where: short stacking energy: -566.759
Base-Backbone interact. energy: -3.356
local terms energy: -613.319877
where:
bonds (distance) C4'-P energy: -128.635
bonds (distance) P-C4' energy: -125.370
flat angles C4'-P-C4' energy: -126.795
flat angles P-C4'-P energy: -77.058
tors. eta vs tors. theta energy: -155.461
Dist. restrs. and SS energy: 35.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -1834.346690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.346690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.274460 (E_RNA)
where:
Base-Base interactions energy: -1272.739
where: short stacking energy: -535.388
Base-Backbone interact. energy: 0.371
local terms energy: -592.906804
where:
bonds (distance) C4'-P energy: -133.490
bonds (distance) P-C4' energy: -123.047
flat angles C4'-P-C4' energy: -126.861
flat angles P-C4'-P energy: -73.350
tors. eta vs tors. theta energy: -136.159
Dist. restrs. and SS energy: 30.928 (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: 34
Temperature: 1.350000
Total energy: -1826.362007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.362007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.780285 (E_RNA)
where:
Base-Base interactions energy: -1282.601
where: short stacking energy: -546.522
Base-Backbone interact. energy: -1.184
local terms energy: -568.995160
where:
bonds (distance) C4'-P energy: -102.870
bonds (distance) P-C4' energy: -123.281
flat angles C4'-P-C4' energy: -107.933
flat angles P-C4'-P energy: -75.958
tors. eta vs tors. theta energy: -158.954
Dist. restrs. and SS energy: 26.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -2596.006353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.006353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.054093 (E_RNA)
where:
Base-Base interactions energy: -1796.223
where: short stacking energy: -771.353
Base-Backbone interact. energy: -1.714
local terms energy: -811.116499
where:
bonds (distance) C4'-P energy: -154.696
bonds (distance) P-C4' energy: -152.416
flat angles C4'-P-C4' energy: -173.988
flat angles P-C4'-P energy: -117.737
tors. eta vs tors. theta energy: -212.279
Dist. restrs. and SS energy: 13.048 (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: 8
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -2481.288598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.288598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.984139 (E_RNA)
where:
Base-Base interactions energy: -1734.413
where: short stacking energy: -765.197
Base-Backbone interact. energy: 2.276
local terms energy: -762.847468
where:
bonds (distance) C4'-P energy: -135.368
bonds (distance) P-C4' energy: -136.117
flat angles C4'-P-C4' energy: -159.630
flat angles P-C4'-P energy: -110.900
tors. eta vs tors. theta energy: -220.831
Dist. restrs. and SS energy: 13.696 (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: 7
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -2456.537469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.537469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.081972 (E_RNA)
where:
Base-Base interactions energy: -1710.632
where: short stacking energy: -733.400
Base-Backbone interact. energy: -3.798
local terms energy: -755.652818
where:
bonds (distance) C4'-P energy: -142.126
bonds (distance) P-C4' energy: -132.277
flat angles C4'-P-C4' energy: -153.718
flat angles P-C4'-P energy: -111.287
tors. eta vs tors. theta energy: -216.245
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: 4, replica: 10
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -2428.403833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.403833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.140819 (E_RNA)
where:
Base-Base interactions energy: -1700.070
where: short stacking energy: -743.778
Base-Backbone interact. energy: -2.791
local terms energy: -734.280340
where:
bonds (distance) C4'-P energy: -120.747
bonds (distance) P-C4' energy: -131.086
flat angles C4'-P-C4' energy: -156.310
flat angles P-C4'-P energy: -100.158
tors. eta vs tors. theta energy: -225.980
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: 5, replica: 9
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -2165.682696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.682696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.976155 (E_RNA)
where:
Base-Base interactions energy: -1491.630
where: short stacking energy: -621.112
Base-Backbone interact. energy: -2.048
local terms energy: -686.297943
where:
bonds (distance) C4'-P energy: -124.823
bonds (distance) P-C4' energy: -127.735
flat angles C4'-P-C4' energy: -159.543
flat angles P-C4'-P energy: -83.922
tors. eta vs tors. theta energy: -190.274
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: 6, replica: 2
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -2215.717340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.717340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.759139 (E_RNA)
where:
Base-Base interactions energy: -1552.407
where: short stacking energy: -658.495
Base-Backbone interact. energy: -1.521
local terms energy: -673.830766
where:
bonds (distance) C4'-P energy: -124.247
bonds (distance) P-C4' energy: -126.032
flat angles C4'-P-C4' energy: -137.275
flat angles P-C4'-P energy: -89.963
tors. eta vs tors. theta energy: -196.314
Dist. restrs. and SS energy: 12.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -2082.375329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.375329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.098480 (E_RNA)
where:
Base-Base interactions energy: -1479.307
where: short stacking energy: -625.783
Base-Backbone interact. energy: 0.344
local terms energy: -623.135138
where:
bonds (distance) C4'-P energy: -96.717
bonds (distance) P-C4' energy: -123.440
flat angles C4'-P-C4' energy: -136.866
flat angles P-C4'-P energy: -81.372
tors. eta vs tors. theta energy: -184.740
Dist. restrs. and SS energy: 19.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -1962.780606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.780606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.353520 (E_RNA)
where:
Base-Base interactions energy: -1393.839
where: short stacking energy: -567.121
Base-Backbone interact. energy: -3.519
local terms energy: -592.995328
where:
bonds (distance) C4'-P energy: -108.794
bonds (distance) P-C4' energy: -123.144
flat angles C4'-P-C4' energy: -139.718
flat angles P-C4'-P energy: -70.570
tors. eta vs tors. theta energy: -150.769
Dist. restrs. and SS energy: 27.573 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -1897.476896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.476896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.114210 (E_RNA)
where:
Base-Base interactions energy: -1344.702
where: short stacking energy: -549.596
Base-Backbone interact. energy: 0.412
local terms energy: -572.824567
where:
bonds (distance) C4'-P energy: -105.262
bonds (distance) P-C4' energy: -108.406
flat angles C4'-P-C4' energy: -128.002
flat angles P-C4'-P energy: -71.919
tors. eta vs tors. theta energy: -159.236
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: 6
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -1887.285450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.285450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.046043 (E_RNA)
where:
Base-Base interactions energy: -1324.134
where: short stacking energy: -559.192
Base-Backbone interact. energy: 1.754
local terms energy: -588.666373
where:
bonds (distance) C4'-P energy: -114.099
bonds (distance) P-C4' energy: -125.308
flat angles C4'-P-C4' energy: -118.495
flat angles P-C4'-P energy: -71.140
tors. eta vs tors. theta energy: -159.625
Dist. restrs. and SS energy: 23.761 (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: 5
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -2588.211186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.211186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.066794 (E_RNA)
where:
Base-Base interactions energy: -1797.661
where: short stacking energy: -752.107
Base-Backbone interact. energy: -2.439
local terms energy: -796.966967
where:
bonds (distance) C4'-P energy: -146.965
bonds (distance) P-C4' energy: -139.501
flat angles C4'-P-C4' energy: -167.731
flat angles P-C4'-P energy: -123.178
tors. eta vs tors. theta energy: -219.593
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: 2, replica: 8
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -2520.703659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.703659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.972579 (E_RNA)
where:
Base-Base interactions energy: -1769.362
where: short stacking energy: -762.185
Base-Backbone interact. energy: -1.090
local terms energy: -760.520587
where:
bonds (distance) C4'-P energy: -133.290
bonds (distance) P-C4' energy: -141.719
flat angles C4'-P-C4' energy: -148.192
flat angles P-C4'-P energy: -112.776
tors. eta vs tors. theta energy: -224.543
Dist. restrs. and SS energy: 10.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -2455.474733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.474733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.673896 (E_RNA)
where:
Base-Base interactions energy: -1703.088
where: short stacking energy: -727.746
Base-Backbone interact. energy: -0.583
local terms energy: -766.002019
where:
bonds (distance) C4'-P energy: -142.118
bonds (distance) P-C4' energy: -153.476
flat angles C4'-P-C4' energy: -157.677
flat angles P-C4'-P energy: -92.570
tors. eta vs tors. theta energy: -220.161
Dist. restrs. and SS energy: 14.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -2397.691107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.691107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.943809 (E_RNA)
where:
Base-Base interactions energy: -1662.111
where: short stacking energy: -699.040
Base-Backbone interact. energy: -3.261
local terms energy: -739.572188
where:
bonds (distance) C4'-P energy: -121.252
bonds (distance) P-C4' energy: -140.536
flat angles C4'-P-C4' energy: -157.102
flat angles P-C4'-P energy: -107.907
tors. eta vs tors. theta energy: -212.776
Dist. restrs. and SS energy: 7.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -2217.791843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.791843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.635524 (E_RNA)
where:
Base-Base interactions energy: -1528.181
where: short stacking energy: -653.075
Base-Backbone interact. energy: -4.025
local terms energy: -702.430011
where:
bonds (distance) C4'-P energy: -127.339
bonds (distance) P-C4' energy: -121.037
flat angles C4'-P-C4' energy: -154.787
flat angles P-C4'-P energy: -97.482
tors. eta vs tors. theta energy: -201.784
Dist. restrs. and SS energy: 16.844 (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: 2
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -2195.838268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.838268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.786461 (E_RNA)
where:
Base-Base interactions energy: -1551.176
where: short stacking energy: -668.376
Base-Backbone interact. energy: -3.243
local terms energy: -658.367289
where:
bonds (distance) C4'-P energy: -122.893
bonds (distance) P-C4' energy: -122.098
flat angles C4'-P-C4' energy: -145.241
flat angles P-C4'-P energy: -94.787
tors. eta vs tors. theta energy: -173.349
Dist. restrs. and SS energy: 16.948 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -2089.611998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.611998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.751012 (E_RNA)
where:
Base-Base interactions energy: -1465.741
where: short stacking energy: -581.746
Base-Backbone interact. energy: -2.030
local terms energy: -636.979875
where:
bonds (distance) C4'-P energy: -107.003
bonds (distance) P-C4' energy: -124.698
flat angles C4'-P-C4' energy: -141.836
flat angles P-C4'-P energy: -82.322
tors. eta vs tors. theta energy: -181.121
Dist. restrs. and SS energy: 15.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -1938.607026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.607026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.454917 (E_RNA)
where:
Base-Base interactions energy: -1381.404
where: short stacking energy: -596.008
Base-Backbone interact. energy: 6.145
local terms energy: -599.196620
where:
bonds (distance) C4'-P energy: -91.386
bonds (distance) P-C4' energy: -124.645
flat angles C4'-P-C4' energy: -156.277
flat angles P-C4'-P energy: -69.062
tors. eta vs tors. theta energy: -157.826
Dist. restrs. and SS energy: 35.848 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -1894.220314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.220314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.699486 (E_RNA)
where:
Base-Base interactions energy: -1376.051
where: short stacking energy: -548.348
Base-Backbone interact. energy: -4.264
local terms energy: -534.384780
where:
bonds (distance) C4'-P energy: -94.704
bonds (distance) P-C4' energy: -109.736
flat angles C4'-P-C4' energy: -110.725
flat angles P-C4'-P energy: -70.198
tors. eta vs tors. theta energy: -149.021
Dist. restrs. and SS energy: 20.479 (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: 36
Temperature: 1.350000
Total energy: -1914.068395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.068395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.571665 (E_RNA)
where:
Base-Base interactions energy: -1343.216
where: short stacking energy: -559.833
Base-Backbone interact. energy: -3.736
local terms energy: -598.619553
where:
bonds (distance) C4'-P energy: -104.012
bonds (distance) P-C4' energy: -114.851
flat angles C4'-P-C4' energy: -125.522
flat angles P-C4'-P energy: -74.596
tors. eta vs tors. theta energy: -179.638
Dist. restrs. and SS energy: 31.503 (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: 5
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -2608.705322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.705322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.565517 (E_RNA)
where:
Base-Base interactions energy: -1843.408
where: short stacking energy: -763.945
Base-Backbone interact. energy: -1.969
local terms energy: -770.188447
where:
bonds (distance) C4'-P energy: -131.397
bonds (distance) P-C4' energy: -133.744
flat angles C4'-P-C4' energy: -159.688
flat angles P-C4'-P energy: -122.975
tors. eta vs tors. theta energy: -222.385
Dist. restrs. and SS energy: 6.860 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -2500.354334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.354334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.343601 (E_RNA)
where:
Base-Base interactions energy: -1735.675
where: short stacking energy: -749.652
Base-Backbone interact. energy: -2.902
local terms energy: -777.766440
where:
bonds (distance) C4'-P energy: -143.663
bonds (distance) P-C4' energy: -138.981
flat angles C4'-P-C4' energy: -159.171
flat angles P-C4'-P energy: -110.187
tors. eta vs tors. theta energy: -225.764
Dist. restrs. and SS energy: 15.989 (S_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: 37
Temperature: 1.000000
Total energy: -2482.121961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.121961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.133018 (E_RNA)
where:
Base-Base interactions energy: -1734.352
where: short stacking energy: -723.774
Base-Backbone interact. energy: -4.692
local terms energy: -762.088152
where:
bonds (distance) C4'-P energy: -133.740
bonds (distance) P-C4' energy: -146.446
flat angles C4'-P-C4' energy: -154.656
flat angles P-C4'-P energy: -112.817
tors. eta vs tors. theta energy: -214.429
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: 4, replica: 10
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -2448.332799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.332799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.888088 (E_RNA)
where:
Base-Base interactions energy: -1718.113
where: short stacking energy: -745.815
Base-Backbone interact. energy: -2.595
local terms energy: -732.180257
where:
bonds (distance) C4'-P energy: -116.192
bonds (distance) P-C4' energy: -128.118
flat angles C4'-P-C4' energy: -157.889
flat angles P-C4'-P energy: -101.989
tors. eta vs tors. theta energy: -227.992
Dist. restrs. and SS energy: 4.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -2197.463954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.463954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.514272 (E_RNA)
where:
Base-Base interactions energy: -1540.627
where: short stacking energy: -637.782
Base-Backbone interact. energy: -0.468
local terms energy: -669.419574
where:
bonds (distance) C4'-P energy: -130.623
bonds (distance) P-C4' energy: -138.148
flat angles C4'-P-C4' energy: -140.348
flat angles P-C4'-P energy: -68.885
tors. eta vs tors. theta energy: -191.415
Dist. restrs. and SS energy: 13.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -2224.150131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.150131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.434145 (E_RNA)
where:
Base-Base interactions energy: -1556.237
where: short stacking energy: -683.761
Base-Backbone interact. energy: -1.678
local terms energy: -679.518321
where:
bonds (distance) C4'-P energy: -135.627
bonds (distance) P-C4' energy: -121.697
flat angles C4'-P-C4' energy: -141.843
flat angles P-C4'-P energy: -80.752
tors. eta vs tors. theta energy: -199.600
Dist. restrs. and SS energy: 13.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -2081.460998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.460998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.566057 (E_RNA)
where:
Base-Base interactions energy: -1437.666
where: short stacking energy: -599.830
Base-Backbone interact. energy: -2.918
local terms energy: -663.982095
where:
bonds (distance) C4'-P energy: -111.770
bonds (distance) P-C4' energy: -118.935
flat angles C4'-P-C4' energy: -154.721
flat angles P-C4'-P energy: -93.337
tors. eta vs tors. theta energy: -185.219
Dist. restrs. and SS energy: 23.105 (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: 3
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -2040.242443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.242443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.513186 (E_RNA)
where:
Base-Base interactions energy: -1446.075
where: short stacking energy: -616.401
Base-Backbone interact. energy: -0.737
local terms energy: -621.701245
where:
bonds (distance) C4'-P energy: -109.278
bonds (distance) P-C4' energy: -127.054
flat angles C4'-P-C4' energy: -129.678
flat angles P-C4'-P energy: -73.980
tors. eta vs tors. theta energy: -181.712
Dist. restrs. and SS energy: 28.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -1819.301200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.301200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.944964 (E_RNA)
where:
Base-Base interactions energy: -1317.781
where: short stacking energy: -554.793
Base-Backbone interact. energy: 1.831
local terms energy: -541.995696
where:
bonds (distance) C4'-P energy: -107.507
bonds (distance) P-C4' energy: -111.005
flat angles C4'-P-C4' energy: -122.973
flat angles P-C4'-P energy: -66.095
tors. eta vs tors. theta energy: -134.416
Dist. restrs. and SS energy: 38.644 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -1868.400747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.400747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.568260 (E_RNA)
where:
Base-Base interactions energy: -1314.681
where: short stacking energy: -536.492
Base-Backbone interact. energy: -2.172
local terms energy: -568.715445
where:
bonds (distance) C4'-P energy: -109.486
bonds (distance) P-C4' energy: -110.846
flat angles C4'-P-C4' energy: -117.835
flat angles P-C4'-P energy: -88.282
tors. eta vs tors. theta energy: -142.266
Dist. restrs. and SS energy: 17.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -2612.067399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.067399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.983253 (E_RNA)
where:
Base-Base interactions energy: -1823.495
where: short stacking energy: -747.760
Base-Backbone interact. energy: 0.979
local terms energy: -798.467376
where:
bonds (distance) C4'-P energy: -155.443
bonds (distance) P-C4' energy: -146.649
flat angles C4'-P-C4' energy: -175.145
flat angles P-C4'-P energy: -107.348
tors. eta vs tors. theta energy: -213.882
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: 2, replica: 8
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -2490.977178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.977178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.116761 (E_RNA)
where:
Base-Base interactions energy: -1738.143
where: short stacking energy: -729.244
Base-Backbone interact. energy: -4.309
local terms energy: -761.665162
where:
bonds (distance) C4'-P energy: -136.695
bonds (distance) P-C4' energy: -136.318
flat angles C4'-P-C4' energy: -164.738
flat angles P-C4'-P energy: -107.750
tors. eta vs tors. theta energy: -216.165
Dist. restrs. and SS energy: 13.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -2500.040583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.040583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.556994 (E_RNA)
where:
Base-Base interactions energy: -1760.972
where: short stacking energy: -744.318
Base-Backbone interact. energy: 1.648
local terms energy: -747.232636
where:
bonds (distance) C4'-P energy: -126.501
bonds (distance) P-C4' energy: -141.167
flat angles C4'-P-C4' energy: -146.214
flat angles P-C4'-P energy: -111.243
tors. eta vs tors. theta energy: -222.107
Dist. restrs. and SS energy: 6.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -2383.681944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.681944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.166165 (E_RNA)
where:
Base-Base interactions energy: -1689.544
where: short stacking energy: -688.362
Base-Backbone interact. energy: -4.999
local terms energy: -707.622900
where:
bonds (distance) C4'-P energy: -124.375
bonds (distance) P-C4' energy: -133.188
flat angles C4'-P-C4' energy: -146.555
flat angles P-C4'-P energy: -101.241
tors. eta vs tors. theta energy: -202.262
Dist. restrs. and SS energy: 18.484 (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: 2
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -2261.102427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.102427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.564351 (E_RNA)
where:
Base-Base interactions energy: -1570.966
where: short stacking energy: -664.134
Base-Backbone interact. energy: -0.393
local terms energy: -701.204945
where:
bonds (distance) C4'-P energy: -118.092
bonds (distance) P-C4' energy: -136.715
flat angles C4'-P-C4' energy: -135.707
flat angles P-C4'-P energy: -103.049
tors. eta vs tors. theta energy: -207.642
Dist. restrs. and SS energy: 11.462 (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: 38
Temperature: 1.150000
Total energy: -2104.707572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.707572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.926768 (E_RNA)
where:
Base-Base interactions energy: -1441.933
where: short stacking energy: -604.302
Base-Backbone interact. energy: -0.877
local terms energy: -679.116772
where:
bonds (distance) C4'-P energy: -120.962
bonds (distance) P-C4' energy: -121.953
flat angles C4'-P-C4' energy: -173.164
flat angles P-C4'-P energy: -84.136
tors. eta vs tors. theta energy: -178.902
Dist. restrs. and SS energy: 17.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -2074.669797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.669797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.576208 (E_RNA)
where:
Base-Base interactions energy: -1441.607
where: short stacking energy: -635.980
Base-Backbone interact. energy: 2.458
local terms energy: -648.426536
where:
bonds (distance) C4'-P energy: -132.015
bonds (distance) P-C4' energy: -120.318
flat angles C4'-P-C4' energy: -140.269
flat angles P-C4'-P energy: -79.767
tors. eta vs tors. theta energy: -176.057
Dist. restrs. and SS energy: 12.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -2022.409495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.409495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.744010 (E_RNA)
where:
Base-Base interactions energy: -1389.946
where: short stacking energy: -620.747
Base-Backbone interact. energy: -3.253
local terms energy: -653.545060
where:
bonds (distance) C4'-P energy: -99.227
bonds (distance) P-C4' energy: -133.466
flat angles C4'-P-C4' energy: -143.712
flat angles P-C4'-P energy: -100.260
tors. eta vs tors. theta energy: -176.881
Dist. restrs. and SS energy: 24.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -1913.864299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.864299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.626428 (E_RNA)
where:
Base-Base interactions energy: -1376.494
where: short stacking energy: -572.682
Base-Backbone interact. energy: -0.084
local terms energy: -554.048265
where:
bonds (distance) C4'-P energy: -130.306
bonds (distance) P-C4' energy: -99.420
flat angles C4'-P-C4' energy: -117.695
flat angles P-C4'-P energy: -64.500
tors. eta vs tors. theta energy: -142.127
Dist. restrs. and SS energy: 16.762 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -1749.010682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.010682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.600851 (E_RNA)
where:
Base-Base interactions energy: -1239.474
where: short stacking energy: -521.756
Base-Backbone interact. energy: 0.676
local terms energy: -548.802844
where:
bonds (distance) C4'-P energy: -109.559
bonds (distance) P-C4' energy: -103.502
flat angles C4'-P-C4' energy: -136.037
flat angles P-C4'-P energy: -63.085
tors. eta vs tors. theta energy: -136.619
Dist. restrs. and SS energy: 38.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -2610.063956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.063956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.833544 (E_RNA)
where:
Base-Base interactions energy: -1832.707
where: short stacking energy: -769.776
Base-Backbone interact. energy: -0.504
local terms energy: -785.622674
where:
bonds (distance) C4'-P energy: -160.356
bonds (distance) P-C4' energy: -127.992
flat angles C4'-P-C4' energy: -173.164
flat angles P-C4'-P energy: -106.152
tors. eta vs tors. theta energy: -217.958
Dist. restrs. and SS energy: 8.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -2569.335702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.335702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.581215 (E_RNA)
where:
Base-Base interactions energy: -1773.556
where: short stacking energy: -763.640
Base-Backbone interact. energy: 0.211
local terms energy: -805.235859
where:
bonds (distance) C4'-P energy: -144.168
bonds (distance) P-C4' energy: -147.604
flat angles C4'-P-C4' energy: -160.654
flat angles P-C4'-P energy: -115.896
tors. eta vs tors. theta energy: -236.915
Dist. restrs. and SS energy: 9.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -2462.322655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.322655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.389557 (E_RNA)
where:
Base-Base interactions energy: -1713.551
where: short stacking energy: -729.762
Base-Backbone interact. energy: -2.308
local terms energy: -760.530812
where:
bonds (distance) C4'-P energy: -134.497
bonds (distance) P-C4' energy: -138.092
flat angles C4'-P-C4' energy: -166.078
flat angles P-C4'-P energy: -105.656
tors. eta vs tors. theta energy: -216.209
Dist. restrs. and SS energy: 14.067 (S_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: -2391.604450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.604450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.693502 (E_RNA)
where:
Base-Base interactions energy: -1694.445
where: short stacking energy: -707.717
Base-Backbone interact. energy: -1.095
local terms energy: -718.153379
where:
bonds (distance) C4'-P energy: -126.586
bonds (distance) P-C4' energy: -121.034
flat angles C4'-P-C4' energy: -152.520
flat angles P-C4'-P energy: -109.538
tors. eta vs tors. theta energy: -208.476
Dist. restrs. and SS energy: 22.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -2251.811965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.811965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.174126 (E_RNA)
where:
Base-Base interactions energy: -1558.920
where: short stacking energy: -659.900
Base-Backbone interact. energy: -2.817
local terms energy: -704.437197
where:
bonds (distance) C4'-P energy: -133.193
bonds (distance) P-C4' energy: -125.568
flat angles C4'-P-C4' energy: -159.400
flat angles P-C4'-P energy: -86.859
tors. eta vs tors. theta energy: -199.417
Dist. restrs. and SS energy: 14.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -2115.537878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.537878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.517468 (E_RNA)
where:
Base-Base interactions energy: -1469.883
where: short stacking energy: -639.630
Base-Backbone interact. energy: -0.644
local terms energy: -665.989812
where:
bonds (distance) C4'-P energy: -127.979
bonds (distance) P-C4' energy: -113.282
flat angles C4'-P-C4' energy: -158.653
flat angles P-C4'-P energy: -89.788
tors. eta vs tors. theta energy: -176.287
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: 7, replica: 4
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -2087.343064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.343064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.398787 (E_RNA)
where:
Base-Base interactions energy: -1460.679
where: short stacking energy: -607.641
Base-Backbone interact. energy: -0.889
local terms energy: -648.830738
where:
bonds (distance) C4'-P energy: -109.678
bonds (distance) P-C4' energy: -132.262
flat angles C4'-P-C4' energy: -156.768
flat angles P-C4'-P energy: -80.783
tors. eta vs tors. theta energy: -169.339
Dist. restrs. and SS energy: 23.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -2053.703552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.703552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.126022 (E_RNA)
where:
Base-Base interactions energy: -1421.121
where: short stacking energy: -594.592
Base-Backbone interact. energy: 0.470
local terms energy: -657.474780
where:
bonds (distance) C4'-P energy: -126.792
bonds (distance) P-C4' energy: -111.965
flat angles C4'-P-C4' energy: -145.295
flat angles P-C4'-P energy: -99.547
tors. eta vs tors. theta energy: -173.877
Dist. restrs. and SS energy: 24.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -1933.946927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.946927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.554522 (E_RNA)
where:
Base-Base interactions energy: -1364.895
where: short stacking energy: -575.992
Base-Backbone interact. energy: -1.228
local terms energy: -593.431697
where:
bonds (distance) C4'-P energy: -102.196
bonds (distance) P-C4' energy: -104.187
flat angles C4'-P-C4' energy: -130.414
flat angles P-C4'-P energy: -90.630
tors. eta vs tors. theta energy: -166.005
Dist. restrs. and SS energy: 25.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -1724.406502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.406502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.079139 (E_RNA)
where:
Base-Base interactions energy: -1231.560
where: short stacking energy: -534.370
Base-Backbone interact. energy: 4.839
local terms energy: -539.359043
where:
bonds (distance) C4'-P energy: -118.348
bonds (distance) P-C4' energy: -104.904
flat angles C4'-P-C4' energy: -118.316
flat angles P-C4'-P energy: -62.032
tors. eta vs tors. theta energy: -135.759
Dist. restrs. and SS energy: 41.673 (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: 5
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -2646.373904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.373904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.348657 (E_RNA)
where:
Base-Base interactions energy: -1828.764
where: short stacking energy: -787.470
Base-Backbone interact. energy: -3.063
local terms energy: -824.520944
where:
bonds (distance) C4'-P energy: -145.817
bonds (distance) P-C4' energy: -157.393
flat angles C4'-P-C4' energy: -170.333
flat angles P-C4'-P energy: -116.249
tors. eta vs tors. theta energy: -234.729
Dist. restrs. and SS energy: 9.975 (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: 40
Temperature: 0.950000
Total energy: -2568.102408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.102408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.611875 (E_RNA)
where:
Base-Base interactions energy: -1806.120
where: short stacking energy: -780.684
Base-Backbone interact. energy: 0.367
local terms energy: -769.858237
where:
bonds (distance) C4'-P energy: -145.893
bonds (distance) P-C4' energy: -134.409
flat angles C4'-P-C4' energy: -154.037
flat angles P-C4'-P energy: -107.993
tors. eta vs tors. theta energy: -227.526
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: 3, replica: 8
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -2465.452566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.452566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.666058 (E_RNA)
where:
Base-Base interactions energy: -1731.227
where: short stacking energy: -730.660
Base-Backbone interact. energy: -2.492
local terms energy: -741.947746
where:
bonds (distance) C4'-P energy: -130.175
bonds (distance) P-C4' energy: -137.578
flat angles C4'-P-C4' energy: -161.105
flat angles P-C4'-P energy: -103.248
tors. eta vs tors. theta energy: -209.842
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: 4, replica: 7
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -2389.835619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.835619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.841887 (E_RNA)
where:
Base-Base interactions energy: -1663.855
where: short stacking energy: -705.171
Base-Backbone interact. energy: -0.876
local terms energy: -738.110121
where:
bonds (distance) C4'-P energy: -145.047
bonds (distance) P-C4' energy: -123.213
flat angles C4'-P-C4' energy: -158.525
flat angles P-C4'-P energy: -109.170
tors. eta vs tors. theta energy: -202.155
Dist. restrs. and SS energy: 13.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -2299.488792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.488792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.688233 (E_RNA)
where:
Base-Base interactions energy: -1600.046
where: short stacking energy: -675.877
Base-Backbone interact. energy: -0.820
local terms energy: -713.822343
where:
bonds (distance) C4'-P energy: -126.617
bonds (distance) P-C4' energy: -143.896
flat angles C4'-P-C4' energy: -153.950
flat angles P-C4'-P energy: -82.970
tors. eta vs tors. theta energy: -206.389
Dist. restrs. and SS energy: 15.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -2133.592844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.592844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.241832 (E_RNA)
where:
Base-Base interactions energy: -1468.898
where: short stacking energy: -639.098
Base-Backbone interact. energy: -0.180
local terms energy: -681.164465
where:
bonds (distance) C4'-P energy: -141.515
bonds (distance) P-C4' energy: -126.045
flat angles C4'-P-C4' energy: -140.566
flat angles P-C4'-P energy: -91.683
tors. eta vs tors. theta energy: -181.356
Dist. restrs. and SS energy: 16.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -2071.934830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.934830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.175162 (E_RNA)
where:
Base-Base interactions energy: -1462.196
where: short stacking energy: -599.353
Base-Backbone interact. energy: 0.095
local terms energy: -636.073640
where:
bonds (distance) C4'-P energy: -106.687
bonds (distance) P-C4' energy: -119.546
flat angles C4'-P-C4' energy: -143.164
flat angles P-C4'-P energy: -94.419
tors. eta vs tors. theta energy: -172.258
Dist. restrs. and SS energy: 26.240 (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: 3
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -2032.348292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.348292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.119891 (E_RNA)
where:
Base-Base interactions energy: -1428.676
where: short stacking energy: -577.947
Base-Backbone interact. energy: 1.762
local terms energy: -621.205908
where:
bonds (distance) C4'-P energy: -116.661
bonds (distance) P-C4' energy: -117.818
flat angles C4'-P-C4' energy: -132.383
flat angles P-C4'-P energy: -83.837
tors. eta vs tors. theta energy: -170.507
Dist. restrs. and SS energy: 15.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -1972.517282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.517282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.452832 (E_RNA)
where:
Base-Base interactions energy: -1368.368
where: short stacking energy: -587.275
Base-Backbone interact. energy: -1.905
local terms energy: -626.179140
where:
bonds (distance) C4'-P energy: -111.494
bonds (distance) P-C4' energy: -120.926
flat angles C4'-P-C4' energy: -147.649
flat angles P-C4'-P energy: -83.658
tors. eta vs tors. theta energy: -162.451
Dist. restrs. and SS energy: 23.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -1767.080325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.080325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.841039 (E_RNA)
where:
Base-Base interactions energy: -1256.709
where: short stacking energy: -513.172
Base-Backbone interact. energy: -4.050
local terms energy: -557.082245
where:
bonds (distance) C4'-P energy: -125.894
bonds (distance) P-C4' energy: -114.206
flat angles C4'-P-C4' energy: -119.073
flat angles P-C4'-P energy: -77.636
tors. eta vs tors. theta energy: -120.274
Dist. restrs. and SS energy: 50.761 (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: 5
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -2643.939803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.939803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.992489 (E_RNA)
where:
Base-Base interactions energy: -1845.803
where: short stacking energy: -762.597
Base-Backbone interact. energy: -1.401
local terms energy: -807.788448
where:
bonds (distance) C4'-P energy: -157.741
bonds (distance) P-C4' energy: -158.006
flat angles C4'-P-C4' energy: -172.783
flat angles P-C4'-P energy: -104.773
tors. eta vs tors. theta energy: -214.485
Dist. restrs. and SS energy: 11.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -2605.714198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.714198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.413740 (E_RNA)
where:
Base-Base interactions energy: -1818.191
where: short stacking energy: -797.863
Base-Backbone interact. energy: -4.156
local terms energy: -791.066636
where:
bonds (distance) C4'-P energy: -149.043
bonds (distance) P-C4' energy: -138.349
flat angles C4'-P-C4' energy: -163.406
flat angles P-C4'-P energy: -111.636
tors. eta vs tors. theta energy: -228.633
Dist. restrs. and SS energy: 7.700 (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: 8
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -2454.418585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.418585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.849764 (E_RNA)
where:
Base-Base interactions energy: -1726.047
where: short stacking energy: -739.372
Base-Backbone interact. energy: 1.999
local terms energy: -743.801602
where:
bonds (distance) C4'-P energy: -135.188
bonds (distance) P-C4' energy: -136.155
flat angles C4'-P-C4' energy: -168.514
flat angles P-C4'-P energy: -96.228
tors. eta vs tors. theta energy: -207.716
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: 4, replica: 7
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -2395.014426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.014426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.786024 (E_RNA)
where:
Base-Base interactions energy: -1679.699
where: short stacking energy: -696.918
Base-Backbone interact. energy: -1.224
local terms energy: -733.862737
where:
bonds (distance) C4'-P energy: -137.696
bonds (distance) P-C4' energy: -133.056
flat angles C4'-P-C4' energy: -148.298
flat angles P-C4'-P energy: -100.607
tors. eta vs tors. theta energy: -214.206
Dist. restrs. and SS energy: 19.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -2315.619004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.619004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.229358 (E_RNA)
where:
Base-Base interactions energy: -1631.183
where: short stacking energy: -701.056
Base-Backbone interact. energy: -1.702
local terms energy: -694.344409
where:
bonds (distance) C4'-P energy: -128.010
bonds (distance) P-C4' energy: -128.458
flat angles C4'-P-C4' energy: -155.380
flat angles P-C4'-P energy: -81.677
tors. eta vs tors. theta energy: -200.820
Dist. restrs. and SS energy: 11.610 (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: 9
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -2135.329820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.329820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.607112 (E_RNA)
where:
Base-Base interactions energy: -1482.566
where: short stacking energy: -608.290
Base-Backbone interact. energy: -2.420
local terms energy: -670.621187
where:
bonds (distance) C4'-P energy: -133.722
bonds (distance) P-C4' energy: -121.071
flat angles C4'-P-C4' energy: -141.384
flat angles P-C4'-P energy: -91.864
tors. eta vs tors. theta energy: -182.581
Dist. restrs. and SS energy: 20.277 (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: 4
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -2155.522041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.522041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.936483 (E_RNA)
where:
Base-Base interactions energy: -1509.905
where: short stacking energy: -642.991
Base-Backbone interact. energy: 0.763
local terms energy: -663.794566
where:
bonds (distance) C4'-P energy: -125.272
bonds (distance) P-C4' energy: -135.196
flat angles C4'-P-C4' energy: -141.907
flat angles P-C4'-P energy: -77.757
tors. eta vs tors. theta energy: -183.662
Dist. restrs. and SS energy: 17.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -1983.394029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.394029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.758566 (E_RNA)
where:
Base-Base interactions energy: -1402.160
where: short stacking energy: -571.798
Base-Backbone interact. energy: -4.637
local terms energy: -590.961604
where:
bonds (distance) C4'-P energy: -88.449
bonds (distance) P-C4' energy: -119.317
flat angles C4'-P-C4' energy: -128.563
flat angles P-C4'-P energy: -87.829
tors. eta vs tors. theta energy: -166.804
Dist. restrs. and SS energy: 14.365 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -1947.605921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.605921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.270031 (E_RNA)
where:
Base-Base interactions energy: -1400.578
where: short stacking energy: -576.264
Base-Backbone interact. energy: 0.374
local terms energy: -568.066547
where:
bonds (distance) C4'-P energy: -108.893
bonds (distance) P-C4' energy: -120.857
flat angles C4'-P-C4' energy: -129.992
flat angles P-C4'-P energy: -48.639
tors. eta vs tors. theta energy: -159.685
Dist. restrs. and SS energy: 20.664 (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: 1
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -1711.749120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.749120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.280177 (E_RNA)
where:
Base-Base interactions energy: -1216.434
where: short stacking energy: -512.959
Base-Backbone interact. energy: 3.206
local terms energy: -531.051742
where:
bonds (distance) C4'-P energy: -120.581
bonds (distance) P-C4' energy: -88.475
flat angles C4'-P-C4' energy: -122.722
flat angles P-C4'-P energy: -71.523
tors. eta vs tors. theta energy: -127.751
Dist. restrs. and SS energy: 32.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -2674.046135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.046135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.758230 (E_RNA)
where:
Base-Base interactions energy: -1859.980
where: short stacking energy: -784.350
Base-Backbone interact. energy: -0.440
local terms energy: -822.338073
where:
bonds (distance) C4'-P energy: -147.488
bonds (distance) P-C4' energy: -162.578
flat angles C4'-P-C4' energy: -167.675
flat angles P-C4'-P energy: -117.611
tors. eta vs tors. theta energy: -226.986
Dist. restrs. and SS energy: 8.712 (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: 5
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -2555.051975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.051975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.327608 (E_RNA)
where:
Base-Base interactions energy: -1792.206
where: short stacking energy: -750.603
Base-Backbone interact. energy: -2.505
local terms energy: -773.616819
where:
bonds (distance) C4'-P energy: -132.394
bonds (distance) P-C4' energy: -150.392
flat angles C4'-P-C4' energy: -166.201
flat angles P-C4'-P energy: -102.996
tors. eta vs tors. theta energy: -221.634
Dist. restrs. and SS energy: 13.276 (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: 7
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -2452.648451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.648451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.669627 (E_RNA)
where:
Base-Base interactions energy: -1736.758
where: short stacking energy: -726.697
Base-Backbone interact. energy: 2.422
local terms energy: -730.333810
where:
bonds (distance) C4'-P energy: -135.631
bonds (distance) P-C4' energy: -145.406
flat angles C4'-P-C4' energy: -151.710
flat angles P-C4'-P energy: -93.053
tors. eta vs tors. theta energy: -204.534
Dist. restrs. and SS energy: 12.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -2370.432662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.432662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.045619 (E_RNA)
where:
Base-Base interactions energy: -1663.578
where: short stacking energy: -710.968
Base-Backbone interact. energy: -0.442
local terms energy: -721.025782
where:
bonds (distance) C4'-P energy: -131.104
bonds (distance) P-C4' energy: -147.557
flat angles C4'-P-C4' energy: -149.000
flat angles P-C4'-P energy: -79.812
tors. eta vs tors. theta energy: -213.553
Dist. restrs. and SS energy: 14.613 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -2329.685250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.685250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.496167 (E_RNA)
where:
Base-Base interactions energy: -1622.629
where: short stacking energy: -698.932
Base-Backbone interact. energy: -2.027
local terms energy: -723.839673
where:
bonds (distance) C4'-P energy: -145.493
bonds (distance) P-C4' energy: -122.067
flat angles C4'-P-C4' energy: -141.738
flat angles P-C4'-P energy: -109.703
tors. eta vs tors. theta energy: -204.838
Dist. restrs. and SS energy: 18.811 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -2111.562014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.562014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.118127 (E_RNA)
where:
Base-Base interactions energy: -1492.599
where: short stacking energy: -622.045
Base-Backbone interact. energy: -1.661
local terms energy: -645.857589
where:
bonds (distance) C4'-P energy: -100.137
bonds (distance) P-C4' energy: -125.621
flat angles C4'-P-C4' energy: -144.560
flat angles P-C4'-P energy: -94.986
tors. eta vs tors. theta energy: -180.553
Dist. restrs. and SS energy: 28.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -2087.327447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.327447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.471234 (E_RNA)
where:
Base-Base interactions energy: -1442.831
where: short stacking energy: -606.309
Base-Backbone interact. energy: 1.554
local terms energy: -669.193970
where:
bonds (distance) C4'-P energy: -116.674
bonds (distance) P-C4' energy: -137.136
flat angles C4'-P-C4' energy: -124.746
flat angles P-C4'-P energy: -103.952
tors. eta vs tors. theta energy: -186.686
Dist. restrs. and SS energy: 23.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -2000.787741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.787741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.422405 (E_RNA)
where:
Base-Base interactions energy: -1385.239
where: short stacking energy: -573.821
Base-Backbone interact. energy: 2.597
local terms energy: -633.779554
where:
bonds (distance) C4'-P energy: -135.415
bonds (distance) P-C4' energy: -127.499
flat angles C4'-P-C4' energy: -127.195
flat angles P-C4'-P energy: -83.107
tors. eta vs tors. theta energy: -160.564
Dist. restrs. and SS energy: 15.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -1941.751372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.751372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.247022 (E_RNA)
where:
Base-Base interactions energy: -1376.966
where: short stacking energy: -571.037
Base-Backbone interact. energy: -1.527
local terms energy: -584.753717
where:
bonds (distance) C4'-P energy: -99.918
bonds (distance) P-C4' energy: -117.558
flat angles C4'-P-C4' energy: -124.399
flat angles P-C4'-P energy: -72.221
tors. eta vs tors. theta energy: -170.658
Dist. restrs. and SS energy: 21.496 (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: 42
Temperature: 1.350000
Total energy: -1748.683782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.683782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.360441 (E_RNA)
where:
Base-Base interactions energy: -1253.670
where: short stacking energy: -513.521
Base-Backbone interact. energy: -2.308
local terms energy: -527.382275
where:
bonds (distance) C4'-P energy: -98.191
bonds (distance) P-C4' energy: -104.557
flat angles C4'-P-C4' energy: -119.714
flat angles P-C4'-P energy: -74.788
tors. eta vs tors. theta energy: -130.132
Dist. restrs. and SS energy: 34.677 (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: 10
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -2618.084331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.084331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.677531 (E_RNA)
where:
Base-Base interactions energy: -1836.687
where: short stacking energy: -805.583
Base-Backbone interact. energy: -3.256
local terms energy: -789.734451
where:
bonds (distance) C4'-P energy: -142.520
bonds (distance) P-C4' energy: -143.132
flat angles C4'-P-C4' energy: -159.244
flat angles P-C4'-P energy: -116.456
tors. eta vs tors. theta energy: -228.382
Dist. restrs. and SS energy: 11.593 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -2556.266538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.266538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.108971 (E_RNA)
where:
Base-Base interactions energy: -1783.268
where: short stacking energy: -755.342
Base-Backbone interact. energy: -3.405
local terms energy: -779.435777
where:
bonds (distance) C4'-P energy: -131.710
bonds (distance) P-C4' energy: -152.060
flat angles C4'-P-C4' energy: -158.021
flat angles P-C4'-P energy: -114.166
tors. eta vs tors. theta energy: -223.480
Dist. restrs. and SS energy: 9.842 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -2473.312790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.312790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.070894 (E_RNA)
where:
Base-Base interactions energy: -1733.048
where: short stacking energy: -758.064
Base-Backbone interact. energy: 1.542
local terms energy: -757.565088
where:
bonds (distance) C4'-P energy: -126.511
bonds (distance) P-C4' energy: -142.699
flat angles C4'-P-C4' energy: -152.179
flat angles P-C4'-P energy: -116.156
tors. eta vs tors. theta energy: -220.020
Dist. restrs. and SS energy: 15.758 (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: 8
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -2374.164060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.164060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.057435 (E_RNA)
where:
Base-Base interactions energy: -1646.619
where: short stacking energy: -705.252
Base-Backbone interact. energy: 1.548
local terms energy: -744.986537
where:
bonds (distance) C4'-P energy: -143.917
bonds (distance) P-C4' energy: -129.069
flat angles C4'-P-C4' energy: -156.074
flat angles P-C4'-P energy: -97.600
tors. eta vs tors. theta energy: -218.326
Dist. restrs. and SS energy: 15.893 (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: 2
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -2311.596646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.596646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.309662 (E_RNA)
where:
Base-Base interactions energy: -1587.326
where: short stacking energy: -677.859
Base-Backbone interact. energy: -2.214
local terms energy: -734.769508
where:
bonds (distance) C4'-P energy: -134.144
bonds (distance) P-C4' energy: -137.964
flat angles C4'-P-C4' energy: -159.393
flat angles P-C4'-P energy: -98.240
tors. eta vs tors. theta energy: -205.028
Dist. restrs. and SS energy: 12.713 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -2185.171900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.171900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.000905 (E_RNA)
where:
Base-Base interactions energy: -1534.077
where: short stacking energy: -658.402
Base-Backbone interact. energy: 0.735
local terms energy: -667.659115
where:
bonds (distance) C4'-P energy: -132.933
bonds (distance) P-C4' energy: -121.902
flat angles C4'-P-C4' energy: -151.500
flat angles P-C4'-P energy: -81.395
tors. eta vs tors. theta energy: -179.929
Dist. restrs. and SS energy: 15.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -2049.934179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.934179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.709635 (E_RNA)
where:
Base-Base interactions energy: -1404.302
where: short stacking energy: -594.610
Base-Backbone interact. energy: -1.101
local terms energy: -665.306781
where:
bonds (distance) C4'-P energy: -108.378
bonds (distance) P-C4' energy: -132.125
flat angles C4'-P-C4' energy: -161.137
flat angles P-C4'-P energy: -89.197
tors. eta vs tors. theta energy: -174.470
Dist. restrs. and SS energy: 20.775 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -2077.406880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.406880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.592870 (E_RNA)
where:
Base-Base interactions energy: -1480.110
where: short stacking energy: -614.873
Base-Backbone interact. energy: -3.268
local terms energy: -610.215264
where:
bonds (distance) C4'-P energy: -111.657
bonds (distance) P-C4' energy: -97.892
flat angles C4'-P-C4' energy: -119.255
flat angles P-C4'-P energy: -95.128
tors. eta vs tors. theta energy: -186.283
Dist. restrs. and SS energy: 16.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -1952.117961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.117961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.210804 (E_RNA)
where:
Base-Base interactions energy: -1374.191
where: short stacking energy: -580.896
Base-Backbone interact. energy: -0.992
local terms energy: -597.027847
where:
bonds (distance) C4'-P energy: -102.954
bonds (distance) P-C4' energy: -87.545
flat angles C4'-P-C4' energy: -133.459
flat angles P-C4'-P energy: -89.532
tors. eta vs tors. theta energy: -183.538
Dist. restrs. and SS energy: 20.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -1723.672853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.672853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.401625 (E_RNA)
where:
Base-Base interactions energy: -1216.463
where: short stacking energy: -510.142
Base-Backbone interact. energy: -3.817
local terms energy: -538.121869
where:
bonds (distance) C4'-P energy: -119.502
bonds (distance) P-C4' energy: -120.939
flat angles C4'-P-C4' energy: -133.998
flat angles P-C4'-P energy: -36.616
tors. eta vs tors. theta energy: -127.066
Dist. restrs. and SS energy: 34.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -2614.011804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.011804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.773363 (E_RNA)
where:
Base-Base interactions energy: -1819.503
where: short stacking energy: -759.178
Base-Backbone interact. energy: 4.046
local terms energy: -805.316438
where:
bonds (distance) C4'-P energy: -144.293
bonds (distance) P-C4' energy: -156.296
flat angles C4'-P-C4' energy: -159.388
flat angles P-C4'-P energy: -119.937
tors. eta vs tors. theta energy: -225.403
Dist. restrs. and SS energy: 6.762 (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: 5
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -2532.181492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.181492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.059146 (E_RNA)
where:
Base-Base interactions energy: -1766.371
where: short stacking energy: -713.416
Base-Backbone interact. energy: 2.197
local terms energy: -773.884937
where:
bonds (distance) C4'-P energy: -151.754
bonds (distance) P-C4' energy: -149.838
flat angles C4'-P-C4' energy: -147.923
flat angles P-C4'-P energy: -109.120
tors. eta vs tors. theta energy: -215.250
Dist. restrs. and SS energy: 5.878 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -2496.772482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.772482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.014831 (E_RNA)
where:
Base-Base interactions energy: -1759.662
where: short stacking energy: -740.221
Base-Backbone interact. energy: -0.093
local terms energy: -753.260018
where:
bonds (distance) C4'-P energy: -139.998
bonds (distance) P-C4' energy: -133.141
flat angles C4'-P-C4' energy: -155.916
flat angles P-C4'-P energy: -103.949
tors. eta vs tors. theta energy: -220.256
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: 4, replica: 8
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -2382.104570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.104570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.619434 (E_RNA)
where:
Base-Base interactions energy: -1659.575
where: short stacking energy: -726.546
Base-Backbone interact. energy: -2.288
local terms energy: -736.756353
where:
bonds (distance) C4'-P energy: -150.580
bonds (distance) P-C4' energy: -123.999
flat angles C4'-P-C4' energy: -149.477
flat angles P-C4'-P energy: -99.111
tors. eta vs tors. theta energy: -213.590
Dist. restrs. and SS energy: 16.515 (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: 2
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -2263.918361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.918361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.336496 (E_RNA)
where:
Base-Base interactions energy: -1571.487
where: short stacking energy: -677.052
Base-Backbone interact. energy: -2.770
local terms energy: -702.079294
where:
bonds (distance) C4'-P energy: -118.071
bonds (distance) P-C4' energy: -139.181
flat angles C4'-P-C4' energy: -150.988
flat angles P-C4'-P energy: -99.540
tors. eta vs tors. theta energy: -194.299
Dist. restrs. and SS energy: 12.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -2103.068460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.068460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.683954 (E_RNA)
where:
Base-Base interactions energy: -1474.321
where: short stacking energy: -630.782
Base-Backbone interact. energy: -1.265
local terms energy: -647.098696
where:
bonds (distance) C4'-P energy: -142.757
bonds (distance) P-C4' energy: -117.600
flat angles C4'-P-C4' energy: -120.703
flat angles P-C4'-P energy: -89.684
tors. eta vs tors. theta energy: -176.354
Dist. restrs. and SS energy: 19.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -2190.669910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.669910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.593718 (E_RNA)
where:
Base-Base interactions energy: -1525.709
where: short stacking energy: -649.032
Base-Backbone interact. energy: -3.027
local terms energy: -680.857631
where:
bonds (distance) C4'-P energy: -148.612
bonds (distance) P-C4' energy: -120.273
flat angles C4'-P-C4' energy: -143.452
flat angles P-C4'-P energy: -85.046
tors. eta vs tors. theta energy: -183.473
Dist. restrs. and SS energy: 18.924 (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: 4
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -2032.125994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.125994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.980186 (E_RNA)
where:
Base-Base interactions energy: -1473.297
where: short stacking energy: -616.525
Base-Backbone interact. energy: 0.678
local terms energy: -580.361243
where:
bonds (distance) C4'-P energy: -100.072
bonds (distance) P-C4' energy: -108.821
flat angles C4'-P-C4' energy: -139.353
flat angles P-C4'-P energy: -71.699
tors. eta vs tors. theta energy: -160.417
Dist. restrs. and SS energy: 20.854 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -1947.310230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.310230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.231231 (E_RNA)
where:
Base-Base interactions energy: -1379.886
where: short stacking energy: -604.876
Base-Backbone interact. energy: 0.246
local terms energy: -597.591360
where:
bonds (distance) C4'-P energy: -112.439
bonds (distance) P-C4' energy: -104.469
flat angles C4'-P-C4' energy: -131.002
flat angles P-C4'-P energy: -85.186
tors. eta vs tors. theta energy: -164.495
Dist. restrs. and SS energy: 29.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -1765.246765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.246765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.965712 (E_RNA)
where:
Base-Base interactions energy: -1243.840
where: short stacking energy: -526.420
Base-Backbone interact. energy: 6.423
local terms energy: -552.548439
where:
bonds (distance) C4'-P energy: -109.894
bonds (distance) P-C4' energy: -102.306
flat angles C4'-P-C4' energy: -133.680
flat angles P-C4'-P energy: -68.708
tors. eta vs tors. theta energy: -137.960
Dist. restrs. and SS energy: 24.719 (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: 45
Temperature: 0.900000
Total energy: -2659.275577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.275577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.040988 (E_RNA)
where:
Base-Base interactions energy: -1872.755
where: short stacking energy: -781.673
Base-Backbone interact. energy: -2.792
local terms energy: -790.494238
where:
bonds (distance) C4'-P energy: -129.955
bonds (distance) P-C4' energy: -140.785
flat angles C4'-P-C4' energy: -175.768
flat angles P-C4'-P energy: -113.451
tors. eta vs tors. theta energy: -230.534
Dist. restrs. and SS energy: 6.765 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -2543.738422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.738422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.697636 (E_RNA)
where:
Base-Base interactions energy: -1797.376
where: short stacking energy: -743.963
Base-Backbone interact. energy: -0.534
local terms energy: -751.787371
where:
bonds (distance) C4'-P energy: -133.127
bonds (distance) P-C4' energy: -138.149
flat angles C4'-P-C4' energy: -167.048
flat angles P-C4'-P energy: -100.044
tors. eta vs tors. theta energy: -213.418
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: 3, replica: 7
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -2529.377983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.377983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.975778 (E_RNA)
where:
Base-Base interactions energy: -1786.427
where: short stacking energy: -743.857
Base-Backbone interact. energy: -2.177
local terms energy: -751.372187
where:
bonds (distance) C4'-P energy: -141.132
bonds (distance) P-C4' energy: -119.572
flat angles C4'-P-C4' energy: -163.876
flat angles P-C4'-P energy: -101.554
tors. eta vs tors. theta energy: -225.238
Dist. restrs. and SS energy: 10.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -2332.825685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.825685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.302887 (E_RNA)
where:
Base-Base interactions energy: -1644.470
where: short stacking energy: -697.556
Base-Backbone interact. energy: -2.062
local terms energy: -699.770939
where:
bonds (distance) C4'-P energy: -116.902
bonds (distance) P-C4' energy: -134.402
flat angles C4'-P-C4' energy: -157.317
flat angles P-C4'-P energy: -96.279
tors. eta vs tors. theta energy: -194.871
Dist. restrs. and SS energy: 13.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -2254.210938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.210938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.584408 (E_RNA)
where:
Base-Base interactions energy: -1555.985
where: short stacking energy: -676.675
Base-Backbone interact. energy: -1.571
local terms energy: -714.028698
where:
bonds (distance) C4'-P energy: -130.072
bonds (distance) P-C4' energy: -132.811
flat angles C4'-P-C4' energy: -155.565
flat angles P-C4'-P energy: -91.560
tors. eta vs tors. theta energy: -204.020
Dist. restrs. and SS energy: 17.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -2147.642702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.642702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.784298 (E_RNA)
where:
Base-Base interactions energy: -1508.382
where: short stacking energy: -611.585
Base-Backbone interact. energy: -1.584
local terms energy: -652.817852
where:
bonds (distance) C4'-P energy: -120.287
bonds (distance) P-C4' energy: -130.830
flat angles C4'-P-C4' energy: -141.420
flat angles P-C4'-P energy: -82.281
tors. eta vs tors. theta energy: -178.000
Dist. restrs. and SS energy: 15.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -2116.355984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.355984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.504680 (E_RNA)
where:
Base-Base interactions energy: -1474.309
where: short stacking energy: -638.773
Base-Backbone interact. energy: -2.698
local terms energy: -661.497969
where:
bonds (distance) C4'-P energy: -119.574
bonds (distance) P-C4' energy: -124.915
flat angles C4'-P-C4' energy: -164.922
flat angles P-C4'-P energy: -69.257
tors. eta vs tors. theta energy: -182.830
Dist. restrs. and SS energy: 22.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -2000.323161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.323161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.867307 (E_RNA)
where:
Base-Base interactions energy: -1440.206
where: short stacking energy: -603.757
Base-Backbone interact. energy: 0.401
local terms energy: -591.062509
where:
bonds (distance) C4'-P energy: -115.779
bonds (distance) P-C4' energy: -111.431
flat angles C4'-P-C4' energy: -127.775
flat angles P-C4'-P energy: -74.605
tors. eta vs tors. theta energy: -161.472
Dist. restrs. and SS energy: 30.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -1922.250545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.250545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.659491 (E_RNA)
where:
Base-Base interactions energy: -1324.155
where: short stacking energy: -555.073
Base-Backbone interact. energy: -2.377
local terms energy: -614.127403
where:
bonds (distance) C4'-P energy: -105.319
bonds (distance) P-C4' energy: -127.584
flat angles C4'-P-C4' energy: -145.029
flat angles P-C4'-P energy: -79.114
tors. eta vs tors. theta energy: -157.082
Dist. restrs. and SS energy: 18.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -1798.211913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.211913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.271750 (E_RNA)
where:
Base-Base interactions energy: -1276.341
where: short stacking energy: -529.562
Base-Backbone interact. energy: -1.913
local terms energy: -560.017520
where:
bonds (distance) C4'-P energy: -108.750
bonds (distance) P-C4' energy: -98.960
flat angles C4'-P-C4' energy: -135.226
flat angles P-C4'-P energy: -68.923
tors. eta vs tors. theta energy: -148.158
Dist. restrs. and SS energy: 40.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -2668.418206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.418206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.416528 (E_RNA)
where:
Base-Base interactions energy: -1855.331
where: short stacking energy: -799.911
Base-Backbone interact. energy: -3.607
local terms energy: -815.479332
where:
bonds (distance) C4'-P energy: -141.630
bonds (distance) P-C4' energy: -160.266
flat angles C4'-P-C4' energy: -170.211
flat angles P-C4'-P energy: -109.411
tors. eta vs tors. theta energy: -233.962
Dist. restrs. and SS energy: 5.998 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -2554.815889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.815889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.878775 (E_RNA)
where:
Base-Base interactions energy: -1783.024
where: short stacking energy: -754.759
Base-Backbone interact. energy: -2.760
local terms energy: -779.094495
where:
bonds (distance) C4'-P energy: -136.001
bonds (distance) P-C4' energy: -153.214
flat angles C4'-P-C4' energy: -165.727
flat angles P-C4'-P energy: -112.423
tors. eta vs tors. theta energy: -211.730
Dist. restrs. and SS energy: 10.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -2498.019520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.019520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.763637 (E_RNA)
where:
Base-Base interactions energy: -1742.698
where: short stacking energy: -722.329
Base-Backbone interact. energy: -2.265
local terms energy: -766.800611
where:
bonds (distance) C4'-P energy: -150.567
bonds (distance) P-C4' energy: -143.585
flat angles C4'-P-C4' energy: -157.822
flat angles P-C4'-P energy: -102.315
tors. eta vs tors. theta energy: -212.513
Dist. restrs. and SS energy: 13.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -2360.067422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.067422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.162797 (E_RNA)
where:
Base-Base interactions energy: -1670.071
where: short stacking energy: -707.536
Base-Backbone interact. energy: -4.408
local terms energy: -704.683696
where:
bonds (distance) C4'-P energy: -113.620
bonds (distance) P-C4' energy: -129.012
flat angles C4'-P-C4' energy: -160.898
flat angles P-C4'-P energy: -91.471
tors. eta vs tors. theta energy: -209.682
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: 5, replica: 2
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -2308.577305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.577305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.505486 (E_RNA)
where:
Base-Base interactions energy: -1593.449
where: short stacking energy: -670.836
Base-Backbone interact. energy: -0.612
local terms energy: -729.444784
where:
bonds (distance) C4'-P energy: -141.126
bonds (distance) P-C4' energy: -150.400
flat angles C4'-P-C4' energy: -140.177
flat angles P-C4'-P energy: -93.700
tors. eta vs tors. theta energy: -204.041
Dist. restrs. and SS energy: 14.928 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -2161.047766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.047766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.186806 (E_RNA)
where:
Base-Base interactions energy: -1530.954
where: short stacking energy: -623.702
Base-Backbone interact. energy: 3.955
local terms energy: -654.188222
where:
bonds (distance) C4'-P energy: -118.907
bonds (distance) P-C4' energy: -131.421
flat angles C4'-P-C4' energy: -138.471
flat angles P-C4'-P energy: -86.168
tors. eta vs tors. theta energy: -179.222
Dist. restrs. and SS energy: 20.139 (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: 46
Temperature: 1.200000
Total energy: -2144.277088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.277088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.651380 (E_RNA)
where:
Base-Base interactions energy: -1477.978
where: short stacking energy: -626.711
Base-Backbone interact. energy: -0.681
local terms energy: -686.992179
where:
bonds (distance) C4'-P energy: -130.226
bonds (distance) P-C4' energy: -135.447
flat angles C4'-P-C4' energy: -150.483
flat angles P-C4'-P energy: -94.569
tors. eta vs tors. theta energy: -176.267
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: 8, replica: 4
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -2036.061503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.061503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.245795 (E_RNA)
where:
Base-Base interactions energy: -1414.211
where: short stacking energy: -605.763
Base-Backbone interact. energy: -2.663
local terms energy: -641.372536
where:
bonds (distance) C4'-P energy: -109.097
bonds (distance) P-C4' energy: -115.213
flat angles C4'-P-C4' energy: -143.164
flat angles P-C4'-P energy: -98.575
tors. eta vs tors. theta energy: -175.324
Dist. restrs. and SS energy: 22.184 (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: 46
Temperature: 1.300000
Total energy: -1878.160437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.160437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.129443 (E_RNA)
where:
Base-Base interactions energy: -1327.455
where: short stacking energy: -555.665
Base-Backbone interact. energy: -1.709
local terms energy: -572.965355
where:
bonds (distance) C4'-P energy: -107.525
bonds (distance) P-C4' energy: -98.437
flat angles C4'-P-C4' energy: -140.796
flat angles P-C4'-P energy: -76.507
tors. eta vs tors. theta energy: -149.700
Dist. restrs. and SS energy: 23.969 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -1816.921933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.921933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.591683 (E_RNA)
where:
Base-Base interactions energy: -1298.180
where: short stacking energy: -536.361
Base-Backbone interact. energy: 2.690
local terms energy: -555.102386
where:
bonds (distance) C4'-P energy: -98.688
bonds (distance) P-C4' energy: -105.063
flat angles C4'-P-C4' energy: -135.435
flat angles P-C4'-P energy: -68.961
tors. eta vs tors. theta energy: -146.955
Dist. restrs. and SS energy: 33.670 (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: 10
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -2651.295207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.295207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.707494 (E_RNA)
where:
Base-Base interactions energy: -1853.469
where: short stacking energy: -794.986
Base-Backbone interact. energy: 1.993
local terms energy: -806.230901
where:
bonds (distance) C4'-P energy: -145.419
bonds (distance) P-C4' energy: -147.185
flat angles C4'-P-C4' energy: -165.692
flat angles P-C4'-P energy: -122.255
tors. eta vs tors. theta energy: -225.680
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: 2, replica: 5
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -2559.096408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.096408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.486547 (E_RNA)
where:
Base-Base interactions energy: -1783.815
where: short stacking energy: -740.568
Base-Backbone interact. energy: -0.861
local terms energy: -781.810274
where:
bonds (distance) C4'-P energy: -141.477
bonds (distance) P-C4' energy: -151.835
flat angles C4'-P-C4' energy: -155.091
flat angles P-C4'-P energy: -114.134
tors. eta vs tors. theta energy: -219.273
Dist. restrs. and SS energy: 7.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -2491.800657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.800657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.644529 (E_RNA)
where:
Base-Base interactions energy: -1757.949
where: short stacking energy: -730.160
Base-Backbone interact. energy: -3.171
local terms energy: -743.524489
where:
bonds (distance) C4'-P energy: -136.171
bonds (distance) P-C4' energy: -144.166
flat angles C4'-P-C4' energy: -149.031
flat angles P-C4'-P energy: -106.398
tors. eta vs tors. theta energy: -207.758
Dist. restrs. and SS energy: 12.844 (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: 8
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -2395.839041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.839041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.693981 (E_RNA)
where:
Base-Base interactions energy: -1683.811
where: short stacking energy: -722.785
Base-Backbone interact. energy: -3.340
local terms energy: -721.542337
where:
bonds (distance) C4'-P energy: -118.698
bonds (distance) P-C4' energy: -121.983
flat angles C4'-P-C4' energy: -156.745
flat angles P-C4'-P energy: -105.668
tors. eta vs tors. theta energy: -218.448
Dist. restrs. and SS energy: 12.855 (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: 2
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -2306.083250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.083250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.294306 (E_RNA)
where:
Base-Base interactions energy: -1598.842
where: short stacking energy: -685.055
Base-Backbone interact. energy: -2.225
local terms energy: -719.227585
where:
bonds (distance) C4'-P energy: -117.938
bonds (distance) P-C4' energy: -139.637
flat angles C4'-P-C4' energy: -157.019
flat angles P-C4'-P energy: -99.249
tors. eta vs tors. theta energy: -205.385
Dist. restrs. and SS energy: 14.211 (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: 47
Temperature: 1.150000
Total energy: -2170.771442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.771442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.686674 (E_RNA)
where:
Base-Base interactions energy: -1537.458
where: short stacking energy: -642.290
Base-Backbone interact. energy: 3.209
local terms energy: -654.437855
where:
bonds (distance) C4'-P energy: -121.954
bonds (distance) P-C4' energy: -115.575
flat angles C4'-P-C4' energy: -150.927
flat angles P-C4'-P energy: -87.733
tors. eta vs tors. theta energy: -178.248
Dist. restrs. and SS energy: 17.915 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -2152.451238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.451238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.214709 (E_RNA)
where:
Base-Base interactions energy: -1518.122
where: short stacking energy: -636.023
Base-Backbone interact. energy: -3.409
local terms energy: -648.683543
where:
bonds (distance) C4'-P energy: -122.718
bonds (distance) P-C4' energy: -130.622
flat angles C4'-P-C4' energy: -127.348
flat angles P-C4'-P energy: -83.122
tors. eta vs tors. theta energy: -184.872
Dist. restrs. and SS energy: 17.763 (S_DIST_RNA)
chem. 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: -2067.398524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.398524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.936974 (E_RNA)
where:
Base-Base interactions energy: -1453.963
where: short stacking energy: -591.210
Base-Backbone interact. energy: -3.940
local terms energy: -620.033802
where:
bonds (distance) C4'-P energy: -118.295
bonds (distance) P-C4' energy: -106.151
flat angles C4'-P-C4' energy: -134.136
flat angles P-C4'-P energy: -77.703
tors. eta vs tors. theta energy: -183.749
Dist. restrs. and SS energy: 10.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -1846.398782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.398782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.108079 (E_RNA)
where:
Base-Base interactions energy: -1320.512
where: short stacking energy: -518.506
Base-Backbone interact. energy: -3.382
local terms energy: -546.214010
where:
bonds (distance) C4'-P energy: -101.974
bonds (distance) P-C4' energy: -94.767
flat angles C4'-P-C4' energy: -126.517
flat angles P-C4'-P energy: -72.709
tors. eta vs tors. theta energy: -150.247
Dist. restrs. and SS energy: 23.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -1831.025079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.025079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.060997 (E_RNA)
where:
Base-Base interactions energy: -1287.701
where: short stacking energy: -551.887
Base-Backbone interact. energy: 2.198
local terms energy: -571.558106
where:
bonds (distance) C4'-P energy: -107.612
bonds (distance) P-C4' energy: -125.138
flat angles C4'-P-C4' energy: -113.912
flat angles P-C4'-P energy: -73.447
tors. eta vs tors. theta energy: -151.449
Dist. restrs. and SS energy: 26.036 (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: 10
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -2666.255896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.255896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.449471 (E_RNA)
where:
Base-Base interactions energy: -1830.917
where: short stacking energy: -766.202
Base-Backbone interact. energy: -0.375
local terms energy: -839.157322
where:
bonds (distance) C4'-P energy: -162.928
bonds (distance) P-C4' energy: -147.250
flat angles C4'-P-C4' energy: -175.799
flat angles P-C4'-P energy: -118.539
tors. eta vs tors. theta energy: -234.642
Dist. restrs. and SS energy: 4.194 (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: 48
Temperature: 0.950000
Total energy: -2514.128639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.128639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.703213 (E_RNA)
where:
Base-Base interactions energy: -1738.594
where: short stacking energy: -724.384
Base-Backbone interact. energy: -5.247
local terms energy: -783.862083
where:
bonds (distance) C4'-P energy: -161.565
bonds (distance) P-C4' energy: -138.893
flat angles C4'-P-C4' energy: -164.749
flat angles P-C4'-P energy: -103.074
tors. eta vs tors. theta energy: -215.581
Dist. restrs. and SS energy: 13.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -2483.340086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.340086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.337103 (E_RNA)
where:
Base-Base interactions energy: -1739.635
where: short stacking energy: -758.119
Base-Backbone interact. energy: -2.211
local terms energy: -754.491081
where:
bonds (distance) C4'-P energy: -139.129
bonds (distance) P-C4' energy: -142.462
flat angles C4'-P-C4' energy: -155.084
flat angles P-C4'-P energy: -106.564
tors. eta vs tors. theta energy: -211.251
Dist. restrs. and SS energy: 12.997 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -2390.149557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.149557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.752339 (E_RNA)
where:
Base-Base interactions energy: -1694.819
where: short stacking energy: -709.175
Base-Backbone interact. energy: -1.063
local terms energy: -702.869779
where:
bonds (distance) C4'-P energy: -97.421
bonds (distance) P-C4' energy: -135.859
flat angles C4'-P-C4' energy: -154.295
flat angles P-C4'-P energy: -101.189
tors. eta vs tors. theta energy: -214.105
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: 5, replica: 2
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -2324.775276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.775276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.744161 (E_RNA)
where:
Base-Base interactions energy: -1609.266
where: short stacking energy: -700.987
Base-Backbone interact. energy: 0.699
local terms energy: -731.176625
where:
bonds (distance) C4'-P energy: -133.936
bonds (distance) P-C4' energy: -140.314
flat angles C4'-P-C4' energy: -142.981
flat angles P-C4'-P energy: -98.964
tors. eta vs tors. theta energy: -214.981
Dist. restrs. and SS energy: 14.969 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -2212.631507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.631507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.270298 (E_RNA)
where:
Base-Base interactions energy: -1572.967
where: short stacking energy: -646.570
Base-Backbone interact. energy: -2.341
local terms energy: -655.962623
where:
bonds (distance) C4'-P energy: -112.650
bonds (distance) P-C4' energy: -130.271
flat angles C4'-P-C4' energy: -144.807
flat angles P-C4'-P energy: -88.734
tors. eta vs tors. theta energy: -179.500
Dist. restrs. and SS energy: 18.639 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -2151.936990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.936990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.770282 (E_RNA)
where:
Base-Base interactions energy: -1522.852
where: short stacking energy: -659.416
Base-Backbone interact. energy: 8.756
local terms energy: -653.674418
where:
bonds (distance) C4'-P energy: -108.335
bonds (distance) P-C4' energy: -125.761
flat angles C4'-P-C4' energy: -150.525
flat angles P-C4'-P energy: -82.865
tors. eta vs tors. theta energy: -186.189
Dist. restrs. and SS energy: 15.833 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -2041.743784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.743784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.828002 (E_RNA)
where:
Base-Base interactions energy: -1452.525
where: short stacking energy: -597.081
Base-Backbone interact. energy: 2.823
local terms energy: -603.125227
where:
bonds (distance) C4'-P energy: -103.171
bonds (distance) P-C4' energy: -109.288
flat angles C4'-P-C4' energy: -131.554
flat angles P-C4'-P energy: -86.887
tors. eta vs tors. theta energy: -172.226
Dist. restrs. and SS energy: 11.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -1914.747760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.747760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.707966 (E_RNA)
where:
Base-Base interactions energy: -1317.846
where: short stacking energy: -537.468
Base-Backbone interact. energy: -2.700
local terms energy: -621.161958
where:
bonds (distance) C4'-P energy: -124.471
bonds (distance) P-C4' energy: -134.146
flat angles C4'-P-C4' energy: -138.728
flat angles P-C4'-P energy: -72.448
tors. eta vs tors. theta energy: -151.368
Dist. restrs. and SS energy: 26.960 (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: 48
Temperature: 1.350000
Total energy: -1890.672121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.672121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.828902 (E_RNA)
where:
Base-Base interactions energy: -1321.495
where: short stacking energy: -540.512
Base-Backbone interact. energy: -2.979
local terms energy: -587.355031
where:
bonds (distance) C4'-P energy: -99.406
bonds (distance) P-C4' energy: -123.386
flat angles C4'-P-C4' energy: -122.333
flat angles P-C4'-P energy: -80.026
tors. eta vs tors. theta energy: -162.204
Dist. restrs. and SS energy: 21.157 (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: 10
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -2649.209594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.209594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.381752 (E_RNA)
where:
Base-Base interactions energy: -1843.121
where: short stacking energy: -789.580
Base-Backbone interact. energy: -3.987
local terms energy: -809.273734
where:
bonds (distance) C4'-P energy: -137.362
bonds (distance) P-C4' energy: -154.784
flat angles C4'-P-C4' energy: -168.720
flat angles P-C4'-P energy: -113.398
tors. eta vs tors. theta energy: -235.009
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: 2, replica: 7
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -2566.276348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.276348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.916942 (E_RNA)
where:
Base-Base interactions energy: -1794.448
where: short stacking energy: -758.992
Base-Backbone interact. energy: -2.722
local terms energy: -784.746889
where:
bonds (distance) C4'-P energy: -152.021
bonds (distance) P-C4' energy: -147.882
flat angles C4'-P-C4' energy: -162.521
flat angles P-C4'-P energy: -103.873
tors. eta vs tors. theta energy: -218.450
Dist. restrs. and SS energy: 15.641 (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: 5
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -2467.720282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.720282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.296303 (E_RNA)
where:
Base-Base interactions energy: -1738.381
where: short stacking energy: -727.453
Base-Backbone interact. energy: -3.351
local terms energy: -735.563466
where:
bonds (distance) C4'-P energy: -132.688
bonds (distance) P-C4' energy: -145.618
flat angles C4'-P-C4' energy: -152.570
flat angles P-C4'-P energy: -93.985
tors. eta vs tors. theta energy: -210.703
Dist. restrs. and SS energy: 9.576 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -2396.319871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.319871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.400644 (E_RNA)
where:
Base-Base interactions energy: -1680.041
where: short stacking energy: -722.804
Base-Backbone interact. energy: 2.677
local terms energy: -728.036709
where:
bonds (distance) C4'-P energy: -137.319
bonds (distance) P-C4' energy: -140.313
flat angles C4'-P-C4' energy: -143.057
flat angles P-C4'-P energy: -100.166
tors. eta vs tors. theta energy: -207.183
Dist. restrs. and SS energy: 9.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -2365.934367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.934367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.874771 (E_RNA)
where:
Base-Base interactions energy: -1653.464
where: short stacking energy: -696.470
Base-Backbone interact. energy: -1.306
local terms energy: -722.104810
where:
bonds (distance) C4'-P energy: -128.486
bonds (distance) P-C4' energy: -127.964
flat angles C4'-P-C4' energy: -151.271
flat angles P-C4'-P energy: -92.194
tors. eta vs tors. theta energy: -222.189
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: 9
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -2156.946999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.946999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.350218 (E_RNA)
where:
Base-Base interactions energy: -1506.935
where: short stacking energy: -625.464
Base-Backbone interact. energy: -4.630
local terms energy: -665.785459
where:
bonds (distance) C4'-P energy: -117.218
bonds (distance) P-C4' energy: -130.319
flat angles C4'-P-C4' energy: -130.421
flat angles P-C4'-P energy: -95.176
tors. eta vs tors. theta energy: -192.652
Dist. restrs. and SS energy: 20.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -2157.244368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.244368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.869187 (E_RNA)
where:
Base-Base interactions energy: -1520.798
where: short stacking energy: -623.722
Base-Backbone interact. energy: 2.203
local terms energy: -653.274325
where:
bonds (distance) C4'-P energy: -132.384
bonds (distance) P-C4' energy: -117.656
flat angles C4'-P-C4' energy: -140.443
flat angles P-C4'-P energy: -80.625
tors. eta vs tors. theta energy: -182.167
Dist. restrs. and SS energy: 14.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -2028.444588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.444588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.851589 (E_RNA)
where:
Base-Base interactions energy: -1446.868
where: short stacking energy: -586.206
Base-Backbone interact. energy: -4.857
local terms energy: -592.126328
where:
bonds (distance) C4'-P energy: -99.446
bonds (distance) P-C4' energy: -128.481
flat angles C4'-P-C4' energy: -119.652
flat angles P-C4'-P energy: -71.955
tors. eta vs tors. theta energy: -172.593
Dist. restrs. and SS energy: 15.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -1937.094337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.094337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.788925 (E_RNA)
where:
Base-Base interactions energy: -1359.815
where: short stacking energy: -560.566
Base-Backbone interact. energy: -1.037
local terms energy: -598.936657
where:
bonds (distance) C4'-P energy: -103.747
bonds (distance) P-C4' energy: -123.225
flat angles C4'-P-C4' energy: -126.824
flat angles P-C4'-P energy: -79.276
tors. eta vs tors. theta energy: -165.864
Dist. restrs. and SS energy: 22.695 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -1808.625848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.625848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.249888 (E_RNA)
where:
Base-Base interactions energy: -1264.891
where: short stacking energy: -521.993
Base-Backbone interact. energy: 3.538
local terms energy: -581.896537
where:
bonds (distance) C4'-P energy: -118.679
bonds (distance) P-C4' energy: -115.093
flat angles C4'-P-C4' energy: -138.585
flat angles P-C4'-P energy: -68.658
tors. eta vs tors. theta energy: -140.882
Dist. restrs. and SS energy: 34.624 (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: 50
Temperature: 0.900000
Total energy: -2661.528153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.528153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.164947 (E_RNA)
where:
Base-Base interactions energy: -1844.529
where: short stacking energy: -774.661
Base-Backbone interact. energy: -3.256
local terms energy: -819.380110
where:
bonds (distance) C4'-P energy: -147.596
bonds (distance) P-C4' energy: -150.097
flat angles C4'-P-C4' energy: -172.562
flat angles P-C4'-P energy: -110.570
tors. eta vs tors. theta energy: -238.554
Dist. restrs. and SS energy: 5.637 (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: 7
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -2571.456397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.456397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.596536 (E_RNA)
where:
Base-Base interactions energy: -1788.813
where: short stacking energy: -772.316
Base-Backbone interact. energy: -7.204
local terms energy: -791.579869
where:
bonds (distance) C4'-P energy: -146.093
bonds (distance) P-C4' energy: -153.516
flat angles C4'-P-C4' energy: -159.833
flat angles P-C4'-P energy: -104.688
tors. eta vs tors. theta energy: -227.450
Dist. restrs. and SS energy: 16.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -2482.447119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.447119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.992292 (E_RNA)
where:
Base-Base interactions energy: -1722.182
where: short stacking energy: -719.327
Base-Backbone interact. energy: -1.868
local terms energy: -768.942240
where:
bonds (distance) C4'-P energy: -145.907
bonds (distance) P-C4' energy: -123.059
flat angles C4'-P-C4' energy: -171.248
flat angles P-C4'-P energy: -111.516
tors. eta vs tors. theta energy: -217.212
Dist. restrs. and SS energy: 10.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -2427.928323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.928323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.457477 (E_RNA)
where:
Base-Base interactions energy: -1729.853
where: short stacking energy: -718.978
Base-Backbone interact. energy: -0.352
local terms energy: -708.252482
where:
bonds (distance) C4'-P energy: -122.821
bonds (distance) P-C4' energy: -122.033
flat angles C4'-P-C4' energy: -155.460
flat angles P-C4'-P energy: -105.360
tors. eta vs tors. theta energy: -202.578
Dist. restrs. and SS energy: 10.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -2320.188284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.188284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.821597 (E_RNA)
where:
Base-Base interactions energy: -1618.053
where: short stacking energy: -690.073
Base-Backbone interact. energy: -0.386
local terms energy: -718.382485
where:
bonds (distance) C4'-P energy: -110.421
bonds (distance) P-C4' energy: -145.302
flat angles C4'-P-C4' energy: -150.676
flat angles P-C4'-P energy: -115.270
tors. eta vs tors. theta energy: -196.713
Dist. restrs. and SS energy: 16.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -2173.794180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.794180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.695287 (E_RNA)
where:
Base-Base interactions energy: -1513.696
where: short stacking energy: -642.169
Base-Backbone interact. energy: -4.041
local terms energy: -678.958239
where:
bonds (distance) C4'-P energy: -117.988
bonds (distance) P-C4' energy: -134.970
flat angles C4'-P-C4' energy: -144.469
flat angles P-C4'-P energy: -93.720
tors. eta vs tors. theta energy: -187.811
Dist. restrs. and SS energy: 22.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -2184.360761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.360761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.616111 (E_RNA)
where:
Base-Base interactions energy: -1516.551
where: short stacking energy: -636.261
Base-Backbone interact. energy: -2.816
local terms energy: -680.248972
where:
bonds (distance) C4'-P energy: -140.275
bonds (distance) P-C4' energy: -120.123
flat angles C4'-P-C4' energy: -149.509
flat angles P-C4'-P energy: -71.412
tors. eta vs tors. theta energy: -198.930
Dist. restrs. and SS energy: 15.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -2009.869169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.869169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.331295 (E_RNA)
where:
Base-Base interactions energy: -1428.132
where: short stacking energy: -593.871
Base-Backbone interact. energy: 0.774
local terms energy: -601.972781
where:
bonds (distance) C4'-P energy: -95.782
bonds (distance) P-C4' energy: -122.336
flat angles C4'-P-C4' energy: -127.860
flat angles P-C4'-P energy: -90.170
tors. eta vs tors. theta energy: -165.824
Dist. restrs. and SS energy: 19.462 (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: 1
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -2006.075525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.075525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.694675 (E_RNA)
where:
Base-Base interactions energy: -1399.976
where: short stacking energy: -594.252
Base-Backbone interact. energy: -2.933
local terms energy: -622.785641
where:
bonds (distance) C4'-P energy: -96.980
bonds (distance) P-C4' energy: -126.061
flat angles C4'-P-C4' energy: -145.685
flat angles P-C4'-P energy: -74.259
tors. eta vs tors. theta energy: -179.801
Dist. restrs. and SS energy: 19.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -1886.819512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.819512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.326606 (E_RNA)
where:
Base-Base interactions energy: -1329.122
where: short stacking energy: -560.417
Base-Backbone interact. energy: 1.124
local terms energy: -583.328842
where:
bonds (distance) C4'-P energy: -113.792
bonds (distance) P-C4' energy: -116.627
flat angles C4'-P-C4' energy: -117.869
flat angles P-C4'-P energy: -77.032
tors. eta vs tors. theta energy: -158.010
Dist. restrs. and SS energy: 24.507 (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: 51
Temperature: 0.900000
Total energy: -2639.545190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.545190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.703224 (E_RNA)
where:
Base-Base interactions energy: -1841.399
where: short stacking energy: -785.039
Base-Backbone interact. energy: -6.008
local terms energy: -799.296127
where:
bonds (distance) C4'-P energy: -149.006
bonds (distance) P-C4' energy: -139.693
flat angles C4'-P-C4' energy: -171.823
flat angles P-C4'-P energy: -99.020
tors. eta vs tors. theta energy: -239.755
Dist. restrs. and SS energy: 7.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -2582.833638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.833638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.500406 (E_RNA)
where:
Base-Base interactions energy: -1802.564
where: short stacking energy: -786.767
Base-Backbone interact. energy: -3.229
local terms energy: -794.706695
where:
bonds (distance) C4'-P energy: -147.013
bonds (distance) P-C4' energy: -130.882
flat angles C4'-P-C4' energy: -174.056
flat angles P-C4'-P energy: -126.618
tors. eta vs tors. theta energy: -216.137
Dist. restrs. and SS energy: 17.667 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -2498.341591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.341591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.574597 (E_RNA)
where:
Base-Base interactions energy: -1725.758
where: short stacking energy: -725.341
Base-Backbone interact. energy: -1.170
local terms energy: -777.646512
where:
bonds (distance) C4'-P energy: -151.131
bonds (distance) P-C4' energy: -136.801
flat angles C4'-P-C4' energy: -156.480
flat angles P-C4'-P energy: -111.451
tors. eta vs tors. theta energy: -221.783
Dist. restrs. and SS energy: 6.233 (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: 5
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -2384.710780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.710780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.531888 (E_RNA)
where:
Base-Base interactions energy: -1677.948
where: short stacking energy: -730.186
Base-Backbone interact. energy: -2.444
local terms energy: -721.140704
where:
bonds (distance) C4'-P energy: -118.759
bonds (distance) P-C4' energy: -141.676
flat angles C4'-P-C4' energy: -158.712
flat angles P-C4'-P energy: -96.317
tors. eta vs tors. theta energy: -205.677
Dist. restrs. and SS energy: 16.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -2353.362929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.362929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.708644 (E_RNA)
where:
Base-Base interactions energy: -1639.706
where: short stacking energy: -671.527
Base-Backbone interact. energy: -3.986
local terms energy: -717.016113
where:
bonds (distance) C4'-P energy: -136.307
bonds (distance) P-C4' energy: -134.917
flat angles C4'-P-C4' energy: -143.748
flat angles P-C4'-P energy: -95.458
tors. eta vs tors. theta energy: -206.586
Dist. restrs. and SS energy: 7.346 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -2198.967962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.967962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.333006 (E_RNA)
where:
Base-Base interactions energy: -1552.164
where: short stacking energy: -627.692
Base-Backbone interact. energy: -1.907
local terms energy: -659.262691
where:
bonds (distance) C4'-P energy: -128.136
bonds (distance) P-C4' energy: -120.215
flat angles C4'-P-C4' energy: -147.253
flat angles P-C4'-P energy: -87.878
tors. eta vs tors. theta energy: -175.781
Dist. restrs. and SS energy: 14.365 (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: 51
Temperature: 1.200000
Total energy: -2176.016427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.016427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.799285 (E_RNA)
where:
Base-Base interactions energy: -1537.912
where: short stacking energy: -645.155
Base-Backbone interact. energy: 1.834
local terms energy: -657.721221
where:
bonds (distance) C4'-P energy: -113.349
bonds (distance) P-C4' energy: -125.691
flat angles C4'-P-C4' energy: -150.171
flat angles P-C4'-P energy: -74.354
tors. eta vs tors. theta energy: -194.156
Dist. restrs. and SS energy: 17.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -2059.380300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.380300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.925362 (E_RNA)
where:
Base-Base interactions energy: -1427.460
where: short stacking energy: -599.275
Base-Backbone interact. energy: 6.646
local terms energy: -656.112204
where:
bonds (distance) C4'-P energy: -124.239
bonds (distance) P-C4' energy: -142.121
flat angles C4'-P-C4' energy: -135.608
flat angles P-C4'-P energy: -82.890
tors. eta vs tors. theta energy: -171.255
Dist. restrs. and SS energy: 17.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -1934.182399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.182399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.728028 (E_RNA)
where:
Base-Base interactions energy: -1326.147
where: short stacking energy: -568.281
Base-Backbone interact. energy: -1.583
local terms energy: -633.998008
where:
bonds (distance) C4'-P energy: -115.500
bonds (distance) P-C4' energy: -130.662
flat angles C4'-P-C4' energy: -130.985
flat angles P-C4'-P energy: -92.562
tors. eta vs tors. theta energy: -164.289
Dist. restrs. and SS energy: 27.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -1928.050377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.050377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.495681 (E_RNA)
where:
Base-Base interactions energy: -1362.645
where: short stacking energy: -562.544
Base-Backbone interact. energy: -1.508
local terms energy: -593.343189
where:
bonds (distance) C4'-P energy: -106.694
bonds (distance) P-C4' energy: -109.464
flat angles C4'-P-C4' energy: -133.304
flat angles P-C4'-P energy: -80.754
tors. eta vs tors. theta energy: -163.127
Dist. restrs. and SS energy: 29.445 (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: 52
Temperature: 0.900000
Total energy: -2627.911962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.911962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.725429 (E_RNA)
where:
Base-Base interactions energy: -1808.286
where: short stacking energy: -766.462
Base-Backbone interact. energy: -3.004
local terms energy: -825.435405
where:
bonds (distance) C4'-P energy: -154.917
bonds (distance) P-C4' energy: -144.546
flat angles C4'-P-C4' energy: -164.057
flat angles P-C4'-P energy: -122.529
tors. eta vs tors. theta energy: -239.388
Dist. restrs. and SS energy: 8.813 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -2570.151012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.151012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.445660 (E_RNA)
where:
Base-Base interactions energy: -1801.518
where: short stacking energy: -765.861
Base-Backbone interact. energy: -4.316
local terms energy: -780.611721
where:
bonds (distance) C4'-P energy: -129.852
bonds (distance) P-C4' energy: -148.206
flat angles C4'-P-C4' energy: -164.785
flat angles P-C4'-P energy: -112.429
tors. eta vs tors. theta energy: -225.340
Dist. restrs. and SS energy: 16.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -2486.170005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.170005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.178281 (E_RNA)
where:
Base-Base interactions energy: -1749.786
where: short stacking energy: -761.601
Base-Backbone interact. energy: -1.054
local terms energy: -744.338382
where:
bonds (distance) C4'-P energy: -134.748
bonds (distance) P-C4' energy: -135.266
flat angles C4'-P-C4' energy: -146.479
flat angles P-C4'-P energy: -93.938
tors. eta vs tors. theta energy: -233.907
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: 4, replica: 5
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -2380.792683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.792683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.474819 (E_RNA)
where:
Base-Base interactions energy: -1671.802
where: short stacking energy: -670.192
Base-Backbone interact. energy: 1.373
local terms energy: -721.046036
where:
bonds (distance) C4'-P energy: -136.840
bonds (distance) P-C4' energy: -137.504
flat angles C4'-P-C4' energy: -153.679
flat angles P-C4'-P energy: -98.332
tors. eta vs tors. theta energy: -194.690
Dist. restrs. and SS energy: 10.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -2325.311191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.311191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.354053 (E_RNA)
where:
Base-Base interactions energy: -1614.538
where: short stacking energy: -695.562
Base-Backbone interact. energy: -1.535
local terms energy: -715.281034
where:
bonds (distance) C4'-P energy: -129.292
bonds (distance) P-C4' energy: -121.908
flat angles C4'-P-C4' energy: -156.416
flat angles P-C4'-P energy: -91.352
tors. eta vs tors. theta energy: -216.312
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: 9
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -2245.758996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.758996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.360135 (E_RNA)
where:
Base-Base interactions energy: -1597.999
where: short stacking energy: -664.338
Base-Backbone interact. energy: -2.338
local terms energy: -658.023705
where:
bonds (distance) C4'-P energy: -118.469
bonds (distance) P-C4' energy: -126.888
flat angles C4'-P-C4' energy: -145.517
flat angles P-C4'-P energy: -81.080
tors. eta vs tors. theta energy: -186.069
Dist. restrs. and SS energy: 12.601 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -2177.711244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.711244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.039493 (E_RNA)
where:
Base-Base interactions energy: -1528.386
where: short stacking energy: -621.355
Base-Backbone interact. energy: -3.433
local terms energy: -660.220362
where:
bonds (distance) C4'-P energy: -117.013
bonds (distance) P-C4' energy: -116.342
flat angles C4'-P-C4' energy: -147.751
flat angles P-C4'-P energy: -93.210
tors. eta vs tors. theta energy: -185.905
Dist. restrs. and SS energy: 14.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -2088.582794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.582794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.928511 (E_RNA)
where:
Base-Base interactions energy: -1469.263
where: short stacking energy: -621.607
Base-Backbone interact. energy: -0.541
local terms energy: -640.124913
where:
bonds (distance) C4'-P energy: -114.357
bonds (distance) P-C4' energy: -121.219
flat angles C4'-P-C4' energy: -136.867
flat angles P-C4'-P energy: -81.619
tors. eta vs tors. theta energy: -186.062
Dist. restrs. and SS energy: 21.346 (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: 1
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -1943.875743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.875743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.594700 (E_RNA)
where:
Base-Base interactions energy: -1356.246
where: short stacking energy: -543.901
Base-Backbone interact. energy: 2.370
local terms energy: -612.719041
where:
bonds (distance) C4'-P energy: -117.751
bonds (distance) P-C4' energy: -120.184
flat angles C4'-P-C4' energy: -145.400
flat angles P-C4'-P energy: -74.935
tors. eta vs tors. theta energy: -154.449
Dist. restrs. and SS energy: 22.719 (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: 52
Temperature: 1.350000
Total energy: -1824.655747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.655747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.865556 (E_RNA)
where:
Base-Base interactions energy: -1286.759
where: short stacking energy: -537.076
Base-Backbone interact. energy: -3.370
local terms energy: -560.736340
where:
bonds (distance) C4'-P energy: -101.223
bonds (distance) P-C4' energy: -105.957
flat angles C4'-P-C4' energy: -124.372
flat angles P-C4'-P energy: -82.496
tors. eta vs tors. theta energy: -146.689
Dist. restrs. and SS energy: 26.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -2660.963122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.963122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.480359 (E_RNA)
where:
Base-Base interactions energy: -1851.371
where: short stacking energy: -799.367
Base-Backbone interact. energy: -2.498
local terms energy: -811.611686
where:
bonds (distance) C4'-P energy: -145.397
bonds (distance) P-C4' energy: -138.848
flat angles C4'-P-C4' energy: -159.456
flat angles P-C4'-P energy: -127.064
tors. eta vs tors. theta energy: -240.847
Dist. restrs. and SS energy: 4.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -2565.722554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.722554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.993847 (E_RNA)
where:
Base-Base interactions energy: -1775.213
where: short stacking energy: -760.519
Base-Backbone interact. energy: -3.020
local terms energy: -799.760719
where:
bonds (distance) C4'-P energy: -151.248
bonds (distance) P-C4' energy: -139.931
flat angles C4'-P-C4' energy: -163.094
flat angles P-C4'-P energy: -116.385
tors. eta vs tors. theta energy: -229.103
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: 3, replica: 8
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -2496.665255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.665255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.306548 (E_RNA)
where:
Base-Base interactions energy: -1735.473
where: short stacking energy: -738.299
Base-Backbone interact. energy: -3.635
local terms energy: -766.198429
where:
bonds (distance) C4'-P energy: -138.836
bonds (distance) P-C4' energy: -146.551
flat angles C4'-P-C4' energy: -166.311
flat angles P-C4'-P energy: -96.343
tors. eta vs tors. theta energy: -218.157
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: 4, replica: 5
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -2392.298087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.298087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.006631 (E_RNA)
where:
Base-Base interactions energy: -1665.192
where: short stacking energy: -707.149
Base-Backbone interact. energy: -2.520
local terms energy: -732.293767
where:
bonds (distance) C4'-P energy: -115.664
bonds (distance) P-C4' energy: -138.127
flat angles C4'-P-C4' energy: -157.927
flat angles P-C4'-P energy: -111.909
tors. eta vs tors. theta energy: -208.667
Dist. restrs. and SS energy: 7.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -2334.066510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.066510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.069443 (E_RNA)
where:
Base-Base interactions energy: -1642.723
where: short stacking energy: -677.523
Base-Backbone interact. energy: -2.523
local terms energy: -698.823996
where:
bonds (distance) C4'-P energy: -129.890
bonds (distance) P-C4' energy: -122.463
flat angles C4'-P-C4' energy: -156.205
flat angles P-C4'-P energy: -96.144
tors. eta vs tors. theta energy: -194.122
Dist. restrs. and SS energy: 10.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -2283.069205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.069205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.255112 (E_RNA)
where:
Base-Base interactions energy: -1610.304
where: short stacking energy: -693.678
Base-Backbone interact. energy: -0.855
local terms energy: -689.096392
where:
bonds (distance) C4'-P energy: -126.803
bonds (distance) P-C4' energy: -109.171
flat angles C4'-P-C4' energy: -147.060
flat angles P-C4'-P energy: -102.399
tors. eta vs tors. theta energy: -203.665
Dist. restrs. and SS energy: 17.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -2185.319221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.319221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.360750 (E_RNA)
where:
Base-Base interactions energy: -1531.864
where: short stacking energy: -651.845
Base-Backbone interact. energy: 2.444
local terms energy: -671.941297
where:
bonds (distance) C4'-P energy: -127.650
bonds (distance) P-C4' energy: -125.104
flat angles C4'-P-C4' energy: -152.256
flat angles P-C4'-P energy: -88.259
tors. eta vs tors. theta energy: -178.672
Dist. restrs. and SS energy: 16.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -2063.733867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.733867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.940146 (E_RNA)
where:
Base-Base interactions energy: -1457.214
where: short stacking energy: -622.202
Base-Backbone interact. energy: 3.579
local terms energy: -622.304833
where:
bonds (distance) C4'-P energy: -123.123
bonds (distance) P-C4' energy: -111.789
flat angles C4'-P-C4' energy: -135.580
flat angles P-C4'-P energy: -83.275
tors. eta vs tors. theta energy: -168.538
Dist. restrs. and SS energy: 12.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -1929.078160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.078160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.350075 (E_RNA)
where:
Base-Base interactions energy: -1368.289
where: short stacking energy: -563.793
Base-Backbone interact. energy: -1.148
local terms energy: -574.912993
where:
bonds (distance) C4'-P energy: -86.684
bonds (distance) P-C4' energy: -125.120
flat angles C4'-P-C4' energy: -129.651
flat angles P-C4'-P energy: -73.235
tors. eta vs tors. theta energy: -160.222
Dist. restrs. and SS energy: 15.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -1856.416645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.416645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.902458 (E_RNA)
where:
Base-Base interactions energy: -1363.143
where: short stacking energy: -559.145
Base-Backbone interact. energy: -2.197
local terms energy: -532.563003
where:
bonds (distance) C4'-P energy: -107.443
bonds (distance) P-C4' energy: -121.189
flat angles C4'-P-C4' energy: -106.428
flat angles P-C4'-P energy: -61.154
tors. eta vs tors. theta energy: -136.348
Dist. restrs. and SS energy: 41.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -2671.785215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.785215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.383402 (E_RNA)
where:
Base-Base interactions energy: -1850.060
where: short stacking energy: -785.222
Base-Backbone interact. energy: -2.650
local terms energy: -824.673460
where:
bonds (distance) C4'-P energy: -152.728
bonds (distance) P-C4' energy: -144.397
flat angles C4'-P-C4' energy: -178.889
flat angles P-C4'-P energy: -112.685
tors. eta vs tors. theta energy: -235.974
Dist. restrs. and SS energy: 5.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -2579.568950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.568950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.612139 (E_RNA)
where:
Base-Base interactions energy: -1801.066
where: short stacking energy: -742.279
Base-Backbone interact. energy: -2.604
local terms energy: -787.942888
where:
bonds (distance) C4'-P energy: -139.057
bonds (distance) P-C4' energy: -148.633
flat angles C4'-P-C4' energy: -164.190
flat angles P-C4'-P energy: -107.364
tors. eta vs tors. theta energy: -228.700
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: 3, replica: 8
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -2463.350776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.350776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.429686 (E_RNA)
where:
Base-Base interactions energy: -1727.342
where: short stacking energy: -751.861
Base-Backbone interact. energy: -2.861
local terms energy: -741.226717
where:
bonds (distance) C4'-P energy: -128.144
bonds (distance) P-C4' energy: -140.990
flat angles C4'-P-C4' energy: -154.998
flat angles P-C4'-P energy: -89.449
tors. eta vs tors. theta energy: -227.646
Dist. restrs. and SS energy: 8.079 (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: 5
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -2390.157318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.157318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.954058 (E_RNA)
where:
Base-Base interactions energy: -1699.007
where: short stacking energy: -693.810
Base-Backbone interact. energy: -1.678
local terms energy: -699.268577
where:
bonds (distance) C4'-P energy: -114.040
bonds (distance) P-C4' energy: -140.429
flat angles C4'-P-C4' energy: -147.470
flat angles P-C4'-P energy: -97.661
tors. eta vs tors. theta energy: -199.669
Dist. restrs. and SS energy: 9.797 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -2383.205397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.205397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.805093 (E_RNA)
where:
Base-Base interactions energy: -1663.647
where: short stacking energy: -720.256
Base-Backbone interact. energy: -2.796
local terms energy: -727.361464
where:
bonds (distance) C4'-P energy: -139.378
bonds (distance) P-C4' energy: -138.006
flat angles C4'-P-C4' energy: -151.338
flat angles P-C4'-P energy: -95.799
tors. eta vs tors. theta energy: -202.841
Dist. restrs. and SS energy: 10.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -2261.887269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.887269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.923708 (E_RNA)
where:
Base-Base interactions energy: -1611.558
where: short stacking energy: -685.562
Base-Backbone interact. energy: 1.939
local terms energy: -665.304319
where:
bonds (distance) C4'-P energy: -107.620
bonds (distance) P-C4' energy: -125.868
flat angles C4'-P-C4' energy: -144.615
flat angles P-C4'-P energy: -94.996
tors. eta vs tors. theta energy: -192.205
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: 54
Temperature: 1.200000
Total energy: -2165.693071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.693071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.987278 (E_RNA)
where:
Base-Base interactions energy: -1520.192
where: short stacking energy: -652.866
Base-Backbone interact. energy: -0.567
local terms energy: -666.228806
where:
bonds (distance) C4'-P energy: -119.656
bonds (distance) P-C4' energy: -121.008
flat angles C4'-P-C4' energy: -145.554
flat angles P-C4'-P energy: -87.365
tors. eta vs tors. theta energy: -192.646
Dist. restrs. and SS energy: 21.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -2050.409734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.409734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.670376 (E_RNA)
where:
Base-Base interactions energy: -1451.553
where: short stacking energy: -605.210
Base-Backbone interact. energy: -1.618
local terms energy: -627.498948
where:
bonds (distance) C4'-P energy: -117.663
bonds (distance) P-C4' energy: -132.708
flat angles C4'-P-C4' energy: -114.439
flat angles P-C4'-P energy: -85.170
tors. eta vs tors. theta energy: -177.519
Dist. restrs. and SS energy: 30.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -1968.917952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.917952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.163508 (E_RNA)
where:
Base-Base interactions energy: -1408.911
where: short stacking energy: -595.766
Base-Backbone interact. energy: 3.509
local terms energy: -577.761694
where:
bonds (distance) C4'-P energy: -120.956
bonds (distance) P-C4' energy: -98.140
flat angles C4'-P-C4' energy: -140.161
flat angles P-C4'-P energy: -69.196
tors. eta vs tors. theta energy: -149.308
Dist. restrs. and SS energy: 14.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -1870.908630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.908630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.779288 (E_RNA)
where:
Base-Base interactions energy: -1310.050
where: short stacking energy: -546.910
Base-Backbone interact. energy: -3.307
local terms energy: -580.423024
where:
bonds (distance) C4'-P energy: -104.084
bonds (distance) P-C4' energy: -116.757
flat angles C4'-P-C4' energy: -135.485
flat angles P-C4'-P energy: -86.681
tors. eta vs tors. theta energy: -137.416
Dist. restrs. and SS energy: 22.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -2658.460349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.460349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.724264 (E_RNA)
where:
Base-Base interactions energy: -1835.696
where: short stacking energy: -774.384
Base-Backbone interact. energy: -3.594
local terms energy: -824.433569
where:
bonds (distance) C4'-P energy: -150.583
bonds (distance) P-C4' energy: -164.092
flat angles C4'-P-C4' energy: -169.976
flat angles P-C4'-P energy: -108.139
tors. eta vs tors. theta energy: -231.644
Dist. restrs. and SS energy: 5.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -2571.383891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.383891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.383332 (E_RNA)
where:
Base-Base interactions energy: -1801.061
where: short stacking energy: -731.335
Base-Backbone interact. energy: -3.431
local terms energy: -778.891617
where:
bonds (distance) C4'-P energy: -142.868
bonds (distance) P-C4' energy: -143.590
flat angles C4'-P-C4' energy: -167.863
flat angles P-C4'-P energy: -103.960
tors. eta vs tors. theta energy: -220.611
Dist. restrs. and SS energy: 11.999 (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: 8
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -2446.062183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.062183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.559223 (E_RNA)
where:
Base-Base interactions energy: -1712.877
where: short stacking energy: -734.672
Base-Backbone interact. energy: -0.089
local terms energy: -741.592951
where:
bonds (distance) C4'-P energy: -127.348
bonds (distance) P-C4' energy: -129.613
flat angles C4'-P-C4' energy: -155.197
flat angles P-C4'-P energy: -121.774
tors. eta vs tors. theta energy: -207.661
Dist. restrs. and SS energy: 8.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -2413.821763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.821763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.429868 (E_RNA)
where:
Base-Base interactions energy: -1663.133
where: short stacking energy: -699.993
Base-Backbone interact. energy: -1.652
local terms energy: -756.644741
where:
bonds (distance) C4'-P energy: -134.154
bonds (distance) P-C4' energy: -139.268
flat angles C4'-P-C4' energy: -161.787
flat angles P-C4'-P energy: -107.743
tors. eta vs tors. theta energy: -213.694
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: 5
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -2351.852855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.852855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.970922 (E_RNA)
where:
Base-Base interactions energy: -1654.059
where: short stacking energy: -693.141
Base-Backbone interact. energy: -3.727
local terms energy: -704.184453
where:
bonds (distance) C4'-P energy: -135.091
bonds (distance) P-C4' energy: -125.360
flat angles C4'-P-C4' energy: -151.652
flat angles P-C4'-P energy: -93.298
tors. eta vs tors. theta energy: -198.783
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: 6, replica: 3
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -2232.666016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.666016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.827410 (E_RNA)
where:
Base-Base interactions energy: -1571.304
where: short stacking energy: -660.338
Base-Backbone interact. energy: -3.047
local terms energy: -677.475767
where:
bonds (distance) C4'-P energy: -117.876
bonds (distance) P-C4' energy: -122.809
flat angles C4'-P-C4' energy: -149.285
flat angles P-C4'-P energy: -84.000
tors. eta vs tors. theta energy: -203.506
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: 7, replica: 9
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -2189.327639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.327639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.310047 (E_RNA)
where:
Base-Base interactions energy: -1560.144
where: short stacking energy: -635.092
Base-Backbone interact. energy: 2.127
local terms energy: -646.292611
where:
bonds (distance) C4'-P energy: -113.904
bonds (distance) P-C4' energy: -124.961
flat angles C4'-P-C4' energy: -148.815
flat angles P-C4'-P energy: -80.361
tors. eta vs tors. theta energy: -178.251
Dist. restrs. and SS energy: 14.982 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -2057.345086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.345086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.849845 (E_RNA)
where:
Base-Base interactions energy: -1453.172
where: short stacking energy: -595.157
Base-Backbone interact. energy: 0.386
local terms energy: -625.063715
where:
bonds (distance) C4'-P energy: -130.574
bonds (distance) P-C4' energy: -117.738
flat angles C4'-P-C4' energy: -145.991
flat angles P-C4'-P energy: -77.322
tors. eta vs tors. theta energy: -153.439
Dist. restrs. and SS energy: 20.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -1968.090155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.090155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.583634 (E_RNA)
where:
Base-Base interactions energy: -1365.621
where: short stacking energy: -557.651
Base-Backbone interact. energy: -1.533
local terms energy: -620.428908
where:
bonds (distance) C4'-P energy: -121.452
bonds (distance) P-C4' energy: -110.136
flat angles C4'-P-C4' energy: -140.900
flat angles P-C4'-P energy: -92.488
tors. eta vs tors. theta energy: -155.453
Dist. restrs. and SS energy: 19.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -1817.457618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.457618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.378047 (E_RNA)
where:
Base-Base interactions energy: -1252.282
where: short stacking energy: -522.697
Base-Backbone interact. energy: -2.915
local terms energy: -590.180817
where:
bonds (distance) C4'-P energy: -118.106
bonds (distance) P-C4' energy: -102.045
flat angles C4'-P-C4' energy: -140.282
flat angles P-C4'-P energy: -78.746
tors. eta vs tors. theta energy: -151.002
Dist. restrs. and SS energy: 27.920 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -2661.919724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.919724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.500245 (E_RNA)
where:
Base-Base interactions energy: -1834.733
where: short stacking energy: -798.197
Base-Backbone interact. energy: -4.813
local terms energy: -829.954383
where:
bonds (distance) C4'-P energy: -148.655
bonds (distance) P-C4' energy: -144.035
flat angles C4'-P-C4' energy: -175.460
flat angles P-C4'-P energy: -123.264
tors. eta vs tors. theta energy: -238.540
Dist. restrs. and SS energy: 7.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -2570.525309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.525309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.853727 (E_RNA)
where:
Base-Base interactions energy: -1815.343
where: short stacking energy: -771.797
Base-Backbone interact. energy: 0.376
local terms energy: -765.886107
where:
bonds (distance) C4'-P energy: -138.555
bonds (distance) P-C4' energy: -147.764
flat angles C4'-P-C4' energy: -162.775
flat angles P-C4'-P energy: -103.744
tors. eta vs tors. theta energy: -213.049
Dist. restrs. and SS energy: 10.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -2462.132568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.132568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.910172 (E_RNA)
where:
Base-Base interactions energy: -1720.983
where: short stacking energy: -738.526
Base-Backbone interact. energy: -2.538
local terms energy: -747.389072
where:
bonds (distance) C4'-P energy: -130.299
bonds (distance) P-C4' energy: -132.912
flat angles C4'-P-C4' energy: -157.628
flat angles P-C4'-P energy: -106.644
tors. eta vs tors. theta energy: -219.905
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: 2
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -2414.795878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.795878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.744868 (E_RNA)
where:
Base-Base interactions energy: -1688.224
where: short stacking energy: -728.154
Base-Backbone interact. energy: -5.236
local terms energy: -729.284455
where:
bonds (distance) C4'-P energy: -143.024
bonds (distance) P-C4' energy: -131.194
flat angles C4'-P-C4' energy: -155.119
flat angles P-C4'-P energy: -90.635
tors. eta vs tors. theta energy: -209.313
Dist. restrs. and SS energy: 7.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -2358.936669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.936669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.560296 (E_RNA)
where:
Base-Base interactions energy: -1645.624
where: short stacking energy: -726.134
Base-Backbone interact. energy: -3.501
local terms energy: -723.435371
where:
bonds (distance) C4'-P energy: -129.908
bonds (distance) P-C4' energy: -144.184
flat angles C4'-P-C4' energy: -151.905
flat angles P-C4'-P energy: -88.245
tors. eta vs tors. theta energy: -209.192
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: 6, replica: 3
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -2226.789451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.789451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.413268 (E_RNA)
where:
Base-Base interactions energy: -1539.516
where: short stacking energy: -659.771
Base-Backbone interact. energy: -4.346
local terms energy: -701.550972
where:
bonds (distance) C4'-P energy: -119.700
bonds (distance) P-C4' energy: -138.777
flat angles C4'-P-C4' energy: -149.302
flat angles P-C4'-P energy: -94.099
tors. eta vs tors. theta energy: -199.673
Dist. restrs. and SS energy: 18.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -2133.981413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.981413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.536994 (E_RNA)
where:
Base-Base interactions energy: -1514.208
where: short stacking energy: -640.493
Base-Backbone interact. energy: -0.522
local terms energy: -638.807875
where:
bonds (distance) C4'-P energy: -111.042
bonds (distance) P-C4' energy: -124.838
flat angles C4'-P-C4' energy: -135.202
flat angles P-C4'-P energy: -90.901
tors. eta vs tors. theta energy: -176.825
Dist. restrs. and SS energy: 19.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -2083.573691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.573691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.535079 (E_RNA)
where:
Base-Base interactions energy: -1472.427
where: short stacking energy: -629.678
Base-Backbone interact. energy: -0.104
local terms energy: -629.004765
where:
bonds (distance) C4'-P energy: -122.621
bonds (distance) P-C4' energy: -123.586
flat angles C4'-P-C4' energy: -129.662
flat angles P-C4'-P energy: -79.497
tors. eta vs tors. theta energy: -173.638
Dist. restrs. and SS energy: 17.961 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -2035.632206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.632206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.989543 (E_RNA)
where:
Base-Base interactions energy: -1431.896
where: short stacking energy: -583.618
Base-Backbone interact. energy: 0.685
local terms energy: -616.778751
where:
bonds (distance) C4'-P energy: -110.813
bonds (distance) P-C4' energy: -107.579
flat angles C4'-P-C4' energy: -137.819
flat angles P-C4'-P energy: -85.663
tors. eta vs tors. theta energy: -174.905
Dist. restrs. and SS energy: 12.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -1798.587932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.587932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.056488 (E_RNA)
where:
Base-Base interactions energy: -1300.958
where: short stacking energy: -554.347
Base-Backbone interact. energy: -3.117
local terms energy: -530.981591
where:
bonds (distance) C4'-P energy: -87.877
bonds (distance) P-C4' energy: -113.556
flat angles C4'-P-C4' energy: -112.980
flat angles P-C4'-P energy: -78.179
tors. eta vs tors. theta energy: -138.390
Dist. restrs. and SS energy: 36.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -2635.167302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.167302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.915643 (E_RNA)
where:
Base-Base interactions energy: -1841.093
where: short stacking energy: -764.026
Base-Backbone interact. energy: -5.422
local terms energy: -794.400340
where:
bonds (distance) C4'-P energy: -140.364
bonds (distance) P-C4' energy: -130.206
flat angles C4'-P-C4' energy: -171.833
flat angles P-C4'-P energy: -120.040
tors. eta vs tors. theta energy: -231.956
Dist. restrs. and SS energy: 5.748 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -2586.292618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.292618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.170359 (E_RNA)
where:
Base-Base interactions energy: -1797.127
where: short stacking energy: -744.933
Base-Backbone interact. energy: -3.260
local terms energy: -798.783736
where:
bonds (distance) C4'-P energy: -140.088
bonds (distance) P-C4' energy: -144.303
flat angles C4'-P-C4' energy: -166.633
flat angles P-C4'-P energy: -125.774
tors. eta vs tors. theta energy: -221.985
Dist. restrs. and SS energy: 12.878 (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: 8
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -2473.571334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.571334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.436434 (E_RNA)
where:
Base-Base interactions energy: -1723.108
where: short stacking energy: -730.316
Base-Backbone interact. energy: -2.313
local terms energy: -758.015419
where:
bonds (distance) C4'-P energy: -124.588
bonds (distance) P-C4' energy: -155.285
flat angles C4'-P-C4' energy: -163.598
flat angles P-C4'-P energy: -100.351
tors. eta vs tors. theta energy: -214.194
Dist. restrs. and SS energy: 9.865 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -2440.364954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.364954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.548957 (E_RNA)
where:
Base-Base interactions energy: -1702.268
where: short stacking energy: -719.332
Base-Backbone interact. energy: 1.332
local terms energy: -745.612699
where:
bonds (distance) C4'-P energy: -141.661
bonds (distance) P-C4' energy: -138.459
flat angles C4'-P-C4' energy: -149.456
flat angles P-C4'-P energy: -103.863
tors. eta vs tors. theta energy: -212.175
Dist. restrs. and SS energy: 6.184 (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: 5
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -2357.662177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.662177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.725774 (E_RNA)
where:
Base-Base interactions energy: -1625.066
where: short stacking energy: -673.143
Base-Backbone interact. energy: -0.260
local terms energy: -747.400042
where:
bonds (distance) C4'-P energy: -149.324
bonds (distance) P-C4' energy: -141.897
flat angles C4'-P-C4' energy: -162.779
flat angles P-C4'-P energy: -92.332
tors. eta vs tors. theta energy: -201.067
Dist. restrs. and SS energy: 15.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -2255.954132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.954132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.556899 (E_RNA)
where:
Base-Base interactions energy: -1579.234
where: short stacking energy: -683.412
Base-Backbone interact. energy: -2.691
local terms energy: -688.631732
where:
bonds (distance) C4'-P energy: -118.343
bonds (distance) P-C4' energy: -135.974
flat angles C4'-P-C4' energy: -148.459
flat angles P-C4'-P energy: -97.033
tors. eta vs tors. theta energy: -188.822
Dist. restrs. and SS energy: 14.603 (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: 9
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -2168.448269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.448269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.695755 (E_RNA)
where:
Base-Base interactions energy: -1521.795
where: short stacking energy: -641.630
Base-Backbone interact. energy: -2.048
local terms energy: -659.852273
where:
bonds (distance) C4'-P energy: -129.633
bonds (distance) P-C4' energy: -123.383
flat angles C4'-P-C4' energy: -146.137
flat angles P-C4'-P energy: -80.627
tors. eta vs tors. theta energy: -180.073
Dist. restrs. and SS energy: 15.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -2111.151067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.151067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.394904 (E_RNA)
where:
Base-Base interactions energy: -1479.489
where: short stacking energy: -622.977
Base-Backbone interact. energy: -2.180
local terms energy: -641.725899
where:
bonds (distance) C4'-P energy: -119.249
bonds (distance) P-C4' energy: -125.452
flat angles C4'-P-C4' energy: -142.988
flat angles P-C4'-P energy: -78.052
tors. eta vs tors. theta energy: -175.985
Dist. restrs. and SS energy: 12.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -1978.838097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.838097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.853866 (E_RNA)
where:
Base-Base interactions energy: -1404.124
where: short stacking energy: -565.806
Base-Backbone interact. energy: 1.578
local terms energy: -599.307180
where:
bonds (distance) C4'-P energy: -115.922
bonds (distance) P-C4' energy: -109.729
flat angles C4'-P-C4' energy: -130.271
flat angles P-C4'-P energy: -91.731
tors. eta vs tors. theta energy: -151.654
Dist. restrs. and SS energy: 23.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -1882.234742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.234742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.263017 (E_RNA)
where:
Base-Base interactions energy: -1344.006
where: short stacking energy: -555.834
Base-Backbone interact. energy: -0.793
local terms energy: -566.464198
where:
bonds (distance) C4'-P energy: -91.124
bonds (distance) P-C4' energy: -114.880
flat angles C4'-P-C4' energy: -133.864
flat angles P-C4'-P energy: -76.068
tors. eta vs tors. theta energy: -150.529
Dist. restrs. and SS energy: 29.028 (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: 10
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -2670.891426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.891426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.983661 (E_RNA)
where:
Base-Base interactions energy: -1876.293
where: short stacking energy: -809.658
Base-Backbone interact. energy: -4.048
local terms energy: -795.641803
where:
bonds (distance) C4'-P energy: -147.829
bonds (distance) P-C4' energy: -125.723
flat angles C4'-P-C4' energy: -174.243
flat angles P-C4'-P energy: -108.316
tors. eta vs tors. theta energy: -239.532
Dist. restrs. and SS energy: 5.092 (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: 58
Temperature: 0.950000
Total energy: -2583.468975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.468975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.793626 (E_RNA)
where:
Base-Base interactions energy: -1811.306
where: short stacking energy: -768.384
Base-Backbone interact. energy: -3.874
local terms energy: -780.613786
where:
bonds (distance) C4'-P energy: -135.631
bonds (distance) P-C4' energy: -147.205
flat angles C4'-P-C4' energy: -162.521
flat angles P-C4'-P energy: -108.248
tors. eta vs tors. theta energy: -227.008
Dist. restrs. and SS energy: 12.325 (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: 8
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -2483.571287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.571287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.452065 (E_RNA)
where:
Base-Base interactions energy: -1728.043
where: short stacking energy: -735.448
Base-Backbone interact. energy: -2.950
local terms energy: -760.458903
where:
bonds (distance) C4'-P energy: -120.438
bonds (distance) P-C4' energy: -140.152
flat angles C4'-P-C4' energy: -163.600
flat angles P-C4'-P energy: -115.154
tors. eta vs tors. theta energy: -221.114
Dist. restrs. and SS energy: 7.881 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -2417.869348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.869348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.074317 (E_RNA)
where:
Base-Base interactions energy: -1685.925
where: short stacking energy: -697.713
Base-Backbone interact. energy: -3.071
local terms energy: -738.077607
where:
bonds (distance) C4'-P energy: -134.470
bonds (distance) P-C4' energy: -121.898
flat angles C4'-P-C4' energy: -168.616
flat angles P-C4'-P energy: -97.958
tors. eta vs tors. theta energy: -215.136
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: 5, replica: 5
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -2334.324210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.324210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.305708 (E_RNA)
where:
Base-Base interactions energy: -1636.983
where: short stacking energy: -670.335
Base-Backbone interact. energy: -0.477
local terms energy: -706.845331
where:
bonds (distance) C4'-P energy: -135.516
bonds (distance) P-C4' energy: -130.907
flat angles C4'-P-C4' energy: -148.659
flat angles P-C4'-P energy: -104.387
tors. eta vs tors. theta energy: -187.377
Dist. restrs. and SS energy: 9.981 (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: 3
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -2267.183412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.183412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.181306 (E_RNA)
where:
Base-Base interactions energy: -1566.153
where: short stacking energy: -664.222
Base-Backbone interact. energy: -3.149
local terms energy: -712.879751
where:
bonds (distance) C4'-P energy: -122.834
bonds (distance) P-C4' energy: -120.090
flat angles C4'-P-C4' energy: -164.059
flat angles P-C4'-P energy: -92.140
tors. eta vs tors. theta energy: -213.758
Dist. restrs. and SS energy: 14.998 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -2204.921983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.921983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.749238 (E_RNA)
where:
Base-Base interactions energy: -1569.469
where: short stacking energy: -658.626
Base-Backbone interact. energy: -2.324
local terms energy: -646.955926
where:
bonds (distance) C4'-P energy: -110.538
bonds (distance) P-C4' energy: -114.971
flat angles C4'-P-C4' energy: -141.668
flat angles P-C4'-P energy: -91.924
tors. eta vs tors. theta energy: -187.855
Dist. restrs. and SS energy: 13.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -2140.593069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.593069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.005148 (E_RNA)
where:
Base-Base interactions energy: -1527.373
where: short stacking energy: -641.486
Base-Backbone interact. energy: -1.364
local terms energy: -631.267241
where:
bonds (distance) C4'-P energy: -119.726
bonds (distance) P-C4' energy: -109.863
flat angles C4'-P-C4' energy: -131.513
flat angles P-C4'-P energy: -78.705
tors. eta vs tors. theta energy: -191.461
Dist. restrs. and SS energy: 19.412 (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: 58
Temperature: 1.300000
Total energy: -1980.513087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.513087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.670953 (E_RNA)
where:
Base-Base interactions energy: -1383.828
where: short stacking energy: -593.598
Base-Backbone interact. energy: -2.228
local terms energy: -623.615247
where:
bonds (distance) C4'-P energy: -110.780
bonds (distance) P-C4' energy: -128.242
flat angles C4'-P-C4' energy: -145.139
flat angles P-C4'-P energy: -80.197
tors. eta vs tors. theta energy: -159.257
Dist. restrs. and SS energy: 29.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -1839.303171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.303171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.762866 (E_RNA)
where:
Base-Base interactions energy: -1308.647
where: short stacking energy: -551.242
Base-Backbone interact. energy: 0.922
local terms energy: -567.037469
where:
bonds (distance) C4'-P energy: -96.983
bonds (distance) P-C4' energy: -115.733
flat angles C4'-P-C4' energy: -129.043
flat angles P-C4'-P energy: -77.525
tors. eta vs tors. theta energy: -147.753
Dist. restrs. and SS energy: 35.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -2675.823212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.823212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.955416 (E_RNA)
where:
Base-Base interactions energy: -1893.529
where: short stacking energy: -769.212
Base-Backbone interact. energy: -4.138
local terms energy: -783.287744
where:
bonds (distance) C4'-P energy: -132.502
bonds (distance) P-C4' energy: -151.792
flat angles C4'-P-C4' energy: -161.043
flat angles P-C4'-P energy: -106.597
tors. eta vs tors. theta energy: -231.354
Dist. restrs. and SS energy: 5.132 (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: 7
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -2573.202000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.202000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.496103 (E_RNA)
where:
Base-Base interactions energy: -1793.829
where: short stacking energy: -747.681
Base-Backbone interact. energy: -4.010
local terms energy: -788.656795
where:
bonds (distance) C4'-P energy: -150.716
bonds (distance) P-C4' energy: -150.020
flat angles C4'-P-C4' energy: -154.340
flat angles P-C4'-P energy: -110.077
tors. eta vs tors. theta energy: -223.503
Dist. restrs. and SS energy: 13.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -2469.142445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.142445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.843910 (E_RNA)
where:
Base-Base interactions energy: -1728.034
where: short stacking energy: -714.289
Base-Backbone interact. energy: -0.539
local terms energy: -749.271006
where:
bonds (distance) C4'-P energy: -138.784
bonds (distance) P-C4' energy: -143.149
flat angles C4'-P-C4' energy: -154.818
flat angles P-C4'-P energy: -99.548
tors. eta vs tors. theta energy: -212.972
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: 59
Temperature: 1.050000
Total energy: -2427.913143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.913143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.739725 (E_RNA)
where:
Base-Base interactions energy: -1679.971
where: short stacking energy: -718.586
Base-Backbone interact. energy: -2.922
local terms energy: -753.846550
where:
bonds (distance) C4'-P energy: -143.653
bonds (distance) P-C4' energy: -144.714
flat angles C4'-P-C4' energy: -158.363
flat angles P-C4'-P energy: -98.622
tors. eta vs tors. theta energy: -208.496
Dist. restrs. and SS energy: 8.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -2318.895523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.895523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.980144 (E_RNA)
where:
Base-Base interactions energy: -1624.680
where: short stacking energy: -682.835
Base-Backbone interact. energy: -5.052
local terms energy: -701.247844
where:
bonds (distance) C4'-P energy: -130.469
bonds (distance) P-C4' energy: -125.538
flat angles C4'-P-C4' energy: -162.728
flat angles P-C4'-P energy: -94.537
tors. eta vs tors. theta energy: -187.976
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: 6, replica: 3
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -2258.287365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.287365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.065009 (E_RNA)
where:
Base-Base interactions energy: -1586.251
where: short stacking energy: -659.206
Base-Backbone interact. energy: -3.564
local terms energy: -684.249813
where:
bonds (distance) C4'-P energy: -126.234
bonds (distance) P-C4' energy: -134.934
flat angles C4'-P-C4' energy: -144.755
flat angles P-C4'-P energy: -81.765
tors. eta vs tors. theta energy: -196.562
Dist. restrs. and SS energy: 15.778 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -2214.687439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.687439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.277166 (E_RNA)
where:
Base-Base interactions energy: -1551.248
where: short stacking energy: -647.014
Base-Backbone interact. energy: -2.267
local terms energy: -678.762149
where:
bonds (distance) C4'-P energy: -115.156
bonds (distance) P-C4' energy: -115.866
flat angles C4'-P-C4' energy: -158.741
flat angles P-C4'-P energy: -87.748
tors. eta vs tors. theta energy: -201.251
Dist. restrs. and SS energy: 17.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -2121.374463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.374463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.801482 (E_RNA)
where:
Base-Base interactions energy: -1485.818
where: short stacking energy: -625.128
Base-Backbone interact. energy: -2.911
local terms energy: -647.072173
where:
bonds (distance) C4'-P energy: -121.595
bonds (distance) P-C4' energy: -117.759
flat angles C4'-P-C4' energy: -147.842
flat angles P-C4'-P energy: -74.840
tors. eta vs tors. theta energy: -185.037
Dist. restrs. and SS energy: 14.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -1969.175582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.175582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.255862 (E_RNA)
where:
Base-Base interactions energy: -1371.021
where: short stacking energy: -586.695
Base-Backbone interact. energy: -1.485
local terms energy: -613.749634
where:
bonds (distance) C4'-P energy: -113.279
bonds (distance) P-C4' energy: -120.058
flat angles C4'-P-C4' energy: -144.567
flat angles P-C4'-P energy: -78.345
tors. eta vs tors. theta energy: -157.501
Dist. restrs. and SS energy: 17.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -1859.531267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.531267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.286554 (E_RNA)
where:
Base-Base interactions energy: -1338.683
where: short stacking energy: -526.781
Base-Backbone interact. energy: 2.731
local terms energy: -538.335334
where:
bonds (distance) C4'-P energy: -103.890
bonds (distance) P-C4' energy: -119.244
flat angles C4'-P-C4' energy: -102.010
flat angles P-C4'-P energy: -77.658
tors. eta vs tors. theta energy: -135.533
Dist. restrs. and SS energy: 14.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -2695.412514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.412514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.960233 (E_RNA)
where:
Base-Base interactions energy: -1896.978
where: short stacking energy: -794.874
Base-Backbone interact. energy: -3.351
local terms energy: -800.630804
where:
bonds (distance) C4'-P energy: -141.316
bonds (distance) P-C4' energy: -149.201
flat angles C4'-P-C4' energy: -168.999
flat angles P-C4'-P energy: -113.930
tors. eta vs tors. theta energy: -227.184
Dist. restrs. and SS energy: 5.548 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -2604.229922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.229922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.567340 (E_RNA)
where:
Base-Base interactions energy: -1790.945
where: short stacking energy: -761.762
Base-Backbone interact. energy: 0.965
local terms energy: -823.587528
where:
bonds (distance) C4'-P energy: -146.049
bonds (distance) P-C4' energy: -164.550
flat angles C4'-P-C4' energy: -173.139
flat angles P-C4'-P energy: -106.225
tors. eta vs tors. theta energy: -233.624
Dist. restrs. and SS energy: 9.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -2479.013581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.013581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.430711 (E_RNA)
where:
Base-Base interactions energy: -1715.306
where: short stacking energy: -723.947
Base-Backbone interact. energy: -0.234
local terms energy: -775.891283
where:
bonds (distance) C4'-P energy: -127.147
bonds (distance) P-C4' energy: -146.128
flat angles C4'-P-C4' energy: -168.059
flat angles P-C4'-P energy: -115.896
tors. eta vs tors. theta energy: -218.661
Dist. restrs. and SS energy: 12.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -2383.012330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.012330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.013630 (E_RNA)
where:
Base-Base interactions energy: -1669.377
where: short stacking energy: -683.541
Base-Backbone interact. energy: -4.438
local terms energy: -722.198609
where:
bonds (distance) C4'-P energy: -126.166
bonds (distance) P-C4' energy: -141.771
flat angles C4'-P-C4' energy: -152.674
flat angles P-C4'-P energy: -99.271
tors. eta vs tors. theta energy: -202.317
Dist. restrs. and SS energy: 13.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -2346.773904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.773904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.249902 (E_RNA)
where:
Base-Base interactions energy: -1627.651
where: short stacking energy: -702.213
Base-Backbone interact. energy: -2.164
local terms energy: -732.434528
where:
bonds (distance) C4'-P energy: -144.734
bonds (distance) P-C4' energy: -129.731
flat angles C4'-P-C4' energy: -144.903
flat angles P-C4'-P energy: -99.595
tors. eta vs tors. theta energy: -213.471
Dist. restrs. and SS energy: 15.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -2294.154254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.154254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.391940 (E_RNA)
where:
Base-Base interactions energy: -1606.509
where: short stacking energy: -687.982
Base-Backbone interact. energy: 0.893
local terms energy: -704.776199
where:
bonds (distance) C4'-P energy: -123.191
bonds (distance) P-C4' energy: -129.612
flat angles C4'-P-C4' energy: -144.439
flat angles P-C4'-P energy: -99.800
tors. eta vs tors. theta energy: -207.735
Dist. restrs. and SS energy: 16.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -2199.542954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.542954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.537989 (E_RNA)
where:
Base-Base interactions energy: -1550.916
where: short stacking energy: -629.400
Base-Backbone interact. energy: -3.081
local terms energy: -661.541252
where:
bonds (distance) C4'-P energy: -133.477
bonds (distance) P-C4' energy: -129.265
flat angles C4'-P-C4' energy: -145.756
flat angles P-C4'-P energy: -74.770
tors. eta vs tors. theta energy: -178.274
Dist. restrs. and SS energy: 15.995 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -2079.449914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.449914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.733881 (E_RNA)
where:
Base-Base interactions energy: -1450.070
where: short stacking energy: -621.841
Base-Backbone interact. energy: -0.015
local terms energy: -644.648177
where:
bonds (distance) C4'-P energy: -110.249
bonds (distance) P-C4' energy: -129.710
flat angles C4'-P-C4' energy: -132.068
flat angles P-C4'-P energy: -84.461
tors. eta vs tors. theta energy: -188.160
Dist. restrs. and SS energy: 15.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -1950.892958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.892958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.740772 (E_RNA)
where:
Base-Base interactions energy: -1403.397
where: short stacking energy: -587.373
Base-Backbone interact. energy: -0.666
local terms energy: -571.678483
where:
bonds (distance) C4'-P energy: -112.312
bonds (distance) P-C4' energy: -102.515
flat angles C4'-P-C4' energy: -145.544
flat angles P-C4'-P energy: -55.916
tors. eta vs tors. theta energy: -155.392
Dist. restrs. and SS energy: 24.848 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -1900.711303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.711303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.543758 (E_RNA)
where:
Base-Base interactions energy: -1364.199
where: short stacking energy: -558.048
Base-Backbone interact. energy: 1.439
local terms energy: -559.784171
where:
bonds (distance) C4'-P energy: -120.130
bonds (distance) P-C4' energy: -118.480
flat angles C4'-P-C4' energy: -130.547
flat angles P-C4'-P energy: -58.008
tors. eta vs tors. theta energy: -132.619
Dist. restrs. and SS energy: 21.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -2663.939879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.939879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.095880 (E_RNA)
where:
Base-Base interactions energy: -1864.958
where: short stacking energy: -782.438
Base-Backbone interact. energy: -1.306
local terms energy: -802.831572
where:
bonds (distance) C4'-P energy: -141.354
bonds (distance) P-C4' energy: -145.176
flat angles C4'-P-C4' energy: -167.199
flat angles P-C4'-P energy: -122.427
tors. eta vs tors. theta energy: -226.676
Dist. restrs. and SS energy: 5.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -2632.973322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.973322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.812919 (E_RNA)
where:
Base-Base interactions energy: -1856.602
where: short stacking energy: -786.836
Base-Backbone interact. energy: -2.175
local terms energy: -781.036316
where:
bonds (distance) C4'-P energy: -149.238
bonds (distance) P-C4' energy: -134.104
flat angles C4'-P-C4' energy: -153.879
flat angles P-C4'-P energy: -110.635
tors. eta vs tors. theta energy: -233.182
Dist. restrs. and SS energy: 6.840 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -2484.866739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.866739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.857944 (E_RNA)
where:
Base-Base interactions energy: -1735.520
where: short stacking energy: -727.607
Base-Backbone interact. energy: -3.094
local terms energy: -754.243921
where:
bonds (distance) C4'-P energy: -145.064
bonds (distance) P-C4' energy: -136.628
flat angles C4'-P-C4' energy: -150.564
flat angles P-C4'-P energy: -99.040
tors. eta vs tors. theta energy: -222.948
Dist. restrs. and SS energy: 7.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -2412.043585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.043585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.596086 (E_RNA)
where:
Base-Base interactions energy: -1724.909
where: short stacking energy: -717.799
Base-Backbone interact. energy: -3.329
local terms energy: -693.358127
where:
bonds (distance) C4'-P energy: -135.453
bonds (distance) P-C4' energy: -112.245
flat angles C4'-P-C4' energy: -140.682
flat angles P-C4'-P energy: -106.650
tors. eta vs tors. theta energy: -198.328
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: 3
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -2333.329707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.329707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.273450 (E_RNA)
where:
Base-Base interactions energy: -1630.030
where: short stacking energy: -686.111
Base-Backbone interact. energy: -0.712
local terms energy: -713.531645
where:
bonds (distance) C4'-P energy: -121.801
bonds (distance) P-C4' energy: -139.299
flat angles C4'-P-C4' energy: -150.674
flat angles P-C4'-P energy: -96.388
tors. eta vs tors. theta energy: -205.370
Dist. restrs. and SS energy: 10.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -2264.691329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.691329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.325727 (E_RNA)
where:
Base-Base interactions energy: -1592.296
where: short stacking energy: -667.658
Base-Backbone interact. energy: -3.557
local terms energy: -680.473101
where:
bonds (distance) C4'-P energy: -114.538
bonds (distance) P-C4' energy: -125.849
flat angles C4'-P-C4' energy: -143.418
flat angles P-C4'-P energy: -89.415
tors. eta vs tors. theta energy: -207.253
Dist. restrs. and SS energy: 11.634 (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: 9
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -2171.181784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.181784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.531647 (E_RNA)
where:
Base-Base interactions energy: -1547.789
where: short stacking energy: -646.767
Base-Backbone interact. energy: 0.192
local terms energy: -640.934030
where:
bonds (distance) C4'-P energy: -117.225
bonds (distance) P-C4' energy: -122.661
flat angles C4'-P-C4' energy: -133.676
flat angles P-C4'-P energy: -82.903
tors. eta vs tors. theta energy: -184.470
Dist. restrs. and SS energy: 17.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -2124.245423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.245423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.738263 (E_RNA)
where:
Base-Base interactions energy: -1503.833
where: short stacking energy: -640.721
Base-Backbone interact. energy: -0.630
local terms energy: -633.275221
where:
bonds (distance) C4'-P energy: -125.288
bonds (distance) P-C4' energy: -106.484
flat angles C4'-P-C4' energy: -133.807
flat angles P-C4'-P energy: -74.749
tors. eta vs tors. theta energy: -192.947
Dist. restrs. and SS energy: 13.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -1885.629954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.629954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.546311 (E_RNA)
where:
Base-Base interactions energy: -1336.368
where: short stacking energy: -536.559
Base-Backbone interact. energy: 7.591
local terms energy: -577.770165
where:
bonds (distance) C4'-P energy: -103.266
bonds (distance) P-C4' energy: -123.783
flat angles C4'-P-C4' energy: -121.426
flat angles P-C4'-P energy: -93.574
tors. eta vs tors. theta energy: -135.720
Dist. restrs. and SS energy: 20.916 (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: 6
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -1889.950269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.950269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.524547 (E_RNA)
where:
Base-Base interactions energy: -1340.828
where: short stacking energy: -557.754
Base-Backbone interact. energy: -3.785
local terms energy: -563.911597
where:
bonds (distance) C4'-P energy: -107.238
bonds (distance) P-C4' energy: -118.905
flat angles C4'-P-C4' energy: -114.936
flat angles P-C4'-P energy: -69.202
tors. eta vs tors. theta energy: -153.631
Dist. restrs. and SS energy: 18.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -2683.626907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.626907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.825252 (E_RNA)
where:
Base-Base interactions energy: -1856.659
where: short stacking energy: -793.390
Base-Backbone interact. energy: -2.163
local terms energy: -829.003319
where:
bonds (distance) C4'-P energy: -137.733
bonds (distance) P-C4' energy: -159.266
flat angles C4'-P-C4' energy: -172.952
flat angles P-C4'-P energy: -122.618
tors. eta vs tors. theta energy: -236.434
Dist. restrs. and SS energy: 4.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -2631.026103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.026103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.868470 (E_RNA)
where:
Base-Base interactions energy: -1840.999
where: short stacking energy: -773.563
Base-Backbone interact. energy: -4.618
local terms energy: -795.251778
where:
bonds (distance) C4'-P energy: -150.525
bonds (distance) P-C4' energy: -147.747
flat angles C4'-P-C4' energy: -154.830
flat angles P-C4'-P energy: -116.972
tors. eta vs tors. theta energy: -225.177
Dist. restrs. and SS energy: 9.842 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -2469.300589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.300589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.811940 (E_RNA)
where:
Base-Base interactions energy: -1735.867
where: short stacking energy: -723.741
Base-Backbone interact. energy: -3.534
local terms energy: -744.411129
where:
bonds (distance) C4'-P energy: -129.256
bonds (distance) P-C4' energy: -147.627
flat angles C4'-P-C4' energy: -157.192
flat angles P-C4'-P energy: -106.961
tors. eta vs tors. theta energy: -203.375
Dist. restrs. and SS energy: 14.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -2437.068548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.068548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.088764 (E_RNA)
where:
Base-Base interactions energy: -1714.414
where: short stacking energy: -716.047
Base-Backbone interact. energy: -2.690
local terms energy: -732.984025
where:
bonds (distance) C4'-P energy: -127.418
bonds (distance) P-C4' energy: -143.050
flat angles C4'-P-C4' energy: -159.999
flat angles P-C4'-P energy: -91.154
tors. eta vs tors. theta energy: -211.364
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: 5, replica: 5
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -2328.592605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.592605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.269521 (E_RNA)
where:
Base-Base interactions energy: -1614.154
where: short stacking energy: -682.606
Base-Backbone interact. energy: -2.555
local terms energy: -723.560649
where:
bonds (distance) C4'-P energy: -128.765
bonds (distance) P-C4' energy: -130.304
flat angles C4'-P-C4' energy: -154.536
flat angles P-C4'-P energy: -101.199
tors. eta vs tors. theta energy: -208.757
Dist. restrs. and SS energy: 11.677 (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: 3
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -2266.261067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.261067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.222707 (E_RNA)
where:
Base-Base interactions energy: -1582.719
where: short stacking energy: -659.853
Base-Backbone interact. energy: -2.700
local terms energy: -697.803684
where:
bonds (distance) C4'-P energy: -128.228
bonds (distance) P-C4' energy: -123.962
flat angles C4'-P-C4' energy: -145.886
flat angles P-C4'-P energy: -102.150
tors. eta vs tors. theta energy: -197.577
Dist. restrs. and SS energy: 16.962 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -2196.146672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.146672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.542566 (E_RNA)
where:
Base-Base interactions energy: -1542.677
where: short stacking energy: -621.310
Base-Backbone interact. energy: 0.801
local terms energy: -665.666794
where:
bonds (distance) C4'-P energy: -121.006
bonds (distance) P-C4' energy: -132.519
flat angles C4'-P-C4' energy: -135.819
flat angles P-C4'-P energy: -83.084
tors. eta vs tors. theta energy: -193.239
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: 8, replica: 1
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -2157.406516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.406516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.143134 (E_RNA)
where:
Base-Base interactions energy: -1543.022
where: short stacking energy: -650.840
Base-Backbone interact. energy: 0.170
local terms energy: -629.290967
where:
bonds (distance) C4'-P energy: -116.908
bonds (distance) P-C4' energy: -116.815
flat angles C4'-P-C4' energy: -131.533
flat angles P-C4'-P energy: -75.562
tors. eta vs tors. theta energy: -188.474
Dist. restrs. and SS energy: 14.737 (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: 62
Temperature: 1.300000
Total energy: -1958.556429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.556429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.738279 (E_RNA)
where:
Base-Base interactions energy: -1353.553
where: short stacking energy: -560.873
Base-Backbone interact. energy: -1.751
local terms energy: -623.434666
where:
bonds (distance) C4'-P energy: -110.753
bonds (distance) P-C4' energy: -132.468
flat angles C4'-P-C4' energy: -139.649
flat angles P-C4'-P energy: -88.283
tors. eta vs tors. theta energy: -152.282
Dist. restrs. and SS energy: 20.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -1895.650644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.650644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.044006 (E_RNA)
where:
Base-Base interactions energy: -1340.531
where: short stacking energy: -533.129
Base-Backbone interact. energy: -2.687
local terms energy: -577.826562
where:
bonds (distance) C4'-P energy: -104.466
bonds (distance) P-C4' energy: -129.791
flat angles C4'-P-C4' energy: -119.506
flat angles P-C4'-P energy: -89.392
tors. eta vs tors. theta energy: -134.673
Dist. restrs. and SS energy: 25.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -2671.732453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.732453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.847470 (E_RNA)
where:
Base-Base interactions energy: -1863.957
where: short stacking energy: -786.226
Base-Backbone interact. energy: 3.688
local terms energy: -816.578595
where:
bonds (distance) C4'-P energy: -147.596
bonds (distance) P-C4' energy: -148.286
flat angles C4'-P-C4' energy: -166.084
flat angles P-C4'-P energy: -122.135
tors. eta vs tors. theta energy: -232.477
Dist. restrs. and SS energy: 5.115 (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: 7
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -2597.115551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.115551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.072483 (E_RNA)
where:
Base-Base interactions energy: -1828.636
where: short stacking energy: -761.523
Base-Backbone interact. energy: -4.614
local terms energy: -776.822447
where:
bonds (distance) C4'-P energy: -130.438
bonds (distance) P-C4' energy: -140.740
flat angles C4'-P-C4' energy: -171.808
flat angles P-C4'-P energy: -110.541
tors. eta vs tors. theta energy: -223.296
Dist. restrs. and SS energy: 12.957 (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: 63
Temperature: 1.000000
Total energy: -2466.121656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.121656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.186645 (E_RNA)
where:
Base-Base interactions energy: -1702.360
where: short stacking energy: -715.163
Base-Backbone interact. energy: -2.887
local terms energy: -769.939170
where:
bonds (distance) C4'-P energy: -133.595
bonds (distance) P-C4' energy: -145.547
flat angles C4'-P-C4' energy: -168.249
flat angles P-C4'-P energy: -104.949
tors. eta vs tors. theta energy: -217.599
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: 4, replica: 2
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -2464.727524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.727524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.473231 (E_RNA)
where:
Base-Base interactions energy: -1705.650
where: short stacking energy: -728.146
Base-Backbone interact. energy: -2.746
local terms energy: -772.077293
where:
bonds (distance) C4'-P energy: -133.968
bonds (distance) P-C4' energy: -135.083
flat angles C4'-P-C4' energy: -160.760
flat angles P-C4'-P energy: -116.493
tors. eta vs tors. theta energy: -225.773
Dist. restrs. and SS energy: 15.746 (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: 5
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -2366.824301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.824301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.108614 (E_RNA)
where:
Base-Base interactions energy: -1665.058
where: short stacking energy: -677.401
Base-Backbone interact. energy: -2.757
local terms energy: -707.292928
where:
bonds (distance) C4'-P energy: -128.319
bonds (distance) P-C4' energy: -129.358
flat angles C4'-P-C4' energy: -153.886
flat angles P-C4'-P energy: -94.749
tors. eta vs tors. theta energy: -200.982
Dist. restrs. and SS energy: 8.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -2285.531382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.531382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.901900 (E_RNA)
where:
Base-Base interactions energy: -1599.157
where: short stacking energy: -660.594
Base-Backbone interact. energy: -2.038
local terms energy: -694.706649
where:
bonds (distance) C4'-P energy: -121.466
bonds (distance) P-C4' energy: -133.703
flat angles C4'-P-C4' energy: -149.299
flat angles P-C4'-P energy: -96.639
tors. eta vs tors. theta energy: -193.600
Dist. restrs. and SS energy: 10.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -2229.580740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.580740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.512557 (E_RNA)
where:
Base-Base interactions energy: -1565.447
where: short stacking energy: -657.219
Base-Backbone interact. energy: -1.100
local terms energy: -680.965980
where:
bonds (distance) C4'-P energy: -106.612
bonds (distance) P-C4' energy: -124.049
flat angles C4'-P-C4' energy: -140.399
flat angles P-C4'-P energy: -111.619
tors. eta vs tors. theta energy: -198.287
Dist. restrs. and SS energy: 17.932 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -2172.937439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.937439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.418770 (E_RNA)
where:
Base-Base interactions energy: -1540.511
where: short stacking energy: -646.671
Base-Backbone interact. energy: -4.339
local terms energy: -640.568765
where:
bonds (distance) C4'-P energy: -108.626
bonds (distance) P-C4' energy: -112.078
flat angles C4'-P-C4' energy: -150.546
flat angles P-C4'-P energy: -77.728
tors. eta vs tors. theta energy: -191.589
Dist. restrs. and SS energy: 12.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -1916.837829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.837829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.709743 (E_RNA)
where:
Base-Base interactions energy: -1330.320
where: short stacking energy: -564.740
Base-Backbone interact. energy: 1.055
local terms energy: -608.444716
where:
bonds (distance) C4'-P energy: -121.268
bonds (distance) P-C4' energy: -126.938
flat angles C4'-P-C4' energy: -131.075
flat angles P-C4'-P energy: -62.991
tors. eta vs tors. theta energy: -166.173
Dist. restrs. and SS energy: 20.872 (S_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: 63
Temperature: 1.350000
Total energy: -1877.752931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.752931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.755268 (E_RNA)
where:
Base-Base interactions energy: -1332.424
where: short stacking energy: -550.286
Base-Backbone interact. energy: -1.141
local terms energy: -560.190375
where:
bonds (distance) C4'-P energy: -101.983
bonds (distance) P-C4' energy: -99.372
flat angles C4'-P-C4' energy: -122.594
flat angles P-C4'-P energy: -88.285
tors. eta vs tors. theta energy: -147.957
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: 64
Temperature: 0.900000
Total energy: -2701.291746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.291746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.798905 (E_RNA)
where:
Base-Base interactions energy: -1900.611
where: short stacking energy: -796.384
Base-Backbone interact. energy: -4.979
local terms energy: -801.208493
where:
bonds (distance) C4'-P energy: -149.165
bonds (distance) P-C4' energy: -134.229
flat angles C4'-P-C4' energy: -164.238
flat angles P-C4'-P energy: -119.048
tors. eta vs tors. theta energy: -234.528
Dist. restrs. and SS energy: 5.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -2583.977907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.977907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.999818 (E_RNA)
where:
Base-Base interactions energy: -1823.569
where: short stacking energy: -775.286
Base-Backbone interact. energy: 3.151
local terms energy: -774.582096
where:
bonds (distance) C4'-P energy: -152.838
bonds (distance) P-C4' energy: -138.503
flat angles C4'-P-C4' energy: -150.862
flat angles P-C4'-P energy: -109.947
tors. eta vs tors. theta energy: -222.431
Dist. restrs. and SS energy: 11.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -2527.834415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.834415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.278747 (E_RNA)
where:
Base-Base interactions energy: -1780.775
where: short stacking energy: -719.684
Base-Backbone interact. energy: -4.722
local terms energy: -751.782712
where:
bonds (distance) C4'-P energy: -145.873
bonds (distance) P-C4' energy: -129.121
flat angles C4'-P-C4' energy: -159.080
flat angles P-C4'-P energy: -103.662
tors. eta vs tors. theta energy: -214.047
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: 8
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -2382.980266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.980266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.000176 (E_RNA)
where:
Base-Base interactions energy: -1646.803
where: short stacking energy: -702.043
Base-Backbone interact. energy: -2.429
local terms energy: -745.768152
where:
bonds (distance) C4'-P energy: -134.768
bonds (distance) P-C4' energy: -134.898
flat angles C4'-P-C4' energy: -165.671
flat angles P-C4'-P energy: -113.859
tors. eta vs tors. theta energy: -196.573
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: 5, replica: 5
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -2327.943784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.943784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.296956 (E_RNA)
where:
Base-Base interactions energy: -1637.530
where: short stacking energy: -678.575
Base-Backbone interact. energy: -6.713
local terms energy: -700.053075
where:
bonds (distance) C4'-P energy: -119.717
bonds (distance) P-C4' energy: -143.656
flat angles C4'-P-C4' energy: -144.415
flat angles P-C4'-P energy: -98.889
tors. eta vs tors. theta energy: -193.376
Dist. restrs. and SS energy: 16.353 (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: 64
Temperature: 1.150000
Total energy: -2300.720213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.720213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.322249 (E_RNA)
where:
Base-Base interactions energy: -1624.154
where: short stacking energy: -649.379
Base-Backbone interact. energy: -0.355
local terms energy: -691.813562
where:
bonds (distance) C4'-P energy: -118.792
bonds (distance) P-C4' energy: -126.649
flat angles C4'-P-C4' energy: -143.336
flat angles P-C4'-P energy: -101.547
tors. eta vs tors. theta energy: -201.489
Dist. restrs. and SS energy: 15.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -2221.019733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.019733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.271594 (E_RNA)
where:
Base-Base interactions energy: -1553.007
where: short stacking energy: -656.947
Base-Backbone interact. energy: 2.242
local terms energy: -681.507041
where:
bonds (distance) C4'-P energy: -128.393
bonds (distance) P-C4' energy: -108.664
flat angles C4'-P-C4' energy: -141.493
flat angles P-C4'-P energy: -102.340
tors. eta vs tors. theta energy: -200.618
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: 8, replica: 3
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -2185.783671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.783671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.486960 (E_RNA)
where:
Base-Base interactions energy: -1531.607
where: short stacking energy: -625.975
Base-Backbone interact. energy: -1.043
local terms energy: -670.836605
where:
bonds (distance) C4'-P energy: -119.141
bonds (distance) P-C4' energy: -130.681
flat angles C4'-P-C4' energy: -144.724
flat angles P-C4'-P energy: -91.581
tors. eta vs tors. theta energy: -184.710
Dist. restrs. and SS energy: 17.703 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -1965.624900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.624900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.822347 (E_RNA)
where:
Base-Base interactions energy: -1361.513
where: short stacking energy: -575.708
Base-Backbone interact. energy: -1.515
local terms energy: -619.794078
where:
bonds (distance) C4'-P energy: -118.812
bonds (distance) P-C4' energy: -125.040
flat angles C4'-P-C4' energy: -136.126
flat angles P-C4'-P energy: -80.323
tors. eta vs tors. theta energy: -159.492
Dist. restrs. and SS energy: 17.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -1883.268270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.268270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.112358 (E_RNA)
where:
Base-Base interactions energy: -1323.176
where: short stacking energy: -510.844
Base-Backbone interact. energy: 1.129
local terms energy: -574.065683
where:
bonds (distance) C4'-P energy: -120.442
bonds (distance) P-C4' energy: -129.935
flat angles C4'-P-C4' energy: -120.896
flat angles P-C4'-P energy: -65.005
tors. eta vs tors. theta energy: -137.788
Dist. restrs. and SS energy: 12.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -2663.654581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.654581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.724877 (E_RNA)
where:
Base-Base interactions energy: -1852.738
where: short stacking energy: -769.831
Base-Backbone interact. energy: -3.488
local terms energy: -815.498702
where:
bonds (distance) C4'-P energy: -145.978
bonds (distance) P-C4' energy: -152.099
flat angles C4'-P-C4' energy: -168.526
flat angles P-C4'-P energy: -118.010
tors. eta vs tors. theta energy: -230.886
Dist. restrs. and SS energy: 8.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -2554.712463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.712463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.480887 (E_RNA)
where:
Base-Base interactions energy: -1824.770
where: short stacking energy: -773.123
Base-Backbone interact. energy: -2.301
local terms energy: -738.409326
where:
bonds (distance) C4'-P energy: -107.321
bonds (distance) P-C4' energy: -133.970
flat angles C4'-P-C4' energy: -160.999
flat angles P-C4'-P energy: -114.770
tors. eta vs tors. theta energy: -221.349
Dist. restrs. and SS energy: 10.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -2539.970575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.970575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.235313 (E_RNA)
where:
Base-Base interactions energy: -1806.850
where: short stacking energy: -733.968
Base-Backbone interact. energy: -1.876
local terms energy: -742.508475
where:
bonds (distance) C4'-P energy: -135.403
bonds (distance) P-C4' energy: -149.344
flat angles C4'-P-C4' energy: -148.871
flat angles P-C4'-P energy: -97.185
tors. eta vs tors. theta energy: -211.705
Dist. restrs. and SS energy: 11.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -2387.555891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.555891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.372023 (E_RNA)
where:
Base-Base interactions energy: -1671.982
where: short stacking energy: -700.741
Base-Backbone interact. energy: 0.855
local terms energy: -728.245938
where:
bonds (distance) C4'-P energy: -136.760
bonds (distance) P-C4' energy: -138.841
flat angles C4'-P-C4' energy: -153.019
flat angles P-C4'-P energy: -94.134
tors. eta vs tors. theta energy: -205.492
Dist. restrs. and SS energy: 11.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -2333.223214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.223214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.978006 (E_RNA)
where:
Base-Base interactions energy: -1628.259
where: short stacking energy: -683.776
Base-Backbone interact. energy: -0.276
local terms energy: -717.442302
where:
bonds (distance) C4'-P energy: -146.730
bonds (distance) P-C4' energy: -118.713
flat angles C4'-P-C4' energy: -162.753
flat angles P-C4'-P energy: -83.639
tors. eta vs tors. theta energy: -205.608
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: 6, replica: 9
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -2288.994080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.994080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.044169 (E_RNA)
where:
Base-Base interactions energy: -1603.928
where: short stacking energy: -661.880
Base-Backbone interact. energy: -2.146
local terms energy: -701.970181
where:
bonds (distance) C4'-P energy: -133.489
bonds (distance) P-C4' energy: -127.547
flat angles C4'-P-C4' energy: -153.230
flat angles P-C4'-P energy: -96.087
tors. eta vs tors. theta energy: -191.617
Dist. restrs. and SS energy: 19.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -2213.967828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.967828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.835446 (E_RNA)
where:
Base-Base interactions energy: -1589.014
where: short stacking energy: -643.900
Base-Backbone interact. energy: -0.067
local terms energy: -637.754252
where:
bonds (distance) C4'-P energy: -111.380
bonds (distance) P-C4' energy: -120.050
flat angles C4'-P-C4' energy: -135.496
flat angles P-C4'-P energy: -88.210
tors. eta vs tors. theta energy: -182.618
Dist. restrs. and SS energy: 12.868 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -2126.313525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.313525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.459793 (E_RNA)
where:
Base-Base interactions energy: -1527.295
where: short stacking energy: -645.207
Base-Backbone interact. energy: 5.438
local terms energy: -620.603420
where:
bonds (distance) C4'-P energy: -103.713
bonds (distance) P-C4' energy: -108.168
flat angles C4'-P-C4' energy: -138.874
flat angles P-C4'-P energy: -82.242
tors. eta vs tors. theta energy: -187.606
Dist. restrs. and SS energy: 16.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -1924.983054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.983054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.760045 (E_RNA)
where:
Base-Base interactions energy: -1347.386
where: short stacking energy: -548.974
Base-Backbone interact. energy: 2.906
local terms energy: -601.279236
where:
bonds (distance) C4'-P energy: -127.912
bonds (distance) P-C4' energy: -112.113
flat angles C4'-P-C4' energy: -142.347
flat angles P-C4'-P energy: -66.162
tors. eta vs tors. theta energy: -152.745
Dist. restrs. and SS energy: 20.777 (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: 4
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -1892.163796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.163796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.444561 (E_RNA)
where:
Base-Base interactions energy: -1347.476
where: short stacking energy: -536.402
Base-Backbone interact. energy: 2.679
local terms energy: -568.647377
where:
bonds (distance) C4'-P energy: -95.952
bonds (distance) P-C4' energy: -109.587
flat angles C4'-P-C4' energy: -131.079
flat angles P-C4'-P energy: -84.338
tors. eta vs tors. theta energy: -147.690
Dist. restrs. and SS energy: 21.281 (S_DIST_RNA)
chem. 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: -2676.266787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.266787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.729184 (E_RNA)
where:
Base-Base interactions energy: -1873.630
where: short stacking energy: -792.470
Base-Backbone interact. energy: -1.357
local terms energy: -810.743001
where:
bonds (distance) C4'-P energy: -144.790
bonds (distance) P-C4' energy: -151.414
flat angles C4'-P-C4' energy: -165.895
flat angles P-C4'-P energy: -109.632
tors. eta vs tors. theta energy: -239.012
Dist. restrs. and SS energy: 9.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -2568.097434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.097434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.851957 (E_RNA)
where:
Base-Base interactions energy: -1801.095
where: short stacking energy: -761.819
Base-Backbone interact. energy: -0.691
local terms energy: -776.066648
where:
bonds (distance) C4'-P energy: -139.239
bonds (distance) P-C4' energy: -138.608
flat angles C4'-P-C4' energy: -172.055
flat angles P-C4'-P energy: -109.200
tors. eta vs tors. theta energy: -216.965
Dist. restrs. and SS energy: 9.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -2533.583569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.583569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.769990 (E_RNA)
where:
Base-Base interactions energy: -1796.008
where: short stacking energy: -763.936
Base-Backbone interact. energy: -1.980
local terms energy: -752.781778
where:
bonds (distance) C4'-P energy: -137.060
bonds (distance) P-C4' energy: -124.845
flat angles C4'-P-C4' energy: -163.527
flat angles P-C4'-P energy: -114.767
tors. eta vs tors. theta energy: -212.584
Dist. restrs. and SS energy: 17.186 (S_DIST_RNA)
chem. 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: -2412.148411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.148411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.554956 (E_RNA)
where:
Base-Base interactions energy: -1680.672
where: short stacking energy: -699.655
Base-Backbone interact. energy: -3.196
local terms energy: -739.686761
where:
bonds (distance) C4'-P energy: -129.260
bonds (distance) P-C4' energy: -130.729
flat angles C4'-P-C4' energy: -149.920
flat angles P-C4'-P energy: -114.603
tors. eta vs tors. theta energy: -215.175
Dist. restrs. and SS energy: 11.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -2322.558836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.558836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.873228 (E_RNA)
where:
Base-Base interactions energy: -1609.511
where: short stacking energy: -669.050
Base-Backbone interact. energy: -2.806
local terms energy: -725.556190
where:
bonds (distance) C4'-P energy: -137.682
bonds (distance) P-C4' energy: -126.277
flat angles C4'-P-C4' energy: -156.743
flat angles P-C4'-P energy: -96.569
tors. eta vs tors. theta energy: -208.285
Dist. restrs. and SS energy: 15.314 (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: 66
Temperature: 1.150000
Total energy: -2264.692519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.692519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.114718 (E_RNA)
where:
Base-Base interactions energy: -1595.919
where: short stacking energy: -671.639
Base-Backbone interact. energy: -1.055
local terms energy: -681.140836
where:
bonds (distance) C4'-P energy: -112.284
bonds (distance) P-C4' energy: -145.612
flat angles C4'-P-C4' energy: -130.972
flat angles P-C4'-P energy: -96.421
tors. eta vs tors. theta energy: -195.853
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: 1
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -2230.302094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.302094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.369225 (E_RNA)
where:
Base-Base interactions energy: -1579.247
where: short stacking energy: -673.696
Base-Backbone interact. energy: 7.569
local terms energy: -677.691718
where:
bonds (distance) C4'-P energy: -109.998
bonds (distance) P-C4' energy: -132.437
flat angles C4'-P-C4' energy: -145.044
flat angles P-C4'-P energy: -85.322
tors. eta vs tors. theta energy: -204.891
Dist. restrs. and SS energy: 19.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -2132.442955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.442955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.593078 (E_RNA)
where:
Base-Base interactions energy: -1487.803
where: short stacking energy: -609.906
Base-Backbone interact. energy: -2.420
local terms energy: -651.369774
where:
bonds (distance) C4'-P energy: -121.487
bonds (distance) P-C4' energy: -122.763
flat angles C4'-P-C4' energy: -137.616
flat angles P-C4'-P energy: -82.407
tors. eta vs tors. theta energy: -187.097
Dist. restrs. and SS energy: 9.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -1884.848808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.848808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.723933 (E_RNA)
where:
Base-Base interactions energy: -1315.869
where: short stacking energy: -552.067
Base-Backbone interact. energy: -0.034
local terms energy: -599.820724
where:
bonds (distance) C4'-P energy: -109.033
bonds (distance) P-C4' energy: -128.960
flat angles C4'-P-C4' energy: -134.124
flat angles P-C4'-P energy: -76.847
tors. eta vs tors. theta energy: -150.857
Dist. restrs. and SS energy: 30.875 (S_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: 66
Temperature: 1.350000
Total energy: -1808.318307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.318307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.864115 (E_RNA)
where:
Base-Base interactions energy: -1300.975
where: short stacking energy: -540.332
Base-Backbone interact. energy: 2.482
local terms energy: -530.371338
where:
bonds (distance) C4'-P energy: -86.873
bonds (distance) P-C4' energy: -107.244
flat angles C4'-P-C4' energy: -108.195
flat angles P-C4'-P energy: -76.963
tors. eta vs tors. theta energy: -151.096
Dist. restrs. and SS energy: 20.546 (S_DIST_RNA)
chem. 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: -2701.598906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.598906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.122026 (E_RNA)
where:
Base-Base interactions energy: -1872.056
where: short stacking energy: -802.758
Base-Backbone interact. energy: -1.865
local terms energy: -832.201406
where:
bonds (distance) C4'-P energy: -146.335
bonds (distance) P-C4' energy: -150.053
flat angles C4'-P-C4' energy: -170.863
flat angles P-C4'-P energy: -118.926
tors. eta vs tors. theta energy: -246.025
Dist. restrs. and SS energy: 4.523 (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: 2
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -2633.544504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.544504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.134333 (E_RNA)
where:
Base-Base interactions energy: -1825.417
where: short stacking energy: -766.941
Base-Backbone interact. energy: -4.311
local terms energy: -811.406231
where:
bonds (distance) C4'-P energy: -156.012
bonds (distance) P-C4' energy: -140.107
flat angles C4'-P-C4' energy: -171.369
flat angles P-C4'-P energy: -123.462
tors. eta vs tors. theta energy: -220.456
Dist. restrs. and SS energy: 7.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -2481.226810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.226810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.667421 (E_RNA)
where:
Base-Base interactions energy: -1743.823
where: short stacking energy: -733.416
Base-Backbone interact. energy: -2.525
local terms energy: -750.319085
where:
bonds (distance) C4'-P energy: -123.043
bonds (distance) P-C4' energy: -136.048
flat angles C4'-P-C4' energy: -168.415
flat angles P-C4'-P energy: -107.145
tors. eta vs tors. theta energy: -215.668
Dist. restrs. and SS energy: 15.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -2416.241784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.241784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.771404 (E_RNA)
where:
Base-Base interactions energy: -1708.408
where: short stacking energy: -714.079
Base-Backbone interact. energy: -2.043
local terms energy: -717.320218
where:
bonds (distance) C4'-P energy: -123.420
bonds (distance) P-C4' energy: -138.209
flat angles C4'-P-C4' energy: -156.975
flat angles P-C4'-P energy: -91.768
tors. eta vs tors. theta energy: -206.948
Dist. restrs. and SS energy: 11.530 (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: 5
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -2359.235578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.235578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.086157 (E_RNA)
where:
Base-Base interactions energy: -1648.004
where: short stacking energy: -684.826
Base-Backbone interact. energy: -3.655
local terms energy: -718.426945
where:
bonds (distance) C4'-P energy: -132.138
bonds (distance) P-C4' energy: -129.814
flat angles C4'-P-C4' energy: -151.665
flat angles P-C4'-P energy: -95.496
tors. eta vs tors. theta energy: -209.315
Dist. restrs. and SS energy: 10.851 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -2317.958500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.958500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.778027 (E_RNA)
where:
Base-Base interactions energy: -1646.299
where: short stacking energy: -671.316
Base-Backbone interact. energy: -4.055
local terms energy: -680.424391
where:
bonds (distance) C4'-P energy: -117.812
bonds (distance) P-C4' energy: -125.827
flat angles C4'-P-C4' energy: -153.762
flat angles P-C4'-P energy: -95.198
tors. eta vs tors. theta energy: -187.826
Dist. restrs. and SS energy: 12.820 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -2228.363884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.363884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.038582 (E_RNA)
where:
Base-Base interactions energy: -1597.650
where: short stacking energy: -654.998
Base-Backbone interact. energy: -0.914
local terms energy: -643.474869
where:
bonds (distance) C4'-P energy: -114.072
bonds (distance) P-C4' energy: -126.378
flat angles C4'-P-C4' energy: -137.707
flat angles P-C4'-P energy: -79.956
tors. eta vs tors. theta energy: -185.361
Dist. restrs. and SS energy: 13.675 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -2143.317695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.317695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.851962 (E_RNA)
where:
Base-Base interactions energy: -1513.704
where: short stacking energy: -654.053
Base-Backbone interact. energy: 1.252
local terms energy: -648.400485
where:
bonds (distance) C4'-P energy: -134.206
bonds (distance) P-C4' energy: -119.398
flat angles C4'-P-C4' energy: -133.276
flat angles P-C4'-P energy: -70.904
tors. eta vs tors. theta energy: -190.617
Dist. restrs. and SS energy: 17.534 (S_DIST_RNA)
chem. 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: -1940.672777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.672777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.121957 (E_RNA)
where:
Base-Base interactions energy: -1349.320
where: short stacking energy: -556.457
Base-Backbone interact. energy: -1.079
local terms energy: -609.722126
where:
bonds (distance) C4'-P energy: -122.513
bonds (distance) P-C4' energy: -115.832
flat angles C4'-P-C4' energy: -138.831
flat angles P-C4'-P energy: -81.423
tors. eta vs tors. theta energy: -151.123
Dist. restrs. and SS energy: 19.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -1840.866420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.866420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.671913 (E_RNA)
where:
Base-Base interactions energy: -1293.411
where: short stacking energy: -548.199
Base-Backbone interact. energy: -2.774
local terms energy: -561.486960
where:
bonds (distance) C4'-P energy: -92.627
bonds (distance) P-C4' energy: -115.896
flat angles C4'-P-C4' energy: -126.816
flat angles P-C4'-P energy: -76.839
tors. eta vs tors. theta energy: -149.309
Dist. restrs. and SS energy: 16.805 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -2702.545811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.545811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.397562 (E_RNA)
where:
Base-Base interactions energy: -1896.258
where: short stacking energy: -780.878
Base-Backbone interact. energy: -5.189
local terms energy: -806.950584
where:
bonds (distance) C4'-P energy: -129.185
bonds (distance) P-C4' energy: -149.120
flat angles C4'-P-C4' energy: -172.244
flat angles P-C4'-P energy: -113.706
tors. eta vs tors. theta energy: -242.696
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: 2, replica: 2
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -2595.915026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.915026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.165261 (E_RNA)
where:
Base-Base interactions energy: -1810.166
where: short stacking energy: -746.406
Base-Backbone interact. energy: 2.789
local terms energy: -797.788188
where:
bonds (distance) C4'-P energy: -144.914
bonds (distance) P-C4' energy: -131.639
flat angles C4'-P-C4' energy: -178.554
flat angles P-C4'-P energy: -119.031
tors. eta vs tors. theta energy: -223.650
Dist. restrs. and SS energy: 9.250 (S_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: 68
Temperature: 1.000000
Total energy: -2484.340820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.340820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.868786 (E_RNA)
where:
Base-Base interactions energy: -1751.329
where: short stacking energy: -732.945
Base-Backbone interact. energy: -0.591
local terms energy: -744.948798
where:
bonds (distance) C4'-P energy: -128.389
bonds (distance) P-C4' energy: -138.537
flat angles C4'-P-C4' energy: -160.605
flat angles P-C4'-P energy: -99.377
tors. eta vs tors. theta energy: -218.040
Dist. restrs. and SS energy: 12.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -2458.537725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.537725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.918790 (E_RNA)
where:
Base-Base interactions energy: -1730.519
where: short stacking energy: -710.986
Base-Backbone interact. energy: 1.988
local terms energy: -742.387752
where:
bonds (distance) C4'-P energy: -129.704
bonds (distance) P-C4' energy: -146.747
flat angles C4'-P-C4' energy: -154.553
flat angles P-C4'-P energy: -100.527
tors. eta vs tors. theta energy: -210.858
Dist. restrs. and SS energy: 12.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -2368.302293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.302293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.095266 (E_RNA)
where:
Base-Base interactions energy: -1678.504
where: short stacking energy: -714.037
Base-Backbone interact. energy: -3.469
local terms energy: -695.122153
where:
bonds (distance) C4'-P energy: -133.676
bonds (distance) P-C4' energy: -112.253
flat angles C4'-P-C4' energy: -149.570
flat angles P-C4'-P energy: -93.911
tors. eta vs tors. theta energy: -205.711
Dist. restrs. and SS energy: 8.793 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -2307.520270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.520270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.314387 (E_RNA)
where:
Base-Base interactions energy: -1614.631
where: short stacking energy: -688.159
Base-Backbone interact. energy: 0.735
local terms energy: -701.417488
where:
bonds (distance) C4'-P energy: -125.108
bonds (distance) P-C4' energy: -145.942
flat angles C4'-P-C4' energy: -145.400
flat angles P-C4'-P energy: -86.024
tors. eta vs tors. theta energy: -198.943
Dist. restrs. and SS energy: 7.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -2208.341308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.341308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.041094 (E_RNA)
where:
Base-Base interactions energy: -1546.547
where: short stacking energy: -663.262
Base-Backbone interact. energy: -1.214
local terms energy: -677.280884
where:
bonds (distance) C4'-P energy: -113.448
bonds (distance) P-C4' energy: -107.228
flat angles C4'-P-C4' energy: -165.351
flat angles P-C4'-P energy: -93.318
tors. eta vs tors. theta energy: -197.936
Dist. restrs. and SS energy: 16.700 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -2089.600846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.600846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.729494 (E_RNA)
where:
Base-Base interactions energy: -1509.281
where: short stacking energy: -624.380
Base-Backbone interact. energy: -4.069
local terms energy: -592.379261
where:
bonds (distance) C4'-P energy: -108.725
bonds (distance) P-C4' energy: -95.502
flat angles C4'-P-C4' energy: -130.348
flat angles P-C4'-P energy: -79.374
tors. eta vs tors. theta energy: -178.430
Dist. restrs. and SS energy: 16.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -1922.093227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.093227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.860954 (E_RNA)
where:
Base-Base interactions energy: -1345.063
where: short stacking energy: -557.876
Base-Backbone interact. energy: -3.159
local terms energy: -593.638726
where:
bonds (distance) C4'-P energy: -110.291
bonds (distance) P-C4' energy: -120.143
flat angles C4'-P-C4' energy: -124.140
flat angles P-C4'-P energy: -81.581
tors. eta vs tors. theta energy: -157.483
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: 10, replica: 4
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -1871.595527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.595527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.805838 (E_RNA)
where:
Base-Base interactions energy: -1309.750
where: short stacking energy: -555.021
Base-Backbone interact. energy: -1.655
local terms energy: -580.400656
where:
bonds (distance) C4'-P energy: -105.762
bonds (distance) P-C4' energy: -111.505
flat angles C4'-P-C4' energy: -130.853
flat angles P-C4'-P energy: -78.697
tors. eta vs tors. theta energy: -153.585
Dist. restrs. and SS energy: 20.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -2689.926621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.926621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.872676 (E_RNA)
where:
Base-Base interactions energy: -1892.119
where: short stacking energy: -802.007
Base-Backbone interact. energy: -1.057
local terms energy: -802.696793
where:
bonds (distance) C4'-P energy: -139.687
bonds (distance) P-C4' energy: -153.438
flat angles C4'-P-C4' energy: -164.670
flat angles P-C4'-P energy: -104.806
tors. eta vs tors. theta energy: -240.095
Dist. restrs. and SS energy: 5.946 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -2617.389089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.389089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.371580 (E_RNA)
where:
Base-Base interactions energy: -1838.398
where: short stacking energy: -757.790
Base-Backbone interact. energy: -3.446
local terms energy: -780.527234
where:
bonds (distance) C4'-P energy: -148.365
bonds (distance) P-C4' energy: -154.331
flat angles C4'-P-C4' energy: -146.761
flat angles P-C4'-P energy: -113.088
tors. eta vs tors. theta energy: -217.982
Dist. restrs. and SS energy: 4.982 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -2487.491695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.491695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.028907 (E_RNA)
where:
Base-Base interactions energy: -1740.362
where: short stacking energy: -732.809
Base-Backbone interact. energy: -1.520
local terms energy: -762.146853
where:
bonds (distance) C4'-P energy: -139.206
bonds (distance) P-C4' energy: -134.692
flat angles C4'-P-C4' energy: -166.566
flat angles P-C4'-P energy: -101.537
tors. eta vs tors. theta energy: -220.146
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: 4, replica: 8
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -2508.403513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.403513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.321111 (E_RNA)
where:
Base-Base interactions energy: -1733.968
where: short stacking energy: -745.922
Base-Backbone interact. energy: -4.952
local terms energy: -780.400993
where:
bonds (distance) C4'-P energy: -144.196
bonds (distance) P-C4' energy: -147.550
flat angles C4'-P-C4' energy: -158.016
flat angles P-C4'-P energy: -106.455
tors. eta vs tors. theta energy: -224.184
Dist. restrs. and SS energy: 10.918 (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: 69
Temperature: 1.100000
Total energy: -2342.053051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.053051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.476221 (E_RNA)
where:
Base-Base interactions energy: -1659.419
where: short stacking energy: -696.525
Base-Backbone interact. energy: -4.127
local terms energy: -685.929809
where:
bonds (distance) C4'-P energy: -118.006
bonds (distance) P-C4' energy: -147.781
flat angles C4'-P-C4' energy: -147.384
flat angles P-C4'-P energy: -81.671
tors. eta vs tors. theta energy: -191.088
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: 9
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -2283.296565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.296565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.233330 (E_RNA)
where:
Base-Base interactions energy: -1618.107
where: short stacking energy: -704.655
Base-Backbone interact. energy: -2.093
local terms energy: -672.032752
where:
bonds (distance) C4'-P energy: -125.442
bonds (distance) P-C4' energy: -108.535
flat angles C4'-P-C4' energy: -144.637
flat angles P-C4'-P energy: -97.944
tors. eta vs tors. theta energy: -195.475
Dist. restrs. and SS energy: 8.937 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -2267.672145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.672145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.940653 (E_RNA)
where:
Base-Base interactions energy: -1566.429
where: short stacking energy: -643.225
Base-Backbone interact. energy: 1.066
local terms energy: -710.577925
where:
bonds (distance) C4'-P energy: -125.372
bonds (distance) P-C4' energy: -129.649
flat angles C4'-P-C4' energy: -150.145
flat angles P-C4'-P energy: -100.797
tors. eta vs tors. theta energy: -204.616
Dist. restrs. and SS energy: 8.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -2108.034816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.034816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.473536 (E_RNA)
where:
Base-Base interactions energy: -1458.717
where: short stacking energy: -612.232
Base-Backbone interact. energy: -1.204
local terms energy: -666.552744
where:
bonds (distance) C4'-P energy: -133.886
bonds (distance) P-C4' energy: -112.581
flat angles C4'-P-C4' energy: -143.230
flat angles P-C4'-P energy: -94.883
tors. eta vs tors. theta energy: -181.972
Dist. restrs. and SS energy: 18.439 (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: 6
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -1921.270738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.270738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.156629 (E_RNA)
where:
Base-Base interactions energy: -1342.201
where: short stacking energy: -579.200
Base-Backbone interact. energy: -1.321
local terms energy: -605.634320
where:
bonds (distance) C4'-P energy: -111.741
bonds (distance) P-C4' energy: -109.508
flat angles C4'-P-C4' energy: -134.864
flat angles P-C4'-P energy: -90.243
tors. eta vs tors. theta energy: -159.278
Dist. restrs. and SS energy: 27.886 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -1860.489337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.489337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.398036 (E_RNA)
where:
Base-Base interactions energy: -1332.928
where: short stacking energy: -530.339
Base-Backbone interact. energy: -1.668
local terms energy: -545.802555
where:
bonds (distance) C4'-P energy: -86.919
bonds (distance) P-C4' energy: -112.884
flat angles C4'-P-C4' energy: -127.829
flat angles P-C4'-P energy: -76.986
tors. eta vs tors. theta energy: -141.185
Dist. restrs. and SS energy: 19.909 (S_DIST_RNA)
chem. 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: -2680.418264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.418264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.049488 (E_RNA)
where:
Base-Base interactions energy: -1871.497
where: short stacking energy: -799.355
Base-Backbone interact. energy: -3.392
local terms energy: -810.160629
where:
bonds (distance) C4'-P energy: -136.475
bonds (distance) P-C4' energy: -152.366
flat angles C4'-P-C4' energy: -176.688
flat angles P-C4'-P energy: -110.058
tors. eta vs tors. theta energy: -234.574
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: 2, replica: 2
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -2594.419543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.419543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.471135 (E_RNA)
where:
Base-Base interactions energy: -1837.717
where: short stacking energy: -758.798
Base-Backbone interact. energy: 1.905
local terms energy: -765.659605
where:
bonds (distance) C4'-P energy: -141.850
bonds (distance) P-C4' energy: -137.402
flat angles C4'-P-C4' energy: -158.709
flat angles P-C4'-P energy: -106.587
tors. eta vs tors. theta energy: -221.112
Dist. restrs. and SS energy: 7.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -2458.711511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.711511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.244917 (E_RNA)
where:
Base-Base interactions energy: -1708.776
where: short stacking energy: -727.715
Base-Backbone interact. energy: -2.721
local terms energy: -760.748490
where:
bonds (distance) C4'-P energy: -142.397
bonds (distance) P-C4' energy: -129.834
flat angles C4'-P-C4' energy: -160.304
flat angles P-C4'-P energy: -105.687
tors. eta vs tors. theta energy: -222.527
Dist. restrs. and SS energy: 13.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -2448.870689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.870689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.421179 (E_RNA)
where:
Base-Base interactions energy: -1718.273
where: short stacking energy: -728.140
Base-Backbone interact. energy: -4.786
local terms energy: -733.361637
where:
bonds (distance) C4'-P energy: -147.220
bonds (distance) P-C4' energy: -127.745
flat angles C4'-P-C4' energy: -135.549
flat angles P-C4'-P energy: -112.624
tors. eta vs tors. theta energy: -210.224
Dist. restrs. and SS energy: 7.550 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -2349.529593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.529593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.057684 (E_RNA)
where:
Base-Base interactions energy: -1666.422
where: short stacking energy: -690.503
Base-Backbone interact. energy: -1.879
local terms energy: -691.756687
where:
bonds (distance) C4'-P energy: -127.942
bonds (distance) P-C4' energy: -137.110
flat angles C4'-P-C4' energy: -140.579
flat angles P-C4'-P energy: -84.012
tors. eta vs tors. theta energy: -202.113
Dist. restrs. and SS energy: 10.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -2244.202240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.202240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.831979 (E_RNA)
where:
Base-Base interactions energy: -1543.563
where: short stacking energy: -642.844
Base-Backbone interact. energy: -3.357
local terms energy: -710.912039
where:
bonds (distance) C4'-P energy: -125.343
bonds (distance) P-C4' energy: -160.790
flat angles C4'-P-C4' energy: -154.767
flat angles P-C4'-P energy: -82.381
tors. eta vs tors. theta energy: -187.631
Dist. restrs. and SS energy: 13.630 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -2233.933876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.933876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.844566 (E_RNA)
where:
Base-Base interactions energy: -1542.815
where: short stacking energy: -656.676
Base-Backbone interact. energy: -0.455
local terms energy: -704.574643
where:
bonds (distance) C4'-P energy: -119.964
bonds (distance) P-C4' energy: -142.284
flat angles C4'-P-C4' energy: -148.373
flat angles P-C4'-P energy: -102.506
tors. eta vs tors. theta energy: -191.448
Dist. restrs. and SS energy: 13.911 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -2113.032683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.032683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.222383 (E_RNA)
where:
Base-Base interactions energy: -1518.211
where: short stacking energy: -643.223
Base-Backbone interact. energy: -1.248
local terms energy: -616.763029
where:
bonds (distance) C4'-P energy: -108.676
bonds (distance) P-C4' energy: -111.478
flat angles C4'-P-C4' energy: -127.834
flat angles P-C4'-P energy: -84.765
tors. eta vs tors. theta energy: -184.010
Dist. restrs. and SS energy: 23.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -1941.729075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.729075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.314988 (E_RNA)
where:
Base-Base interactions energy: -1378.423
where: short stacking energy: -566.749
Base-Backbone interact. energy: -2.975
local terms energy: -581.917911
where:
bonds (distance) C4'-P energy: -110.604
bonds (distance) P-C4' energy: -116.677
flat angles C4'-P-C4' energy: -133.777
flat angles P-C4'-P energy: -67.620
tors. eta vs tors. theta energy: -153.241
Dist. restrs. and SS energy: 21.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -1874.356097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.356097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.018060 (E_RNA)
where:
Base-Base interactions energy: -1292.176
where: short stacking energy: -552.970
Base-Backbone interact. energy: -3.644
local terms energy: -609.197585
where:
bonds (distance) C4'-P energy: -109.717
bonds (distance) P-C4' energy: -117.391
flat angles C4'-P-C4' energy: -140.324
flat angles P-C4'-P energy: -86.489
tors. eta vs tors. theta energy: -155.277
Dist. restrs. and SS energy: 30.662 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -2698.306446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.306446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.083829 (E_RNA)
where:
Base-Base interactions energy: -1882.234
where: short stacking energy: -802.380
Base-Backbone interact. energy: -2.587
local terms energy: -818.262619
where:
bonds (distance) C4'-P energy: -152.782
bonds (distance) P-C4' energy: -137.864
flat angles C4'-P-C4' energy: -177.338
flat angles P-C4'-P energy: -118.582
tors. eta vs tors. theta energy: -231.697
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: 2, replica: 2
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -2617.368707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.368707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.209230 (E_RNA)
where:
Base-Base interactions energy: -1844.471
where: short stacking energy: -763.779
Base-Backbone interact. energy: -1.240
local terms energy: -776.498079
where:
bonds (distance) C4'-P energy: -130.024
bonds (distance) P-C4' energy: -144.503
flat angles C4'-P-C4' energy: -159.229
flat angles P-C4'-P energy: -118.531
tors. eta vs tors. theta energy: -224.212
Dist. restrs. and SS energy: 4.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -2465.460152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.460152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.861926 (E_RNA)
where:
Base-Base interactions energy: -1712.478
where: short stacking energy: -736.512
Base-Backbone interact. energy: -2.749
local terms energy: -762.635743
where:
bonds (distance) C4'-P energy: -130.571
bonds (distance) P-C4' energy: -146.317
flat angles C4'-P-C4' energy: -163.504
flat angles P-C4'-P energy: -100.112
tors. eta vs tors. theta energy: -222.131
Dist. restrs. and SS energy: 12.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -2441.267024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.267024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.541754 (E_RNA)
where:
Base-Base interactions energy: -1685.029
where: short stacking energy: -707.298
Base-Backbone interact. energy: -4.336
local terms energy: -761.177060
where:
bonds (distance) C4'-P energy: -140.687
bonds (distance) P-C4' energy: -143.706
flat angles C4'-P-C4' energy: -165.057
flat angles P-C4'-P energy: -92.305
tors. eta vs tors. theta energy: -219.423
Dist. restrs. and SS energy: 9.275 (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: 71
Temperature: 1.100000
Total energy: -2334.657009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.657009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.697503 (E_RNA)
where:
Base-Base interactions energy: -1638.159
where: short stacking energy: -694.216
Base-Backbone interact. energy: -3.129
local terms energy: -710.409585
where:
bonds (distance) C4'-P energy: -127.382
bonds (distance) P-C4' energy: -140.163
flat angles C4'-P-C4' energy: -144.297
flat angles P-C4'-P energy: -106.605
tors. eta vs tors. theta energy: -191.963
Dist. restrs. and SS energy: 17.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -2243.837324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.837324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.508379 (E_RNA)
where:
Base-Base interactions energy: -1572.952
where: short stacking energy: -667.556
Base-Backbone interact. energy: -2.626
local terms energy: -681.931217
where:
bonds (distance) C4'-P energy: -139.535
bonds (distance) P-C4' energy: -127.141
flat angles C4'-P-C4' energy: -146.411
flat angles P-C4'-P energy: -89.990
tors. eta vs tors. theta energy: -178.855
Dist. restrs. and SS energy: 13.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -2262.118296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.118296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.054751 (E_RNA)
where:
Base-Base interactions energy: -1577.042
where: short stacking energy: -639.466
Base-Backbone interact. energy: -4.223
local terms energy: -687.789221
where:
bonds (distance) C4'-P energy: -131.101
bonds (distance) P-C4' energy: -122.960
flat angles C4'-P-C4' energy: -148.674
flat angles P-C4'-P energy: -100.511
tors. eta vs tors. theta energy: -184.543
Dist. restrs. and SS energy: 6.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -2075.728121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.728121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.064715 (E_RNA)
where:
Base-Base interactions energy: -1444.718
where: short stacking energy: -618.556
Base-Backbone interact. energy: -5.933
local terms energy: -645.412933
where:
bonds (distance) C4'-P energy: -123.563
bonds (distance) P-C4' energy: -135.576
flat angles C4'-P-C4' energy: -128.190
flat angles P-C4'-P energy: -81.510
tors. eta vs tors. theta energy: -176.573
Dist. restrs. and SS energy: 20.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -1973.547939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.547939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.053360 (E_RNA)
where:
Base-Base interactions energy: -1396.249
where: short stacking energy: -588.955
Base-Backbone interact. energy: 0.841
local terms energy: -595.646227
where:
bonds (distance) C4'-P energy: -104.081
bonds (distance) P-C4' energy: -117.346
flat angles C4'-P-C4' energy: -133.278
flat angles P-C4'-P energy: -93.119
tors. eta vs tors. theta energy: -147.822
Dist. restrs. and SS energy: 17.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -1824.011077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.011077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.219720 (E_RNA)
where:
Base-Base interactions energy: -1305.309
where: short stacking energy: -526.118
Base-Backbone interact. energy: 0.674
local terms energy: -555.584125
where:
bonds (distance) C4'-P energy: -102.548
bonds (distance) P-C4' energy: -104.420
flat angles C4'-P-C4' energy: -134.673
flat angles P-C4'-P energy: -71.394
tors. eta vs tors. theta energy: -142.550
Dist. restrs. and SS energy: 36.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -2667.449736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.449736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.716139 (E_RNA)
where:
Base-Base interactions energy: -1864.132
where: short stacking energy: -781.226
Base-Backbone interact. energy: -1.918
local terms energy: -806.665851
where:
bonds (distance) C4'-P energy: -142.523
bonds (distance) P-C4' energy: -151.662
flat angles C4'-P-C4' energy: -169.221
flat angles P-C4'-P energy: -107.390
tors. eta vs tors. theta energy: -235.870
Dist. restrs. and SS energy: 5.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -2575.634374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.634374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.887658 (E_RNA)
where:
Base-Base interactions energy: -1797.239
where: short stacking energy: -766.447
Base-Backbone interact. energy: -1.517
local terms energy: -783.131871
where:
bonds (distance) C4'-P energy: -148.146
bonds (distance) P-C4' energy: -146.068
flat angles C4'-P-C4' energy: -168.060
flat angles P-C4'-P energy: -110.085
tors. eta vs tors. theta energy: -210.773
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: 3, replica: 7
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -2503.700634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.700634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.274590 (E_RNA)
where:
Base-Base interactions energy: -1747.027
where: short stacking energy: -746.514
Base-Backbone interact. energy: -1.566
local terms energy: -764.682524
where:
bonds (distance) C4'-P energy: -139.832
bonds (distance) P-C4' energy: -129.044
flat angles C4'-P-C4' energy: -164.902
flat angles P-C4'-P energy: -114.258
tors. eta vs tors. theta energy: -216.645
Dist. restrs. and SS energy: 9.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -2425.426071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.426071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.276417 (E_RNA)
where:
Base-Base interactions energy: -1679.027
where: short stacking energy: -713.690
Base-Backbone interact. energy: -3.315
local terms energy: -754.933927
where:
bonds (distance) C4'-P energy: -131.764
bonds (distance) P-C4' energy: -138.336
flat angles C4'-P-C4' energy: -157.579
flat angles P-C4'-P energy: -109.282
tors. eta vs tors. theta energy: -217.972
Dist. restrs. and SS energy: 11.850 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -2373.045681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.045681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.127275 (E_RNA)
where:
Base-Base interactions energy: -1663.804
where: short stacking energy: -708.101
Base-Backbone interact. energy: -2.381
local terms energy: -714.941976
where:
bonds (distance) C4'-P energy: -133.314
bonds (distance) P-C4' energy: -134.861
flat angles C4'-P-C4' energy: -157.551
flat angles P-C4'-P energy: -88.449
tors. eta vs tors. theta energy: -200.767
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: 6, replica: 5
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -2310.791240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.791240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.948839 (E_RNA)
where:
Base-Base interactions energy: -1619.461
where: short stacking energy: -686.670
Base-Backbone interact. energy: -5.018
local terms energy: -700.470079
where:
bonds (distance) C4'-P energy: -122.366
bonds (distance) P-C4' energy: -130.087
flat angles C4'-P-C4' energy: -159.697
flat angles P-C4'-P energy: -87.007
tors. eta vs tors. theta energy: -201.312
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: 7, replica: 1
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -2257.521171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.521171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.857067 (E_RNA)
where:
Base-Base interactions energy: -1604.925
where: short stacking energy: -663.684
Base-Backbone interact. energy: -1.880
local terms energy: -664.052384
where:
bonds (distance) C4'-P energy: -130.515
bonds (distance) P-C4' energy: -112.644
flat angles C4'-P-C4' energy: -136.187
flat angles P-C4'-P energy: -92.018
tors. eta vs tors. theta energy: -192.689
Dist. restrs. and SS energy: 13.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -2119.177541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.177541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.445538 (E_RNA)
where:
Base-Base interactions energy: -1501.625
where: short stacking energy: -639.423
Base-Backbone interact. energy: -2.467
local terms energy: -633.353570
where:
bonds (distance) C4'-P energy: -131.736
bonds (distance) P-C4' energy: -103.269
flat angles C4'-P-C4' energy: -155.280
flat angles P-C4'-P energy: -79.145
tors. eta vs tors. theta energy: -163.925
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: 9, replica: 4
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -1986.401542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.401542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.991067 (E_RNA)
where:
Base-Base interactions energy: -1413.471
where: short stacking energy: -570.398
Base-Backbone interact. energy: -0.080
local terms energy: -587.440343
where:
bonds (distance) C4'-P energy: -115.703
bonds (distance) P-C4' energy: -116.151
flat angles C4'-P-C4' energy: -122.555
flat angles P-C4'-P energy: -78.962
tors. eta vs tors. theta energy: -154.070
Dist. restrs. and SS energy: 14.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -1859.912627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.912627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.450995 (E_RNA)
where:
Base-Base interactions energy: -1328.767
where: short stacking energy: -539.253
Base-Backbone interact. energy: 4.441
local terms energy: -562.125052
where:
bonds (distance) C4'-P energy: -105.666
bonds (distance) P-C4' energy: -121.651
flat angles C4'-P-C4' energy: -129.515
flat angles P-C4'-P energy: -55.437
tors. eta vs tors. theta energy: -149.855
Dist. restrs. and SS energy: 26.538 (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: 10
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -2681.313040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.313040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.162670 (E_RNA)
where:
Base-Base interactions energy: -1879.490
where: short stacking energy: -784.273
Base-Backbone interact. energy: -1.256
local terms energy: -806.416868
where:
bonds (distance) C4'-P energy: -150.341
bonds (distance) P-C4' energy: -151.135
flat angles C4'-P-C4' energy: -158.545
flat angles P-C4'-P energy: -115.148
tors. eta vs tors. theta energy: -231.248
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: 73
Temperature: 0.950000
Total energy: -2580.181603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.181603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.142239 (E_RNA)
where:
Base-Base interactions energy: -1803.386
where: short stacking energy: -773.514
Base-Backbone interact. energy: -1.726
local terms energy: -781.029705
where:
bonds (distance) C4'-P energy: -146.494
bonds (distance) P-C4' energy: -137.168
flat angles C4'-P-C4' energy: -164.526
flat angles P-C4'-P energy: -107.195
tors. eta vs tors. theta energy: -225.646
Dist. restrs. and SS energy: 5.961 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -2509.870641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.870641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.494115 (E_RNA)
where:
Base-Base interactions energy: -1773.342
where: short stacking energy: -749.316
Base-Backbone interact. energy: -1.385
local terms energy: -749.766914
where:
bonds (distance) C4'-P energy: -130.906
bonds (distance) P-C4' energy: -135.294
flat angles C4'-P-C4' energy: -165.921
flat angles P-C4'-P energy: -89.802
tors. eta vs tors. theta energy: -227.844
Dist. restrs. and SS energy: 14.623 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -2482.038643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.038643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.018647 (E_RNA)
where:
Base-Base interactions energy: -1710.678
where: short stacking energy: -722.000
Base-Backbone interact. energy: -3.924
local terms energy: -775.417389
where:
bonds (distance) C4'-P energy: -134.799
bonds (distance) P-C4' energy: -140.894
flat angles C4'-P-C4' energy: -165.463
flat angles P-C4'-P energy: -110.221
tors. eta vs tors. theta energy: -224.040
Dist. restrs. and SS energy: 7.980 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -2350.814300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.814300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.100851 (E_RNA)
where:
Base-Base interactions energy: -1652.441
where: short stacking energy: -703.132
Base-Backbone interact. energy: 1.663
local terms energy: -710.322410
where:
bonds (distance) C4'-P energy: -135.136
bonds (distance) P-C4' energy: -140.004
flat angles C4'-P-C4' energy: -151.078
flat angles P-C4'-P energy: -83.509
tors. eta vs tors. theta energy: -200.595
Dist. restrs. and SS energy: 10.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -2252.660966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.660966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.269645 (E_RNA)
where:
Base-Base interactions energy: -1608.233
where: short stacking energy: -640.769
Base-Backbone interact. energy: 2.185
local terms energy: -658.221071
where:
bonds (distance) C4'-P energy: -116.956
bonds (distance) P-C4' energy: -129.678
flat angles C4'-P-C4' energy: -149.210
flat angles P-C4'-P energy: -78.478
tors. eta vs tors. theta energy: -183.900
Dist. restrs. and SS energy: 11.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -2248.718456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.718456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.451038 (E_RNA)
where:
Base-Base interactions energy: -1583.343
where: short stacking energy: -665.661
Base-Backbone interact. energy: -1.873
local terms energy: -677.235012
where:
bonds (distance) C4'-P energy: -132.810
bonds (distance) P-C4' energy: -110.732
flat angles C4'-P-C4' energy: -144.775
flat angles P-C4'-P energy: -98.438
tors. eta vs tors. theta energy: -190.480
Dist. restrs. and SS energy: 13.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -2185.170357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.170357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.108473 (E_RNA)
where:
Base-Base interactions energy: -1545.279
where: short stacking energy: -653.061
Base-Backbone interact. energy: 1.045
local terms energy: -650.874735
where:
bonds (distance) C4'-P energy: -131.590
bonds (distance) P-C4' energy: -118.209
flat angles C4'-P-C4' energy: -135.958
flat angles P-C4'-P energy: -89.606
tors. eta vs tors. theta energy: -175.512
Dist. restrs. and SS energy: 9.938 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -1960.103524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.103524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.791166 (E_RNA)
where:
Base-Base interactions energy: -1422.492
where: short stacking energy: -617.113
Base-Backbone interact. energy: -0.276
local terms energy: -558.023325
where:
bonds (distance) C4'-P energy: -87.589
bonds (distance) P-C4' energy: -97.918
flat angles C4'-P-C4' energy: -120.734
flat angles P-C4'-P energy: -84.516
tors. eta vs tors. theta energy: -167.267
Dist. restrs. and SS energy: 20.688 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -1864.567515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.567515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.434318 (E_RNA)
where:
Base-Base interactions energy: -1349.010
where: short stacking energy: -550.513
Base-Backbone interact. energy: 0.756
local terms energy: -538.180677
where:
bonds (distance) C4'-P energy: -83.878
bonds (distance) P-C4' energy: -131.176
flat angles C4'-P-C4' energy: -96.652
flat angles P-C4'-P energy: -65.703
tors. eta vs tors. theta energy: -160.772
Dist. restrs. and SS energy: 21.867 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -2671.673258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.673258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.470970 (E_RNA)
where:
Base-Base interactions energy: -1850.789
where: short stacking energy: -791.515
Base-Backbone interact. energy: -2.296
local terms energy: -822.386876
where:
bonds (distance) C4'-P energy: -143.274
bonds (distance) P-C4' energy: -143.390
flat angles C4'-P-C4' energy: -177.891
flat angles P-C4'-P energy: -120.925
tors. eta vs tors. theta energy: -236.907
Dist. restrs. and SS energy: 3.798 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -2569.918289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.918289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.386492 (E_RNA)
where:
Base-Base interactions energy: -1787.278
where: short stacking energy: -745.646
Base-Backbone interact. energy: -3.604
local terms energy: -784.504456
where:
bonds (distance) C4'-P energy: -146.586
bonds (distance) P-C4' energy: -138.271
flat angles C4'-P-C4' energy: -163.963
flat angles P-C4'-P energy: -112.033
tors. eta vs tors. theta energy: -223.651
Dist. restrs. and SS energy: 5.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -2472.688006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.688006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.885213 (E_RNA)
where:
Base-Base interactions energy: -1737.505
where: short stacking energy: -755.428
Base-Backbone interact. energy: -2.565
local terms energy: -744.814853
where:
bonds (distance) C4'-P energy: -135.833
bonds (distance) P-C4' energy: -136.120
flat angles C4'-P-C4' energy: -155.437
flat angles P-C4'-P energy: -95.713
tors. eta vs tors. theta energy: -221.712
Dist. restrs. and SS energy: 12.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -2505.960517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.960517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.053757 (E_RNA)
where:
Base-Base interactions energy: -1775.048
where: short stacking energy: -745.152
Base-Backbone interact. energy: -1.840
local terms energy: -734.165758
where:
bonds (distance) C4'-P energy: -131.099
bonds (distance) P-C4' energy: -144.072
flat angles C4'-P-C4' energy: -147.650
flat angles P-C4'-P energy: -99.409
tors. eta vs tors. theta energy: -211.935
Dist. restrs. and SS energy: 5.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -2346.598953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.598953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.377966 (E_RNA)
where:
Base-Base interactions energy: -1643.235
where: short stacking energy: -683.879
Base-Backbone interact. energy: -1.409
local terms energy: -713.733805
where:
bonds (distance) C4'-P energy: -140.942
bonds (distance) P-C4' energy: -132.721
flat angles C4'-P-C4' energy: -157.167
flat angles P-C4'-P energy: -80.856
tors. eta vs tors. theta energy: -202.049
Dist. restrs. and SS energy: 11.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -2222.805763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.805763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.629505 (E_RNA)
where:
Base-Base interactions energy: -1538.943
where: short stacking energy: -631.206
Base-Backbone interact. energy: -0.835
local terms energy: -698.851095
where:
bonds (distance) C4'-P energy: -132.237
bonds (distance) P-C4' energy: -139.400
flat angles C4'-P-C4' energy: -158.880
flat angles P-C4'-P energy: -95.462
tors. eta vs tors. theta energy: -172.873
Dist. restrs. and SS energy: 15.824 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -2252.274165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.274165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.227610 (E_RNA)
where:
Base-Base interactions energy: -1622.225
where: short stacking energy: -659.861
Base-Backbone interact. energy: 1.088
local terms energy: -643.090646
where:
bonds (distance) C4'-P energy: -111.248
bonds (distance) P-C4' energy: -108.421
flat angles C4'-P-C4' energy: -135.515
flat angles P-C4'-P energy: -94.887
tors. eta vs tors. theta energy: -193.020
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: 8, replica: 3
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -2149.482108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.482108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.576056 (E_RNA)
where:
Base-Base interactions energy: -1521.460
where: short stacking energy: -642.905
Base-Backbone interact. energy: -0.349
local terms energy: -639.767422
where:
bonds (distance) C4'-P energy: -120.097
bonds (distance) P-C4' energy: -120.330
flat angles C4'-P-C4' energy: -126.183
flat angles P-C4'-P energy: -81.103
tors. eta vs tors. theta energy: -192.055
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: 4
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -2007.306394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.306394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.834925 (E_RNA)
where:
Base-Base interactions energy: -1441.279
where: short stacking energy: -587.608
Base-Backbone interact. energy: 5.199
local terms energy: -588.755676
where:
bonds (distance) C4'-P energy: -107.066
bonds (distance) P-C4' energy: -128.566
flat angles C4'-P-C4' energy: -118.626
flat angles P-C4'-P energy: -79.921
tors. eta vs tors. theta energy: -154.577
Dist. restrs. and SS energy: 17.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -1867.976147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.976147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.936193 (E_RNA)
where:
Base-Base interactions energy: -1307.923
where: short stacking energy: -527.730
Base-Backbone interact. energy: -1.747
local terms energy: -595.266265
where:
bonds (distance) C4'-P energy: -129.109
bonds (distance) P-C4' energy: -114.832
flat angles C4'-P-C4' energy: -127.331
flat angles P-C4'-P energy: -78.473
tors. eta vs tors. theta energy: -145.522
Dist. restrs. and SS energy: 36.960 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -2665.593429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.593429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.279558 (E_RNA)
where:
Base-Base interactions energy: -1871.646
where: short stacking energy: -779.720
Base-Backbone interact. energy: -4.924
local terms energy: -795.710131
where:
bonds (distance) C4'-P energy: -152.938
bonds (distance) P-C4' energy: -139.840
flat angles C4'-P-C4' energy: -163.693
flat angles P-C4'-P energy: -104.564
tors. eta vs tors. theta energy: -234.675
Dist. restrs. and SS energy: 6.686 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -2590.733732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.733732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.775182 (E_RNA)
where:
Base-Base interactions energy: -1815.593
where: short stacking energy: -753.025
Base-Backbone interact. energy: -1.519
local terms energy: -781.663173
where:
bonds (distance) C4'-P energy: -133.660
bonds (distance) P-C4' energy: -143.266
flat angles C4'-P-C4' energy: -163.719
flat angles P-C4'-P energy: -121.458
tors. eta vs tors. theta energy: -219.561
Dist. restrs. and SS energy: 8.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -2506.905832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.905832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.011453 (E_RNA)
where:
Base-Base interactions energy: -1759.220
where: short stacking energy: -748.026
Base-Backbone interact. energy: -0.859
local terms energy: -761.933025
where:
bonds (distance) C4'-P energy: -128.720
bonds (distance) P-C4' energy: -143.286
flat angles C4'-P-C4' energy: -156.194
flat angles P-C4'-P energy: -110.645
tors. eta vs tors. theta energy: -223.087
Dist. restrs. and SS energy: 15.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -2472.240367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.240367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.136319 (E_RNA)
where:
Base-Base interactions energy: -1721.711
where: short stacking energy: -714.139
Base-Backbone interact. energy: -3.118
local terms energy: -755.307414
where:
bonds (distance) C4'-P energy: -137.935
bonds (distance) P-C4' energy: -112.805
flat angles C4'-P-C4' energy: -158.045
flat angles P-C4'-P energy: -129.674
tors. eta vs tors. theta energy: -216.849
Dist. restrs. and SS energy: 7.896 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -2317.945887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.945887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.065061 (E_RNA)
where:
Base-Base interactions energy: -1641.279
where: short stacking energy: -688.750
Base-Backbone interact. energy: -3.097
local terms energy: -687.689478
where:
bonds (distance) C4'-P energy: -119.631
bonds (distance) P-C4' energy: -124.182
flat angles C4'-P-C4' energy: -152.009
flat angles P-C4'-P energy: -91.932
tors. eta vs tors. theta energy: -199.936
Dist. restrs. and SS energy: 14.119 (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: 1
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -2274.869522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.869522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.440629 (E_RNA)
where:
Base-Base interactions energy: -1593.550
where: short stacking energy: -657.649
Base-Backbone interact. energy: -3.372
local terms energy: -686.518872
where:
bonds (distance) C4'-P energy: -128.288
bonds (distance) P-C4' energy: -112.616
flat angles C4'-P-C4' energy: -144.520
flat angles P-C4'-P energy: -103.305
tors. eta vs tors. theta energy: -197.789
Dist. restrs. and SS energy: 8.571 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -2148.911101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.911101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.838965 (E_RNA)
where:
Base-Base interactions energy: -1534.544
where: short stacking energy: -626.217
Base-Backbone interact. energy: -0.189
local terms energy: -629.106196
where:
bonds (distance) C4'-P energy: -104.592
bonds (distance) P-C4' energy: -133.325
flat angles C4'-P-C4' energy: -138.661
flat angles P-C4'-P energy: -72.259
tors. eta vs tors. theta energy: -180.268
Dist. restrs. and SS energy: 14.928 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -2163.946068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.946068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.454495 (E_RNA)
where:
Base-Base interactions energy: -1513.113
where: short stacking energy: -654.649
Base-Backbone interact. energy: -1.006
local terms energy: -661.335351
where:
bonds (distance) C4'-P energy: -104.735
bonds (distance) P-C4' energy: -124.500
flat angles C4'-P-C4' energy: -148.323
flat angles P-C4'-P energy: -96.881
tors. eta vs tors. theta energy: -186.897
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: 9, replica: 4
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -2019.154897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.154897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.674082 (E_RNA)
where:
Base-Base interactions energy: -1426.202
where: short stacking energy: -568.313
Base-Backbone interact. energy: 0.880
local terms energy: -607.351470
where:
bonds (distance) C4'-P energy: -101.033
bonds (distance) P-C4' energy: -122.087
flat angles C4'-P-C4' energy: -129.131
flat angles P-C4'-P energy: -84.233
tors. eta vs tors. theta energy: -170.868
Dist. restrs. and SS energy: 13.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -1862.812842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.812842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.624465 (E_RNA)
where:
Base-Base interactions energy: -1304.192
where: short stacking energy: -524.711
Base-Backbone interact. energy: 1.807
local terms energy: -584.239163
where:
bonds (distance) C4'-P energy: -105.211
bonds (distance) P-C4' energy: -127.732
flat angles C4'-P-C4' energy: -127.928
flat angles P-C4'-P energy: -85.704
tors. eta vs tors. theta energy: -137.664
Dist. restrs. and SS energy: 23.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -2666.864747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.864747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.134845 (E_RNA)
where:
Base-Base interactions energy: -1877.194
where: short stacking energy: -772.050
Base-Backbone interact. energy: 0.060
local terms energy: -793.000890
where:
bonds (distance) C4'-P energy: -153.186
bonds (distance) P-C4' energy: -149.335
flat angles C4'-P-C4' energy: -164.557
flat angles P-C4'-P energy: -103.326
tors. eta vs tors. theta energy: -222.597
Dist. restrs. and SS energy: 3.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -2589.794283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.794283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.823882 (E_RNA)
where:
Base-Base interactions energy: -1798.375
where: short stacking energy: -744.846
Base-Backbone interact. energy: -1.793
local terms energy: -796.655892
where:
bonds (distance) C4'-P energy: -155.082
bonds (distance) P-C4' energy: -141.738
flat angles C4'-P-C4' energy: -158.227
flat angles P-C4'-P energy: -116.810
tors. eta vs tors. theta energy: -224.800
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: 3, replica: 7
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -2539.135342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.135342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.820841 (E_RNA)
where:
Base-Base interactions energy: -1765.677
where: short stacking energy: -744.694
Base-Backbone interact. energy: -3.097
local terms energy: -782.047256
where:
bonds (distance) C4'-P energy: -136.605
bonds (distance) P-C4' energy: -156.829
flat angles C4'-P-C4' energy: -154.525
flat angles P-C4'-P energy: -110.065
tors. eta vs tors. theta energy: -224.023
Dist. restrs. and SS energy: 11.685 (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: 8
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -2490.423708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.423708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.907819 (E_RNA)
where:
Base-Base interactions energy: -1751.149
where: short stacking energy: -745.402
Base-Backbone interact. energy: -5.447
local terms energy: -742.312094
where:
bonds (distance) C4'-P energy: -135.381
bonds (distance) P-C4' energy: -133.233
flat angles C4'-P-C4' energy: -150.189
flat angles P-C4'-P energy: -99.452
tors. eta vs tors. theta energy: -224.058
Dist. restrs. and SS energy: 8.484 (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: 9
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -2361.550824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.550824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.345890 (E_RNA)
where:
Base-Base interactions energy: -1662.966
where: short stacking energy: -724.953
Base-Backbone interact. energy: -4.250
local terms energy: -706.129845
where:
bonds (distance) C4'-P energy: -133.489
bonds (distance) P-C4' energy: -126.291
flat angles C4'-P-C4' energy: -138.342
flat angles P-C4'-P energy: -87.143
tors. eta vs tors. theta energy: -220.864
Dist. restrs. and SS energy: 11.795 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -2309.554568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.554568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.179245 (E_RNA)
where:
Base-Base interactions energy: -1637.844
where: short stacking energy: -699.822
Base-Backbone interact. energy: 1.548
local terms energy: -680.883468
where:
bonds (distance) C4'-P energy: -129.230
bonds (distance) P-C4' energy: -130.238
flat angles C4'-P-C4' energy: -144.914
flat angles P-C4'-P energy: -80.139
tors. eta vs tors. theta energy: -196.363
Dist. restrs. and SS energy: 7.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -2190.209758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.209758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.047232 (E_RNA)
where:
Base-Base interactions energy: -1519.769
where: short stacking energy: -613.966
Base-Backbone interact. energy: -2.821
local terms energy: -679.456642
where:
bonds (distance) C4'-P energy: -124.470
bonds (distance) P-C4' energy: -122.420
flat angles C4'-P-C4' energy: -144.856
flat angles P-C4'-P energy: -103.234
tors. eta vs tors. theta energy: -184.477
Dist. restrs. and SS energy: 11.837 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -2112.486187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.486187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.361846 (E_RNA)
where:
Base-Base interactions energy: -1496.473
where: short stacking energy: -612.784
Base-Backbone interact. energy: 2.035
local terms energy: -627.924064
where:
bonds (distance) C4'-P energy: -104.072
bonds (distance) P-C4' energy: -110.320
flat angles C4'-P-C4' energy: -132.771
flat angles P-C4'-P energy: -95.672
tors. eta vs tors. theta energy: -185.089
Dist. restrs. and SS energy: 9.876 (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: 4
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -2002.368999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.368999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.541881 (E_RNA)
where:
Base-Base interactions energy: -1406.221
where: short stacking energy: -572.578
Base-Backbone interact. energy: 0.135
local terms energy: -618.455872
where:
bonds (distance) C4'-P energy: -93.091
bonds (distance) P-C4' energy: -127.980
flat angles C4'-P-C4' energy: -141.613
flat angles P-C4'-P energy: -86.570
tors. eta vs tors. theta energy: -169.203
Dist. restrs. and SS energy: 22.173 (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: 76
Temperature: 1.350000
Total energy: -1893.499707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.499707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.552490 (E_RNA)
where:
Base-Base interactions energy: -1307.290
where: short stacking energy: -542.609
Base-Backbone interact. energy: -1.699
local terms energy: -612.563762
where:
bonds (distance) C4'-P energy: -120.111
bonds (distance) P-C4' energy: -127.036
flat angles C4'-P-C4' energy: -124.805
flat angles P-C4'-P energy: -82.366
tors. eta vs tors. theta energy: -158.245
Dist. restrs. and SS energy: 28.053 (S_DIST_RNA)
chem. 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: -2669.113939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.113939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.155569 (E_RNA)
where:
Base-Base interactions energy: -1855.883
where: short stacking energy: -793.036
Base-Backbone interact. energy: -4.637
local terms energy: -815.635249
where:
bonds (distance) C4'-P energy: -146.730
bonds (distance) P-C4' energy: -150.904
flat angles C4'-P-C4' energy: -171.491
flat angles P-C4'-P energy: -111.790
tors. eta vs tors. theta energy: -234.721
Dist. restrs. and SS energy: 7.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -2598.449249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.449249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.371837 (E_RNA)
where:
Base-Base interactions energy: -1795.993
where: short stacking energy: -744.828
Base-Backbone interact. energy: -3.856
local terms energy: -803.522975
where:
bonds (distance) C4'-P energy: -131.104
bonds (distance) P-C4' energy: -151.375
flat angles C4'-P-C4' energy: -173.822
flat angles P-C4'-P energy: -117.024
tors. eta vs tors. theta energy: -230.198
Dist. restrs. and SS energy: 4.923 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -2515.485086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.485086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.284483 (E_RNA)
where:
Base-Base interactions energy: -1741.184
where: short stacking energy: -737.792
Base-Backbone interact. energy: -3.487
local terms energy: -781.613717
where:
bonds (distance) C4'-P energy: -126.450
bonds (distance) P-C4' energy: -151.649
flat angles C4'-P-C4' energy: -164.222
flat angles P-C4'-P energy: -109.066
tors. eta vs tors. theta energy: -230.227
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: 8
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -2467.347545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.347545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.931470 (E_RNA)
where:
Base-Base interactions energy: -1733.495
where: short stacking energy: -718.901
Base-Backbone interact. energy: -3.945
local terms energy: -740.491694
where:
bonds (distance) C4'-P energy: -140.649
bonds (distance) P-C4' energy: -133.327
flat angles C4'-P-C4' energy: -155.752
flat angles P-C4'-P energy: -103.366
tors. eta vs tors. theta energy: -207.397
Dist. restrs. and SS energy: 10.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -2311.451938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.451938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.043597 (E_RNA)
where:
Base-Base interactions energy: -1626.480
where: short stacking energy: -679.607
Base-Backbone interact. energy: -3.008
local terms energy: -694.555109
where:
bonds (distance) C4'-P energy: -129.821
bonds (distance) P-C4' energy: -119.520
flat angles C4'-P-C4' energy: -157.139
flat angles P-C4'-P energy: -94.021
tors. eta vs tors. theta energy: -194.053
Dist. restrs. and SS energy: 12.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -2338.517318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.517318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.657513 (E_RNA)
where:
Base-Base interactions energy: -1650.701
where: short stacking energy: -693.361
Base-Backbone interact. energy: -3.220
local terms energy: -692.737466
where:
bonds (distance) C4'-P energy: -113.420
bonds (distance) P-C4' energy: -119.372
flat angles C4'-P-C4' energy: -154.524
flat angles P-C4'-P energy: -96.326
tors. eta vs tors. theta energy: -209.095
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: 7, replica: 3
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -2241.361041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.361041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.472530 (E_RNA)
where:
Base-Base interactions energy: -1602.908
where: short stacking energy: -655.461
Base-Backbone interact. energy: -2.800
local terms energy: -646.764622
where:
bonds (distance) C4'-P energy: -121.004
bonds (distance) P-C4' energy: -124.327
flat angles C4'-P-C4' energy: -135.054
flat angles P-C4'-P energy: -82.112
tors. eta vs tors. theta energy: -184.268
Dist. restrs. and SS energy: 11.111 (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: 4
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -2080.132903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.132903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.563384 (E_RNA)
where:
Base-Base interactions energy: -1482.577
where: short stacking energy: -591.878
Base-Backbone interact. energy: -2.107
local terms energy: -610.879302
where:
bonds (distance) C4'-P energy: -109.991
bonds (distance) P-C4' energy: -104.585
flat angles C4'-P-C4' energy: -130.471
flat angles P-C4'-P energy: -96.803
tors. eta vs tors. theta energy: -169.029
Dist. restrs. and SS energy: 15.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -2040.304752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.304752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.078542 (E_RNA)
where:
Base-Base interactions energy: -1454.322
where: short stacking energy: -594.607
Base-Backbone interact. energy: 3.356
local terms energy: -602.112614
where:
bonds (distance) C4'-P energy: -107.399
bonds (distance) P-C4' energy: -101.118
flat angles C4'-P-C4' energy: -125.147
flat angles P-C4'-P energy: -95.218
tors. eta vs tors. theta energy: -173.230
Dist. restrs. and SS energy: 12.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -1917.244716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.244716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.023705 (E_RNA)
where:
Base-Base interactions energy: -1358.524
where: short stacking energy: -570.357
Base-Backbone interact. energy: -3.685
local terms energy: -582.814901
where:
bonds (distance) C4'-P energy: -120.269
bonds (distance) P-C4' energy: -102.771
flat angles C4'-P-C4' energy: -126.213
flat angles P-C4'-P energy: -72.851
tors. eta vs tors. theta energy: -160.711
Dist. restrs. and SS energy: 27.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -2675.853598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.853598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.553666 (E_RNA)
where:
Base-Base interactions energy: -1859.624
where: short stacking energy: -802.875
Base-Backbone interact. energy: -4.036
local terms energy: -817.893851
where:
bonds (distance) C4'-P energy: -147.770
bonds (distance) P-C4' energy: -152.568
flat angles C4'-P-C4' energy: -171.022
flat angles P-C4'-P energy: -102.344
tors. eta vs tors. theta energy: -244.189
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: 2, replica: 2
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -2569.695860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.695860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.413531 (E_RNA)
where:
Base-Base interactions energy: -1786.576
where: short stacking energy: -753.700
Base-Backbone interact. energy: -1.522
local terms energy: -786.314791
where:
bonds (distance) C4'-P energy: -149.321
bonds (distance) P-C4' energy: -128.891
flat angles C4'-P-C4' energy: -174.402
flat angles P-C4'-P energy: -111.384
tors. eta vs tors. theta energy: -222.317
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: 3, replica: 8
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -2510.872957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.872957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.019429 (E_RNA)
where:
Base-Base interactions energy: -1754.864
where: short stacking energy: -741.080
Base-Backbone interact. energy: -4.493
local terms energy: -755.663147
where:
bonds (distance) C4'-P energy: -135.319
bonds (distance) P-C4' energy: -125.460
flat angles C4'-P-C4' energy: -159.551
flat angles P-C4'-P energy: -107.951
tors. eta vs tors. theta energy: -227.382
Dist. restrs. and SS energy: 4.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -2470.439451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.439451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.804678 (E_RNA)
where:
Base-Base interactions energy: -1730.121
where: short stacking energy: -703.224
Base-Backbone interact. energy: 0.277
local terms energy: -746.960501
where:
bonds (distance) C4'-P energy: -130.485
bonds (distance) P-C4' energy: -130.838
flat angles C4'-P-C4' energy: -163.369
flat angles P-C4'-P energy: -99.888
tors. eta vs tors. theta energy: -222.381
Dist. restrs. and SS energy: 6.365 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -2376.682187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.682187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.688340 (E_RNA)
where:
Base-Base interactions energy: -1651.677
where: short stacking energy: -697.598
Base-Backbone interact. energy: -0.909
local terms energy: -733.102819
where:
bonds (distance) C4'-P energy: -141.801
bonds (distance) P-C4' energy: -126.222
flat angles C4'-P-C4' energy: -141.297
flat angles P-C4'-P energy: -109.713
tors. eta vs tors. theta energy: -214.070
Dist. restrs. and SS energy: 9.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -2262.653646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.653646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.820959 (E_RNA)
where:
Base-Base interactions energy: -1555.713
where: short stacking energy: -690.364
Base-Backbone interact. energy: -0.762
local terms energy: -719.345833
where:
bonds (distance) C4'-P energy: -136.173
bonds (distance) P-C4' energy: -122.971
flat angles C4'-P-C4' energy: -155.943
flat angles P-C4'-P energy: -98.964
tors. eta vs tors. theta energy: -205.295
Dist. restrs. and SS energy: 13.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -2230.721041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.721041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.921840 (E_RNA)
where:
Base-Base interactions energy: -1602.280
where: short stacking energy: -661.281
Base-Backbone interact. energy: -2.374
local terms energy: -633.267795
where:
bonds (distance) C4'-P energy: -91.528
bonds (distance) P-C4' energy: -126.256
flat angles C4'-P-C4' energy: -137.887
flat angles P-C4'-P energy: -101.157
tors. eta vs tors. theta energy: -176.440
Dist. restrs. and SS energy: 7.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -2039.743403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.743403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.888005 (E_RNA)
where:
Base-Base interactions energy: -1435.086
where: short stacking energy: -606.220
Base-Backbone interact. energy: 0.650
local terms energy: -627.451682
where:
bonds (distance) C4'-P energy: -122.655
bonds (distance) P-C4' energy: -132.867
flat angles C4'-P-C4' energy: -129.879
flat angles P-C4'-P energy: -83.779
tors. eta vs tors. theta energy: -158.271
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: 9, replica: 5
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -1976.061923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.061923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.097839 (E_RNA)
where:
Base-Base interactions energy: -1400.117
where: short stacking energy: -558.586
Base-Backbone interact. energy: -1.837
local terms energy: -588.144293
where:
bonds (distance) C4'-P energy: -107.205
bonds (distance) P-C4' energy: -122.609
flat angles C4'-P-C4' energy: -126.486
flat angles P-C4'-P energy: -76.820
tors. eta vs tors. theta energy: -155.024
Dist. restrs. and SS energy: 14.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -1937.851416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.851416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.411809 (E_RNA)
where:
Base-Base interactions energy: -1361.097
where: short stacking energy: -564.183
Base-Backbone interact. energy: -1.523
local terms energy: -598.791762
where:
bonds (distance) C4'-P energy: -118.021
bonds (distance) P-C4' energy: -108.983
flat angles C4'-P-C4' energy: -124.790
flat angles P-C4'-P energy: -89.070
tors. eta vs tors. theta energy: -157.927
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: 1, replica: 10
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -2675.364410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.364410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.112391 (E_RNA)
where:
Base-Base interactions energy: -1884.801
where: short stacking energy: -814.766
Base-Backbone interact. energy: -0.306
local terms energy: -795.005034
where:
bonds (distance) C4'-P energy: -134.755
bonds (distance) P-C4' energy: -135.205
flat angles C4'-P-C4' energy: -163.263
flat angles P-C4'-P energy: -129.998
tors. eta vs tors. theta energy: -231.783
Dist. restrs. and SS energy: 4.748 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -2597.759464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.759464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.803457 (E_RNA)
where:
Base-Base interactions energy: -1817.535
where: short stacking energy: -772.007
Base-Backbone interact. energy: -1.017
local terms energy: -785.251974
where:
bonds (distance) C4'-P energy: -150.336
bonds (distance) P-C4' energy: -139.852
flat angles C4'-P-C4' energy: -160.939
flat angles P-C4'-P energy: -111.603
tors. eta vs tors. theta energy: -222.523
Dist. restrs. and SS energy: 6.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -2531.824145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.824145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.511915 (E_RNA)
where:
Base-Base interactions energy: -1774.507
where: short stacking energy: -717.020
Base-Backbone interact. energy: -1.783
local terms energy: -762.221933
where:
bonds (distance) C4'-P energy: -143.158
bonds (distance) P-C4' energy: -134.904
flat angles C4'-P-C4' energy: -156.018
flat angles P-C4'-P energy: -115.911
tors. eta vs tors. theta energy: -212.231
Dist. restrs. and SS energy: 6.688 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -2404.738841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.738841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.632228 (E_RNA)
where:
Base-Base interactions energy: -1698.033
where: short stacking energy: -719.130
Base-Backbone interact. energy: -0.837
local terms energy: -712.762025
where:
bonds (distance) C4'-P energy: -122.517
bonds (distance) P-C4' energy: -127.170
flat angles C4'-P-C4' energy: -146.943
flat angles P-C4'-P energy: -103.480
tors. eta vs tors. theta energy: -212.651
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: 7
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -2415.290182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.290182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.050854 (E_RNA)
where:
Base-Base interactions energy: -1710.743
where: short stacking energy: -704.843
Base-Backbone interact. energy: -3.381
local terms energy: -708.926737
where:
bonds (distance) C4'-P energy: -126.751
bonds (distance) P-C4' energy: -120.687
flat angles C4'-P-C4' energy: -144.136
flat angles P-C4'-P energy: -100.718
tors. eta vs tors. theta energy: -216.633
Dist. restrs. and SS energy: 7.761 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -2324.592430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.592430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.900583 (E_RNA)
where:
Base-Base interactions energy: -1654.115
where: short stacking energy: -690.298
Base-Backbone interact. energy: 0.741
local terms energy: -680.526792
where:
bonds (distance) C4'-P energy: -111.756
bonds (distance) P-C4' energy: -133.654
flat angles C4'-P-C4' energy: -147.015
flat angles P-C4'-P energy: -89.835
tors. eta vs tors. theta energy: -198.266
Dist. restrs. and SS energy: 9.308 (S_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: 79
Temperature: 1.200000
Total energy: -2211.313689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.313689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.890243 (E_RNA)
where:
Base-Base interactions energy: -1520.858
where: short stacking energy: -636.383
Base-Backbone interact. energy: -2.542
local terms energy: -701.490044
where:
bonds (distance) C4'-P energy: -133.809
bonds (distance) P-C4' energy: -117.173
flat angles C4'-P-C4' energy: -139.417
flat angles P-C4'-P energy: -106.323
tors. eta vs tors. theta energy: -204.768
Dist. restrs. and SS energy: 13.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -1977.372000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.372000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.367865 (E_RNA)
where:
Base-Base interactions energy: -1445.268
where: short stacking energy: -588.053
Base-Backbone interact. energy: 3.948
local terms energy: -554.047030
where:
bonds (distance) C4'-P energy: -113.622
bonds (distance) P-C4' energy: -93.100
flat angles C4'-P-C4' energy: -119.350
flat angles P-C4'-P energy: -76.337
tors. eta vs tors. theta energy: -151.638
Dist. restrs. and SS energy: 17.996 (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: 5
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -2063.869377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.869377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.319351 (E_RNA)
where:
Base-Base interactions energy: -1422.967
where: short stacking energy: -597.191
Base-Backbone interact. energy: -2.949
local terms energy: -653.403992
where:
bonds (distance) C4'-P energy: -114.315
bonds (distance) P-C4' energy: -140.580
flat angles C4'-P-C4' energy: -131.384
flat angles P-C4'-P energy: -84.469
tors. eta vs tors. theta energy: -182.656
Dist. restrs. and SS energy: 15.450 (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: 79
Temperature: 1.350000
Total energy: -1845.201504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.201504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.712344 (E_RNA)
where:
Base-Base interactions energy: -1332.449
where: short stacking energy: -547.497
Base-Backbone interact. energy: 2.866
local terms energy: -533.128763
where:
bonds (distance) C4'-P energy: -90.602
bonds (distance) P-C4' energy: -105.686
flat angles C4'-P-C4' energy: -110.359
flat angles P-C4'-P energy: -83.820
tors. eta vs tors. theta energy: -142.662
Dist. restrs. and SS energy: 17.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -2641.930394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.930394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.004968 (E_RNA)
where:
Base-Base interactions energy: -1833.852
where: short stacking energy: -758.590
Base-Backbone interact. energy: -2.716
local terms energy: -811.436274
where:
bonds (distance) C4'-P energy: -148.168
bonds (distance) P-C4' energy: -137.609
flat angles C4'-P-C4' energy: -178.405
flat angles P-C4'-P energy: -121.544
tors. eta vs tors. theta energy: -225.711
Dist. restrs. and SS energy: 6.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -2591.620727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.620727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.640876 (E_RNA)
where:
Base-Base interactions energy: -1839.119
where: short stacking energy: -774.498
Base-Backbone interact. energy: -3.588
local terms energy: -754.934069
where:
bonds (distance) C4'-P energy: -121.161
bonds (distance) P-C4' energy: -130.536
flat angles C4'-P-C4' energy: -156.872
flat angles P-C4'-P energy: -116.116
tors. eta vs tors. theta energy: -230.250
Dist. restrs. and SS energy: 6.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -2515.705207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.705207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.026269 (E_RNA)
where:
Base-Base interactions energy: -1786.541
where: short stacking energy: -749.189
Base-Backbone interact. energy: -4.209
local terms energy: -735.275789
where:
bonds (distance) C4'-P energy: -132.954
bonds (distance) P-C4' energy: -122.451
flat angles C4'-P-C4' energy: -151.910
flat angles P-C4'-P energy: -113.561
tors. eta vs tors. theta energy: -214.398
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: 4, replica: 1
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -2435.274705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.274705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.431664 (E_RNA)
where:
Base-Base interactions energy: -1692.663
where: short stacking energy: -710.327
Base-Backbone interact. energy: 1.058
local terms energy: -751.826527
where:
bonds (distance) C4'-P energy: -133.306
bonds (distance) P-C4' energy: -136.661
flat angles C4'-P-C4' energy: -157.262
flat angles P-C4'-P energy: -113.850
tors. eta vs tors. theta energy: -210.748
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: 5, replica: 7
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -2395.172650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.172650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.460379 (E_RNA)
where:
Base-Base interactions energy: -1689.150
where: short stacking energy: -712.379
Base-Backbone interact. energy: 0.069
local terms energy: -718.379417
where:
bonds (distance) C4'-P energy: -121.755
bonds (distance) P-C4' energy: -120.776
flat angles C4'-P-C4' energy: -165.473
flat angles P-C4'-P energy: -95.292
tors. eta vs tors. theta energy: -215.083
Dist. restrs. and SS energy: 12.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -2279.873899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.873899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.910152 (E_RNA)
where:
Base-Base interactions energy: -1619.855
where: short stacking energy: -658.984
Base-Backbone interact. energy: 1.141
local terms energy: -671.196363
where:
bonds (distance) C4'-P energy: -116.633
bonds (distance) P-C4' energy: -129.958
flat angles C4'-P-C4' energy: -143.534
flat angles P-C4'-P energy: -82.531
tors. eta vs tors. theta energy: -198.541
Dist. restrs. and SS energy: 10.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -2226.336822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.336822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.911787 (E_RNA)
where:
Base-Base interactions energy: -1554.191
where: short stacking energy: -662.522
Base-Backbone interact. energy: -3.676
local terms energy: -679.044867
where:
bonds (distance) C4'-P energy: -122.194
bonds (distance) P-C4' energy: -134.174
flat angles C4'-P-C4' energy: -144.969
flat angles P-C4'-P energy: -80.580
tors. eta vs tors. theta energy: -197.128
Dist. restrs. and SS energy: 10.575 (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: 4
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -2022.047408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.047408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.768294 (E_RNA)
where:
Base-Base interactions energy: -1405.692
where: short stacking energy: -578.617
Base-Backbone interact. energy: -2.365
local terms energy: -630.711965
where:
bonds (distance) C4'-P energy: -110.456
bonds (distance) P-C4' energy: -119.246
flat angles C4'-P-C4' energy: -145.480
flat angles P-C4'-P energy: -94.116
tors. eta vs tors. theta energy: -161.414
Dist. restrs. and SS energy: 16.721 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -2064.930241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.930241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.035028 (E_RNA)
where:
Base-Base interactions energy: -1448.445
where: short stacking energy: -605.038
Base-Backbone interact. energy: -3.503
local terms energy: -628.087545
where:
bonds (distance) C4'-P energy: -121.208
bonds (distance) P-C4' energy: -119.638
flat angles C4'-P-C4' energy: -123.192
flat angles P-C4'-P energy: -87.513
tors. eta vs tors. theta energy: -176.536
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: 80
Temperature: 1.350000
Total energy: -1849.928211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.928211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.426686 (E_RNA)
where:
Base-Base interactions energy: -1324.685
where: short stacking energy: -584.646
Base-Backbone interact. energy: -2.470
local terms energy: -556.272319
where:
bonds (distance) C4'-P energy: -102.133
bonds (distance) P-C4' energy: -108.078
flat angles C4'-P-C4' energy: -133.428
flat angles P-C4'-P energy: -68.560
tors. eta vs tors. theta energy: -144.073
Dist. restrs. and SS energy: 33.498 (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: 10
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -2698.410279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.410279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.964774 (E_RNA)
where:
Base-Base interactions energy: -1878.245
where: short stacking energy: -799.745
Base-Backbone interact. energy: -4.287
local terms energy: -820.432423
where:
bonds (distance) C4'-P energy: -147.289
bonds (distance) P-C4' energy: -146.691
flat angles C4'-P-C4' energy: -167.887
flat angles P-C4'-P energy: -121.878
tors. eta vs tors. theta energy: -236.688
Dist. restrs. and SS energy: 4.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -2620.233066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.233066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.730736 (E_RNA)
where:
Base-Base interactions energy: -1829.502
where: short stacking energy: -764.674
Base-Backbone interact. energy: -4.457
local terms energy: -790.771753
where:
bonds (distance) C4'-P energy: -141.983
bonds (distance) P-C4' energy: -149.291
flat angles C4'-P-C4' energy: -154.126
flat angles P-C4'-P energy: -117.177
tors. eta vs tors. theta energy: -228.195
Dist. restrs. and SS energy: 4.498 (S_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: -2539.045629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.045629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.627878 (E_RNA)
where:
Base-Base interactions energy: -1778.857
where: short stacking energy: -723.505
Base-Backbone interact. energy: -3.683
local terms energy: -763.088176
where:
bonds (distance) C4'-P energy: -133.246
bonds (distance) P-C4' energy: -144.909
flat angles C4'-P-C4' energy: -158.982
flat angles P-C4'-P energy: -111.856
tors. eta vs tors. theta energy: -214.095
Dist. restrs. and SS energy: 6.582 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -2446.052011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.052011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.661578 (E_RNA)
where:
Base-Base interactions energy: -1701.127
where: short stacking energy: -714.715
Base-Backbone interact. energy: -2.332
local terms energy: -748.202881
where:
bonds (distance) C4'-P energy: -137.954
bonds (distance) P-C4' energy: -135.472
flat angles C4'-P-C4' energy: -169.397
flat angles P-C4'-P energy: -93.738
tors. eta vs tors. theta energy: -211.641
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: 5, replica: 7
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -2447.097641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.097641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.887636 (E_RNA)
where:
Base-Base interactions energy: -1739.627
where: short stacking energy: -730.310
Base-Backbone interact. energy: -3.045
local terms energy: -715.215803
where:
bonds (distance) C4'-P energy: -135.555
bonds (distance) P-C4' energy: -120.229
flat angles C4'-P-C4' energy: -143.376
flat angles P-C4'-P energy: -108.055
tors. eta vs tors. theta energy: -208.001
Dist. restrs. and SS energy: 10.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -2299.988411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.988411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.631995 (E_RNA)
where:
Base-Base interactions energy: -1624.276
where: short stacking energy: -680.217
Base-Backbone interact. energy: -1.014
local terms energy: -686.341742
where:
bonds (distance) C4'-P energy: -115.762
bonds (distance) P-C4' energy: -136.779
flat angles C4'-P-C4' energy: -136.544
flat angles P-C4'-P energy: -98.016
tors. eta vs tors. theta energy: -199.241
Dist. restrs. and SS energy: 11.644 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -2196.335180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.335180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.845299 (E_RNA)
where:
Base-Base interactions energy: -1530.015
where: short stacking energy: -640.834
Base-Backbone interact. energy: -2.507
local terms energy: -679.322882
where:
bonds (distance) C4'-P energy: -122.798
bonds (distance) P-C4' energy: -124.673
flat angles C4'-P-C4' energy: -144.025
flat angles P-C4'-P energy: -80.849
tors. eta vs tors. theta energy: -206.978
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: 8, replica: 5
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -2135.594168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.594168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.631227 (E_RNA)
where:
Base-Base interactions energy: -1495.968
where: short stacking energy: -612.893
Base-Backbone interact. energy: -0.503
local terms energy: -653.160909
where:
bonds (distance) C4'-P energy: -109.090
bonds (distance) P-C4' energy: -127.453
flat angles C4'-P-C4' energy: -146.458
flat angles P-C4'-P energy: -93.251
tors. eta vs tors. theta energy: -176.909
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: 9, replica: 4
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -1956.039434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.039434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.058057 (E_RNA)
where:
Base-Base interactions energy: -1414.956
where: short stacking energy: -575.518
Base-Backbone interact. energy: -1.772
local terms energy: -549.329447
where:
bonds (distance) C4'-P energy: -92.534
bonds (distance) P-C4' energy: -112.733
flat angles C4'-P-C4' energy: -139.240
flat angles P-C4'-P energy: -71.943
tors. eta vs tors. theta energy: -132.879
Dist. restrs. and SS energy: 10.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -1827.187103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.187103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.968335 (E_RNA)
where:
Base-Base interactions energy: -1274.225
where: short stacking energy: -541.943
Base-Backbone interact. energy: -1.097
local terms energy: -581.646419
where:
bonds (distance) C4'-P energy: -109.483
bonds (distance) P-C4' energy: -131.805
flat angles C4'-P-C4' energy: -123.175
flat angles P-C4'-P energy: -70.500
tors. eta vs tors. theta energy: -146.683
Dist. restrs. and SS energy: 29.781 (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: 82
Temperature: 0.900000
Total energy: -2699.682946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.682946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.976064 (E_RNA)
where:
Base-Base interactions energy: -1877.188
where: short stacking energy: -791.824
Base-Backbone interact. energy: -2.514
local terms energy: -825.273773
where:
bonds (distance) C4'-P energy: -159.130
bonds (distance) P-C4' energy: -158.882
flat angles C4'-P-C4' energy: -168.045
flat angles P-C4'-P energy: -107.779
tors. eta vs tors. theta energy: -231.437
Dist. restrs. and SS energy: 5.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -2601.005803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.005803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.030909 (E_RNA)
where:
Base-Base interactions energy: -1815.408
where: short stacking energy: -795.540
Base-Backbone interact. energy: -0.924
local terms energy: -793.699265
where:
bonds (distance) C4'-P energy: -139.646
bonds (distance) P-C4' energy: -156.269
flat angles C4'-P-C4' energy: -167.235
flat angles P-C4'-P energy: -105.965
tors. eta vs tors. theta energy: -224.584
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: 3, replica: 1
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -2501.434459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.434459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.123007 (E_RNA)
where:
Base-Base interactions energy: -1780.060
where: short stacking energy: -748.610
Base-Backbone interact. energy: -4.017
local terms energy: -725.046330
where:
bonds (distance) C4'-P energy: -131.695
bonds (distance) P-C4' energy: -136.761
flat angles C4'-P-C4' energy: -156.564
flat angles P-C4'-P energy: -96.890
tors. eta vs tors. theta energy: -203.136
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: 4, replica: 2
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -2477.464976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.464976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.134505 (E_RNA)
where:
Base-Base interactions energy: -1763.656
where: short stacking energy: -704.791
Base-Backbone interact. energy: -2.780
local terms energy: -715.699237
where:
bonds (distance) C4'-P energy: -115.841
bonds (distance) P-C4' energy: -132.542
flat angles C4'-P-C4' energy: -157.327
flat angles P-C4'-P energy: -97.777
tors. eta vs tors. theta energy: -212.213
Dist. restrs. and SS energy: 4.670 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -2408.116161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.116161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.288130 (E_RNA)
where:
Base-Base interactions energy: -1694.046
where: short stacking energy: -710.767
Base-Backbone interact. energy: -0.359
local terms energy: -726.882218
where:
bonds (distance) C4'-P energy: -122.322
bonds (distance) P-C4' energy: -138.132
flat angles C4'-P-C4' energy: -153.824
flat angles P-C4'-P energy: -98.571
tors. eta vs tors. theta energy: -214.033
Dist. restrs. and SS energy: 13.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -2304.787922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.787922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.135440 (E_RNA)
where:
Base-Base interactions energy: -1630.253
where: short stacking energy: -674.379
Base-Backbone interact. energy: -2.901
local terms energy: -678.981123
where:
bonds (distance) C4'-P energy: -115.748
bonds (distance) P-C4' energy: -128.287
flat angles C4'-P-C4' energy: -135.688
flat angles P-C4'-P energy: -95.752
tors. eta vs tors. theta energy: -203.506
Dist. restrs. and SS energy: 7.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -2248.944878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.944878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.176860 (E_RNA)
where:
Base-Base interactions energy: -1604.166
where: short stacking energy: -669.685
Base-Backbone interact. energy: -2.266
local terms energy: -652.744317
where:
bonds (distance) C4'-P energy: -105.611
bonds (distance) P-C4' energy: -133.767
flat angles C4'-P-C4' energy: -141.548
flat angles P-C4'-P energy: -85.207
tors. eta vs tors. theta energy: -186.611
Dist. restrs. and SS energy: 10.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -2074.493469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.493469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.391387 (E_RNA)
where:
Base-Base interactions energy: -1464.400
where: short stacking energy: -593.066
Base-Backbone interact. energy: 3.947
local terms energy: -623.938234
where:
bonds (distance) C4'-P energy: -114.485
bonds (distance) P-C4' energy: -120.307
flat angles C4'-P-C4' energy: -130.012
flat angles P-C4'-P energy: -79.381
tors. eta vs tors. theta energy: -179.753
Dist. restrs. and SS energy: 9.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -1956.335182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.335182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.496867 (E_RNA)
where:
Base-Base interactions energy: -1377.289
where: short stacking energy: -572.412
Base-Backbone interact. energy: -3.278
local terms energy: -593.930460
where:
bonds (distance) C4'-P energy: -111.661
bonds (distance) P-C4' energy: -133.226
flat angles C4'-P-C4' energy: -138.612
flat angles P-C4'-P energy: -64.002
tors. eta vs tors. theta energy: -146.429
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: 6
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -1799.991210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.991210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.755291 (E_RNA)
where:
Base-Base interactions energy: -1285.267
where: short stacking energy: -529.609
Base-Backbone interact. energy: -0.230
local terms energy: -538.258102
where:
bonds (distance) C4'-P energy: -116.131
bonds (distance) P-C4' energy: -99.441
flat angles C4'-P-C4' energy: -126.882
flat angles P-C4'-P energy: -59.607
tors. eta vs tors. theta energy: -136.197
Dist. restrs. and SS energy: 23.764 (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: 8
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -2688.911902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.911902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.488749 (E_RNA)
where:
Base-Base interactions energy: -1902.397
where: short stacking energy: -793.509
Base-Backbone interact. energy: 2.324
local terms energy: -793.415049
where:
bonds (distance) C4'-P energy: -132.391
bonds (distance) P-C4' energy: -151.100
flat angles C4'-P-C4' energy: -168.620
flat angles P-C4'-P energy: -110.200
tors. eta vs tors. theta energy: -231.103
Dist. restrs. and SS energy: 4.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -2622.622581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.622581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.123168 (E_RNA)
where:
Base-Base interactions energy: -1828.207
where: short stacking energy: -776.191
Base-Backbone interact. energy: -1.384
local terms energy: -799.532194
where:
bonds (distance) C4'-P energy: -138.971
bonds (distance) P-C4' energy: -143.161
flat angles C4'-P-C4' energy: -175.821
flat angles P-C4'-P energy: -114.230
tors. eta vs tors. theta energy: -227.349
Dist. restrs. and SS energy: 6.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -2523.911329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.911329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.327772 (E_RNA)
where:
Base-Base interactions energy: -1777.386
where: short stacking energy: -764.756
Base-Backbone interact. energy: -5.265
local terms energy: -751.676377
where:
bonds (distance) C4'-P energy: -127.935
bonds (distance) P-C4' energy: -140.065
flat angles C4'-P-C4' energy: -155.991
flat angles P-C4'-P energy: -114.495
tors. eta vs tors. theta energy: -213.190
Dist. restrs. and SS energy: 10.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -2450.308738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.308738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.392980 (E_RNA)
where:
Base-Base interactions energy: -1729.450
where: short stacking energy: -704.390
Base-Backbone interact. energy: -1.376
local terms energy: -726.566370
where:
bonds (distance) C4'-P energy: -142.246
bonds (distance) P-C4' energy: -119.163
flat angles C4'-P-C4' energy: -153.707
flat angles P-C4'-P energy: -109.890
tors. eta vs tors. theta energy: -201.560
Dist. restrs. and SS energy: 7.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -2416.404833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.404833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.420821 (E_RNA)
where:
Base-Base interactions energy: -1713.900
where: short stacking energy: -726.589
Base-Backbone interact. energy: -2.366
local terms energy: -712.155178
where:
bonds (distance) C4'-P energy: -122.831
bonds (distance) P-C4' energy: -120.380
flat angles C4'-P-C4' energy: -153.962
flat angles P-C4'-P energy: -103.705
tors. eta vs tors. theta energy: -211.277
Dist. restrs. and SS energy: 12.016 (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: 9
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -2267.877036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.877036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.345927 (E_RNA)
where:
Base-Base interactions energy: -1584.040
where: short stacking energy: -670.743
Base-Backbone interact. energy: -0.367
local terms energy: -695.938957
where:
bonds (distance) C4'-P energy: -128.146
bonds (distance) P-C4' energy: -131.653
flat angles C4'-P-C4' energy: -148.811
flat angles P-C4'-P energy: -93.517
tors. eta vs tors. theta energy: -193.812
Dist. restrs. and SS energy: 12.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -2218.225363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.225363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.042106 (E_RNA)
where:
Base-Base interactions energy: -1548.493
where: short stacking energy: -671.516
Base-Backbone interact. energy: -1.990
local terms energy: -681.559703
where:
bonds (distance) C4'-P energy: -97.309
bonds (distance) P-C4' energy: -138.955
flat angles C4'-P-C4' energy: -150.076
flat angles P-C4'-P energy: -95.674
tors. eta vs tors. theta energy: -199.546
Dist. restrs. and SS energy: 13.817 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -2043.366095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.366095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.058083 (E_RNA)
where:
Base-Base interactions energy: -1415.140
where: short stacking energy: -569.665
Base-Backbone interact. energy: -1.138
local terms energy: -644.780248
where:
bonds (distance) C4'-P energy: -131.660
bonds (distance) P-C4' energy: -131.968
flat angles C4'-P-C4' energy: -133.801
flat angles P-C4'-P energy: -92.590
tors. eta vs tors. theta energy: -154.762
Dist. restrs. and SS energy: 17.692 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -2014.529773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.529773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.270265 (E_RNA)
where:
Base-Base interactions energy: -1422.784
where: short stacking energy: -596.154
Base-Backbone interact. energy: 0.817
local terms energy: -608.303421
where:
bonds (distance) C4'-P energy: -117.334
bonds (distance) P-C4' energy: -123.551
flat angles C4'-P-C4' energy: -128.155
flat angles P-C4'-P energy: -75.339
tors. eta vs tors. theta energy: -163.924
Dist. restrs. and SS energy: 15.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -1838.174680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.174680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.196996 (E_RNA)
where:
Base-Base interactions energy: -1253.486
where: short stacking energy: -538.104
Base-Backbone interact. energy: -3.694
local terms energy: -612.017536
where:
bonds (distance) C4'-P energy: -115.806
bonds (distance) P-C4' energy: -123.991
flat angles C4'-P-C4' energy: -135.271
flat angles P-C4'-P energy: -76.833
tors. eta vs tors. theta energy: -160.116
Dist. restrs. and SS energy: 31.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -2667.655852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.655852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.134118 (E_RNA)
where:
Base-Base interactions energy: -1873.581
where: short stacking energy: -788.029
Base-Backbone interact. energy: -3.699
local terms energy: -793.854158
where:
bonds (distance) C4'-P energy: -138.305
bonds (distance) P-C4' energy: -154.166
flat angles C4'-P-C4' energy: -162.273
flat angles P-C4'-P energy: -107.456
tors. eta vs tors. theta energy: -231.654
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: 10
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -2623.555904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.555904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.148442 (E_RNA)
where:
Base-Base interactions energy: -1833.554
where: short stacking energy: -750.516
Base-Backbone interact. energy: -2.274
local terms energy: -791.319523
where:
bonds (distance) C4'-P energy: -140.803
bonds (distance) P-C4' energy: -149.426
flat angles C4'-P-C4' energy: -163.929
flat angles P-C4'-P energy: -111.679
tors. eta vs tors. theta energy: -225.483
Dist. restrs. and SS energy: 3.593 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -2545.719942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.719942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.441270 (E_RNA)
where:
Base-Base interactions energy: -1775.171
where: short stacking energy: -748.278
Base-Backbone interact. energy: 0.126
local terms energy: -777.395892
where:
bonds (distance) C4'-P energy: -151.602
bonds (distance) P-C4' energy: -132.241
flat angles C4'-P-C4' energy: -164.522
flat angles P-C4'-P energy: -104.688
tors. eta vs tors. theta energy: -224.342
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: 4, replica: 2
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -2483.675243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.675243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.543583 (E_RNA)
where:
Base-Base interactions energy: -1736.117
where: short stacking energy: -700.581
Base-Backbone interact. energy: -1.018
local terms energy: -755.408624
where:
bonds (distance) C4'-P energy: -133.219
bonds (distance) P-C4' energy: -142.813
flat angles C4'-P-C4' energy: -152.180
flat angles P-C4'-P energy: -113.381
tors. eta vs tors. theta energy: -213.816
Dist. restrs. and SS energy: 8.868 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -2403.031590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.031590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.171642 (E_RNA)
where:
Base-Base interactions energy: -1691.605
where: short stacking energy: -705.113
Base-Backbone interact. energy: -0.894
local terms energy: -719.672454
where:
bonds (distance) C4'-P energy: -130.489
bonds (distance) P-C4' energy: -135.305
flat angles C4'-P-C4' energy: -156.041
flat angles P-C4'-P energy: -93.785
tors. eta vs tors. theta energy: -204.052
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: 6, replica: 9
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -2279.410761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.410761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.210237 (E_RNA)
where:
Base-Base interactions energy: -1598.507
where: short stacking energy: -667.327
Base-Backbone interact. energy: -2.602
local terms energy: -692.100348
where:
bonds (distance) C4'-P energy: -126.072
bonds (distance) P-C4' energy: -125.645
flat angles C4'-P-C4' energy: -143.040
flat angles P-C4'-P energy: -101.809
tors. eta vs tors. theta energy: -195.534
Dist. restrs. and SS energy: 13.799 (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: 84
Temperature: 1.200000
Total energy: -2206.282521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.282521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.233833 (E_RNA)
where:
Base-Base interactions energy: -1547.565
where: short stacking energy: -648.743
Base-Backbone interact. energy: -0.659
local terms energy: -670.010153
where:
bonds (distance) C4'-P energy: -132.722
bonds (distance) P-C4' energy: -126.758
flat angles C4'-P-C4' energy: -127.020
flat angles P-C4'-P energy: -99.009
tors. eta vs tors. theta energy: -184.501
Dist. restrs. and SS energy: 11.951 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -2036.989205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.989205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.625006 (E_RNA)
where:
Base-Base interactions energy: -1453.931
where: short stacking energy: -584.486
Base-Backbone interact. energy: -1.479
local terms energy: -593.215037
where:
bonds (distance) C4'-P energy: -130.991
bonds (distance) P-C4' energy: -120.665
flat angles C4'-P-C4' energy: -116.115
flat angles P-C4'-P energy: -74.416
tors. eta vs tors. theta energy: -151.028
Dist. restrs. and SS energy: 11.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -2099.583312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.583312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.595848 (E_RNA)
where:
Base-Base interactions energy: -1481.088
where: short stacking energy: -619.328
Base-Backbone interact. energy: -1.741
local terms energy: -627.767061
where:
bonds (distance) C4'-P energy: -119.526
bonds (distance) P-C4' energy: -120.428
flat angles C4'-P-C4' energy: -128.020
flat angles P-C4'-P energy: -69.057
tors. eta vs tors. theta energy: -190.736
Dist. restrs. and SS energy: 11.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -1841.841128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.841128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.178576 (E_RNA)
where:
Base-Base interactions energy: -1301.176
where: short stacking energy: -528.705
Base-Backbone interact. energy: 0.413
local terms energy: -580.416018
where:
bonds (distance) C4'-P energy: -100.243
bonds (distance) P-C4' energy: -115.498
flat angles C4'-P-C4' energy: -136.888
flat angles P-C4'-P energy: -89.814
tors. eta vs tors. theta energy: -137.974
Dist. restrs. and SS energy: 39.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -2673.868739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.868739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.353649 (E_RNA)
where:
Base-Base interactions energy: -1854.500
where: short stacking energy: -771.027
Base-Backbone interact. energy: -2.414
local terms energy: -821.439463
where:
bonds (distance) C4'-P energy: -149.416
bonds (distance) P-C4' energy: -156.988
flat angles C4'-P-C4' energy: -167.860
flat angles P-C4'-P energy: -120.212
tors. eta vs tors. theta energy: -226.964
Dist. restrs. and SS energy: 4.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -2603.084802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.084802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.616378 (E_RNA)
where:
Base-Base interactions energy: -1817.544
where: short stacking energy: -767.761
Base-Backbone interact. energy: -3.936
local terms energy: -791.136827
where:
bonds (distance) C4'-P energy: -142.015
bonds (distance) P-C4' energy: -143.887
flat angles C4'-P-C4' energy: -168.660
flat angles P-C4'-P energy: -109.689
tors. eta vs tors. theta energy: -226.886
Dist. restrs. and SS energy: 9.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -2535.941940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.941940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.623544 (E_RNA)
where:
Base-Base interactions energy: -1765.293
where: short stacking energy: -740.491
Base-Backbone interact. energy: -1.595
local terms energy: -777.736141
where:
bonds (distance) C4'-P energy: -133.436
bonds (distance) P-C4' energy: -135.268
flat angles C4'-P-C4' energy: -152.589
flat angles P-C4'-P energy: -126.472
tors. eta vs tors. theta energy: -229.971
Dist. restrs. and SS energy: 8.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -2508.055137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.055137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.828777 (E_RNA)
where:
Base-Base interactions energy: -1782.862
where: short stacking energy: -728.612
Base-Backbone interact. energy: -2.107
local terms energy: -729.859579
where:
bonds (distance) C4'-P energy: -129.766
bonds (distance) P-C4' energy: -135.612
flat angles C4'-P-C4' energy: -156.513
flat angles P-C4'-P energy: -106.619
tors. eta vs tors. theta energy: -201.350
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: 85
Temperature: 1.100000
Total energy: -2418.437965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.437965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.479412 (E_RNA)
where:
Base-Base interactions energy: -1713.924
where: short stacking energy: -727.038
Base-Backbone interact. energy: -0.241
local terms energy: -717.315130
where:
bonds (distance) C4'-P energy: -120.390
bonds (distance) P-C4' energy: -118.468
flat angles C4'-P-C4' energy: -166.305
flat angles P-C4'-P energy: -92.111
tors. eta vs tors. theta energy: -220.042
Dist. restrs. and SS energy: 13.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -2282.008880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.008880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.845137 (E_RNA)
where:
Base-Base interactions energy: -1596.252
where: short stacking energy: -656.729
Base-Backbone interact. energy: -2.762
local terms energy: -693.830627
where:
bonds (distance) C4'-P energy: -117.984
bonds (distance) P-C4' energy: -117.229
flat angles C4'-P-C4' energy: -160.584
flat angles P-C4'-P energy: -93.834
tors. eta vs tors. theta energy: -204.199
Dist. restrs. and SS energy: 10.836 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -2188.839048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.839048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.280823 (E_RNA)
where:
Base-Base interactions energy: -1514.213
where: short stacking energy: -637.808
Base-Backbone interact. energy: -2.056
local terms energy: -684.011892
where:
bonds (distance) C4'-P energy: -124.164
bonds (distance) P-C4' energy: -125.980
flat angles C4'-P-C4' energy: -146.947
flat angles P-C4'-P energy: -88.676
tors. eta vs tors. theta energy: -198.245
Dist. restrs. and SS energy: 11.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -2058.292060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.292060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.492567 (E_RNA)
where:
Base-Base interactions energy: -1421.844
where: short stacking energy: -578.122
Base-Backbone interact. energy: 0.935
local terms energy: -653.582972
where:
bonds (distance) C4'-P energy: -118.526
bonds (distance) P-C4' energy: -149.277
flat angles C4'-P-C4' energy: -143.432
flat angles P-C4'-P energy: -76.480
tors. eta vs tors. theta energy: -165.869
Dist. restrs. and SS energy: 16.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -1973.228938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.228938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.609775 (E_RNA)
where:
Base-Base interactions energy: -1400.006
where: short stacking energy: -575.340
Base-Backbone interact. energy: -1.716
local terms energy: -586.888075
where:
bonds (distance) C4'-P energy: -106.822
bonds (distance) P-C4' energy: -116.377
flat angles C4'-P-C4' energy: -142.981
flat angles P-C4'-P energy: -82.336
tors. eta vs tors. theta energy: -138.372
Dist. restrs. and SS energy: 15.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -1870.589125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.589125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.162779 (E_RNA)
where:
Base-Base interactions energy: -1299.165
where: short stacking energy: -509.304
Base-Backbone interact. energy: -2.368
local terms energy: -592.629256
where:
bonds (distance) C4'-P energy: -108.852
bonds (distance) P-C4' energy: -130.255
flat angles C4'-P-C4' energy: -123.640
flat angles P-C4'-P energy: -92.770
tors. eta vs tors. theta energy: -137.112
Dist. restrs. and SS energy: 23.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -2687.394428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.394428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.868108 (E_RNA)
where:
Base-Base interactions energy: -1893.757
where: short stacking energy: -794.995
Base-Backbone interact. energy: -0.733
local terms energy: -797.377955
where:
bonds (distance) C4'-P energy: -133.649
bonds (distance) P-C4' energy: -145.528
flat angles C4'-P-C4' energy: -160.900
flat angles P-C4'-P energy: -121.043
tors. eta vs tors. theta energy: -236.258
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: 2, replica: 1
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -2591.425980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.425980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.839581 (E_RNA)
where:
Base-Base interactions energy: -1806.310
where: short stacking energy: -747.478
Base-Backbone interact. energy: -2.762
local terms energy: -789.767206
where:
bonds (distance) C4'-P energy: -145.885
bonds (distance) P-C4' energy: -131.148
flat angles C4'-P-C4' energy: -168.452
flat angles P-C4'-P energy: -118.320
tors. eta vs tors. theta energy: -225.962
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: 3, replica: 10
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -2538.421197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.421197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.156428 (E_RNA)
where:
Base-Base interactions energy: -1758.842
where: short stacking energy: -764.211
Base-Backbone interact. energy: -1.713
local terms energy: -782.600938
where:
bonds (distance) C4'-P energy: -133.703
bonds (distance) P-C4' energy: -146.462
flat angles C4'-P-C4' energy: -159.113
flat angles P-C4'-P energy: -116.704
tors. eta vs tors. theta energy: -226.618
Dist. restrs. and SS energy: 4.735 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -2488.331598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.331598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.547753 (E_RNA)
where:
Base-Base interactions energy: -1761.551
where: short stacking energy: -750.469
Base-Backbone interact. energy: -2.590
local terms energy: -731.405977
where:
bonds (distance) C4'-P energy: -117.708
bonds (distance) P-C4' energy: -135.668
flat angles C4'-P-C4' energy: -154.862
flat angles P-C4'-P energy: -102.875
tors. eta vs tors. theta energy: -220.294
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: 5, replica: 7
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -2428.932422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.932422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.436724 (E_RNA)
where:
Base-Base interactions energy: -1724.563
where: short stacking energy: -718.080
Base-Backbone interact. energy: -2.551
local terms energy: -710.322343
where:
bonds (distance) C4'-P energy: -113.796
bonds (distance) P-C4' energy: -134.098
flat angles C4'-P-C4' energy: -142.918
flat angles P-C4'-P energy: -104.648
tors. eta vs tors. theta energy: -214.862
Dist. restrs. and SS energy: 8.504 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -2334.080387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.080387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.883424 (E_RNA)
where:
Base-Base interactions energy: -1631.267
where: short stacking energy: -669.954
Base-Backbone interact. energy: -1.140
local terms energy: -713.476446
where:
bonds (distance) C4'-P energy: -139.896
bonds (distance) P-C4' energy: -127.262
flat angles C4'-P-C4' energy: -148.535
flat angles P-C4'-P energy: -90.934
tors. eta vs tors. theta energy: -206.850
Dist. restrs. and SS energy: 11.803 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -2225.808707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.808707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.542345 (E_RNA)
where:
Base-Base interactions energy: -1552.909
where: short stacking energy: -632.664
Base-Backbone interact. energy: -2.181
local terms energy: -679.453020
where:
bonds (distance) C4'-P energy: -134.112
bonds (distance) P-C4' energy: -117.044
flat angles C4'-P-C4' energy: -150.082
flat angles P-C4'-P energy: -94.335
tors. eta vs tors. theta energy: -183.879
Dist. restrs. and SS energy: 8.734 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -2050.005087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.005087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.641911 (E_RNA)
where:
Base-Base interactions energy: -1468.289
where: short stacking energy: -611.641
Base-Backbone interact. energy: 1.717
local terms energy: -597.070113
where:
bonds (distance) C4'-P energy: -101.904
bonds (distance) P-C4' energy: -116.700
flat angles C4'-P-C4' energy: -138.295
flat angles P-C4'-P energy: -69.123
tors. eta vs tors. theta energy: -171.047
Dist. restrs. and SS energy: 13.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -1992.351314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.351314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.624795 (E_RNA)
where:
Base-Base interactions energy: -1379.386
where: short stacking energy: -567.031
Base-Backbone interact. energy: -3.451
local terms energy: -620.787832
where:
bonds (distance) C4'-P energy: -110.356
bonds (distance) P-C4' energy: -128.847
flat angles C4'-P-C4' energy: -133.609
flat angles P-C4'-P energy: -80.821
tors. eta vs tors. theta energy: -167.154
Dist. restrs. and SS energy: 11.273 (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: 86
Temperature: 1.350000
Total energy: -1848.341481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.341481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.325252 (E_RNA)
where:
Base-Base interactions energy: -1290.477
where: short stacking energy: -540.082
Base-Backbone interact. energy: 1.638
local terms energy: -586.486334
where:
bonds (distance) C4'-P energy: -108.013
bonds (distance) P-C4' energy: -110.035
flat angles C4'-P-C4' energy: -128.095
flat angles P-C4'-P energy: -85.856
tors. eta vs tors. theta energy: -154.488
Dist. restrs. and SS energy: 26.984 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -2668.301409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.301409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.801418 (E_RNA)
where:
Base-Base interactions energy: -1878.849
where: short stacking energy: -785.470
Base-Backbone interact. energy: -5.024
local terms energy: -787.928458
where:
bonds (distance) C4'-P energy: -144.896
bonds (distance) P-C4' energy: -145.762
flat angles C4'-P-C4' energy: -164.454
flat angles P-C4'-P energy: -111.270
tors. eta vs tors. theta energy: -221.545
Dist. restrs. and SS energy: 3.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -2599.338126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.338126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.894475 (E_RNA)
where:
Base-Base interactions energy: -1820.302
where: short stacking energy: -751.352
Base-Backbone interact. energy: -0.660
local terms energy: -784.933088
where:
bonds (distance) C4'-P energy: -132.415
bonds (distance) P-C4' energy: -157.080
flat angles C4'-P-C4' energy: -162.426
flat angles P-C4'-P energy: -113.009
tors. eta vs tors. theta energy: -220.004
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: 10
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -2554.660674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.660674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.106488 (E_RNA)
where:
Base-Base interactions energy: -1778.898
where: short stacking energy: -757.360
Base-Backbone interact. energy: -2.190
local terms energy: -781.018149
where:
bonds (distance) C4'-P energy: -145.563
bonds (distance) P-C4' energy: -142.825
flat angles C4'-P-C4' energy: -157.811
flat angles P-C4'-P energy: -101.535
tors. eta vs tors. theta energy: -233.284
Dist. restrs. and SS energy: 7.446 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -2505.723030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.723030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.691302 (E_RNA)
where:
Base-Base interactions energy: -1754.562
where: short stacking energy: -725.217
Base-Backbone interact. energy: -1.030
local terms energy: -754.100193
where:
bonds (distance) C4'-P energy: -118.842
bonds (distance) P-C4' energy: -139.142
flat angles C4'-P-C4' energy: -157.714
flat angles P-C4'-P energy: -118.732
tors. eta vs tors. theta energy: -219.670
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: 5, replica: 7
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -2460.869643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.869643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.610395 (E_RNA)
where:
Base-Base interactions energy: -1723.048
where: short stacking energy: -733.927
Base-Backbone interact. energy: 2.230
local terms energy: -757.792595
where:
bonds (distance) C4'-P energy: -137.869
bonds (distance) P-C4' energy: -135.079
flat angles C4'-P-C4' energy: -165.513
flat angles P-C4'-P energy: -102.992
tors. eta vs tors. theta energy: -216.339
Dist. restrs. and SS energy: 17.741 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -2327.430014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.430014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.372883 (E_RNA)
where:
Base-Base interactions energy: -1621.118
where: short stacking energy: -696.745
Base-Backbone interact. energy: -3.804
local terms energy: -716.450652
where:
bonds (distance) C4'-P energy: -138.022
bonds (distance) P-C4' energy: -118.014
flat angles C4'-P-C4' energy: -146.240
flat angles P-C4'-P energy: -105.430
tors. eta vs tors. theta energy: -208.745
Dist. restrs. and SS energy: 13.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -2201.470597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.470597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.930588 (E_RNA)
where:
Base-Base interactions energy: -1525.083
where: short stacking energy: -672.010
Base-Backbone interact. energy: -0.744
local terms energy: -690.103701
where:
bonds (distance) C4'-P energy: -122.401
bonds (distance) P-C4' energy: -113.043
flat angles C4'-P-C4' energy: -149.571
flat angles P-C4'-P energy: -103.509
tors. eta vs tors. theta energy: -201.579
Dist. restrs. and SS energy: 14.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -2086.927285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.927285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.246807 (E_RNA)
where:
Base-Base interactions energy: -1457.903
where: short stacking energy: -613.472
Base-Backbone interact. energy: 0.794
local terms energy: -643.137830
where:
bonds (distance) C4'-P energy: -115.673
bonds (distance) P-C4' energy: -126.090
flat angles C4'-P-C4' energy: -142.788
flat angles P-C4'-P energy: -89.690
tors. eta vs tors. theta energy: -168.897
Dist. restrs. and SS energy: 13.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -1956.886945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.886945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.062356 (E_RNA)
where:
Base-Base interactions energy: -1378.383
where: short stacking energy: -567.299
Base-Backbone interact. energy: -1.293
local terms energy: -592.386172
where:
bonds (distance) C4'-P energy: -85.477
bonds (distance) P-C4' energy: -114.931
flat angles C4'-P-C4' energy: -133.157
flat angles P-C4'-P energy: -104.921
tors. eta vs tors. theta energy: -153.900
Dist. restrs. and SS energy: 15.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -1950.418268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.418268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.701205 (E_RNA)
where:
Base-Base interactions energy: -1374.361
where: short stacking energy: -568.136
Base-Backbone interact. energy: -1.484
local terms energy: -593.856607
where:
bonds (distance) C4'-P energy: -100.792
bonds (distance) P-C4' energy: -117.608
flat angles C4'-P-C4' energy: -141.981
flat angles P-C4'-P energy: -77.752
tors. eta vs tors. theta energy: -155.723
Dist. restrs. and SS energy: 19.283 (S_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: 88
Temperature: 0.900000
Total energy: -2674.279819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.279819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.553410 (E_RNA)
where:
Base-Base interactions energy: -1888.664
where: short stacking energy: -798.783
Base-Backbone interact. energy: -5.028
local terms energy: -785.862154
where:
bonds (distance) C4'-P energy: -149.680
bonds (distance) P-C4' energy: -136.100
flat angles C4'-P-C4' energy: -156.888
flat angles P-C4'-P energy: -114.398
tors. eta vs tors. theta energy: -228.796
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: 2, replica: 8
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -2653.923738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.923738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.894508 (E_RNA)
where:
Base-Base interactions energy: -1852.990
where: short stacking energy: -782.489
Base-Backbone interact. energy: -2.675
local terms energy: -802.229288
where:
bonds (distance) C4'-P energy: -129.143
bonds (distance) P-C4' energy: -146.004
flat angles C4'-P-C4' energy: -171.339
flat angles P-C4'-P energy: -122.146
tors. eta vs tors. theta energy: -233.598
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: 3, replica: 2
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -2513.551808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.551808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.131471 (E_RNA)
where:
Base-Base interactions energy: -1740.216
where: short stacking energy: -732.536
Base-Backbone interact. energy: -3.495
local terms energy: -774.420623
where:
bonds (distance) C4'-P energy: -145.291
bonds (distance) P-C4' energy: -135.344
flat angles C4'-P-C4' energy: -157.132
flat angles P-C4'-P energy: -114.093
tors. eta vs tors. theta energy: -222.561
Dist. restrs. and SS energy: 4.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -2508.684532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.684532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.529152 (E_RNA)
where:
Base-Base interactions energy: -1748.264
where: short stacking energy: -745.055
Base-Backbone interact. energy: -1.944
local terms energy: -764.321049
where:
bonds (distance) C4'-P energy: -134.900
bonds (distance) P-C4' energy: -149.448
flat angles C4'-P-C4' energy: -151.646
flat angles P-C4'-P energy: -111.876
tors. eta vs tors. theta energy: -216.451
Dist. restrs. and SS energy: 5.845 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -2403.844450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.844450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.147668 (E_RNA)
where:
Base-Base interactions energy: -1697.098
where: short stacking energy: -710.049
Base-Backbone interact. energy: -1.001
local terms energy: -711.049327
where:
bonds (distance) C4'-P energy: -121.620
bonds (distance) P-C4' energy: -136.687
flat angles C4'-P-C4' energy: -140.611
flat angles P-C4'-P energy: -97.108
tors. eta vs tors. theta energy: -215.024
Dist. restrs. and SS energy: 5.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -2270.541449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.541449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.176953 (E_RNA)
where:
Base-Base interactions energy: -1592.708
where: short stacking energy: -657.182
Base-Backbone interact. energy: -1.988
local terms energy: -689.480628
where:
bonds (distance) C4'-P energy: -140.158
bonds (distance) P-C4' energy: -119.434
flat angles C4'-P-C4' energy: -147.582
flat angles P-C4'-P energy: -90.267
tors. eta vs tors. theta energy: -192.040
Dist. restrs. and SS energy: 13.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -2255.829067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.829067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.906300 (E_RNA)
where:
Base-Base interactions energy: -1588.133
where: short stacking energy: -657.042
Base-Backbone interact. energy: -4.434
local terms energy: -675.339481
where:
bonds (distance) C4'-P energy: -108.247
bonds (distance) P-C4' energy: -118.311
flat angles C4'-P-C4' energy: -151.118
flat angles P-C4'-P energy: -95.613
tors. eta vs tors. theta energy: -202.049
Dist. restrs. and SS energy: 12.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -2115.969277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.969277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.810248 (E_RNA)
where:
Base-Base interactions energy: -1483.080
where: short stacking energy: -626.235
Base-Backbone interact. energy: -1.720
local terms energy: -651.010655
where:
bonds (distance) C4'-P energy: -121.291
bonds (distance) P-C4' energy: -116.712
flat angles C4'-P-C4' energy: -128.743
flat angles P-C4'-P energy: -88.438
tors. eta vs tors. theta energy: -195.827
Dist. restrs. and SS energy: 19.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -1942.615122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.615122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.204754 (E_RNA)
where:
Base-Base interactions energy: -1377.576
where: short stacking energy: -561.224
Base-Backbone interact. energy: 2.256
local terms energy: -576.884654
where:
bonds (distance) C4'-P energy: -110.710
bonds (distance) P-C4' energy: -118.957
flat angles C4'-P-C4' energy: -126.567
flat angles P-C4'-P energy: -61.870
tors. eta vs tors. theta energy: -158.782
Dist. restrs. and SS energy: 9.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -1912.370409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.370409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.155241 (E_RNA)
where:
Base-Base interactions energy: -1370.808
where: short stacking energy: -570.753
Base-Backbone interact. energy: 0.714
local terms energy: -565.061190
where:
bonds (distance) C4'-P energy: -114.049
bonds (distance) P-C4' energy: -104.496
flat angles C4'-P-C4' energy: -119.575
flat angles P-C4'-P energy: -74.506
tors. eta vs tors. theta energy: -152.435
Dist. restrs. and SS energy: 22.785 (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: 1
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -2656.743711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.743711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.404585 (E_RNA)
where:
Base-Base interactions energy: -1850.530
where: short stacking energy: -787.764
Base-Backbone interact. energy: -0.799
local terms energy: -810.075782
where:
bonds (distance) C4'-P energy: -147.188
bonds (distance) P-C4' energy: -145.730
flat angles C4'-P-C4' energy: -174.638
flat angles P-C4'-P energy: -94.720
tors. eta vs tors. theta energy: -247.801
Dist. restrs. and SS energy: 4.661 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -2617.666839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.666839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.676042 (E_RNA)
where:
Base-Base interactions energy: -1829.898
where: short stacking energy: -754.320
Base-Backbone interact. energy: 1.386
local terms energy: -795.164072
where:
bonds (distance) C4'-P energy: -148.628
bonds (distance) P-C4' energy: -149.171
flat angles C4'-P-C4' energy: -161.879
flat angles P-C4'-P energy: -108.435
tors. eta vs tors. theta energy: -227.051
Dist. restrs. and SS energy: 6.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -2557.987848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.987848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.986533 (E_RNA)
where:
Base-Base interactions energy: -1798.850
where: short stacking energy: -766.568
Base-Backbone interact. energy: -2.305
local terms energy: -761.832316
where:
bonds (distance) C4'-P energy: -135.551
bonds (distance) P-C4' energy: -146.814
flat angles C4'-P-C4' energy: -161.403
flat angles P-C4'-P energy: -95.692
tors. eta vs tors. theta energy: -222.373
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: 4, replica: 10
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -2468.614288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.614288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.029000 (E_RNA)
where:
Base-Base interactions energy: -1704.557
where: short stacking energy: -738.557
Base-Backbone interact. energy: -0.463
local terms energy: -773.009369
where:
bonds (distance) C4'-P energy: -126.942
bonds (distance) P-C4' energy: -150.080
flat angles C4'-P-C4' energy: -157.727
flat angles P-C4'-P energy: -109.994
tors. eta vs tors. theta energy: -228.267
Dist. restrs. and SS energy: 9.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -2399.344782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.344782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.050869 (E_RNA)
where:
Base-Base interactions energy: -1697.826
where: short stacking energy: -717.059
Base-Backbone interact. energy: -2.909
local terms energy: -710.315857
where:
bonds (distance) C4'-P energy: -137.344
bonds (distance) P-C4' energy: -119.719
flat angles C4'-P-C4' energy: -160.258
flat angles P-C4'-P energy: -87.275
tors. eta vs tors. theta energy: -205.721
Dist. restrs. and SS energy: 11.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -2297.427279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.427279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.805129 (E_RNA)
where:
Base-Base interactions energy: -1631.669
where: short stacking energy: -684.283
Base-Backbone interact. energy: -2.314
local terms energy: -680.821983
where:
bonds (distance) C4'-P energy: -126.631
bonds (distance) P-C4' energy: -120.447
flat angles C4'-P-C4' energy: -149.321
flat angles P-C4'-P energy: -95.407
tors. eta vs tors. theta energy: -189.016
Dist. restrs. and SS energy: 17.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -2189.018237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.018237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.724308 (E_RNA)
where:
Base-Base interactions energy: -1523.197
where: short stacking energy: -653.224
Base-Backbone interact. energy: -2.270
local terms energy: -676.257099
where:
bonds (distance) C4'-P energy: -119.655
bonds (distance) P-C4' energy: -125.015
flat angles C4'-P-C4' energy: -146.003
flat angles P-C4'-P energy: -87.281
tors. eta vs tors. theta energy: -198.304
Dist. restrs. and SS energy: 12.706 (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: 5
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -2123.041682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.041682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.866320 (E_RNA)
where:
Base-Base interactions energy: -1526.691
where: short stacking energy: -637.226
Base-Backbone interact. energy: 0.834
local terms energy: -619.009804
where:
bonds (distance) C4'-P energy: -110.305
bonds (distance) P-C4' energy: -117.293
flat angles C4'-P-C4' energy: -132.860
flat angles P-C4'-P energy: -82.594
tors. eta vs tors. theta energy: -175.958
Dist. restrs. and SS energy: 21.825 (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: 89
Temperature: 1.300000
Total energy: -1991.336361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.336361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.729605 (E_RNA)
where:
Base-Base interactions energy: -1408.753
where: short stacking energy: -590.863
Base-Backbone interact. energy: 1.011
local terms energy: -599.987607
where:
bonds (distance) C4'-P energy: -122.131
bonds (distance) P-C4' energy: -112.925
flat angles C4'-P-C4' energy: -124.327
flat angles P-C4'-P energy: -73.818
tors. eta vs tors. theta energy: -166.787
Dist. restrs. and SS energy: 16.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -1859.807486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.807486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.724698 (E_RNA)
where:
Base-Base interactions energy: -1270.189
where: short stacking energy: -483.804
Base-Backbone interact. energy: -0.921
local terms energy: -615.615158
where:
bonds (distance) C4'-P energy: -125.873
bonds (distance) P-C4' energy: -138.341
flat angles C4'-P-C4' energy: -146.200
flat angles P-C4'-P energy: -79.336
tors. eta vs tors. theta energy: -125.866
Dist. restrs. and SS energy: 26.917 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -2686.458259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.458259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.898890 (E_RNA)
where:
Base-Base interactions energy: -1863.082
where: short stacking energy: -792.040
Base-Backbone interact. energy: -3.277
local terms energy: -825.540540
where:
bonds (distance) C4'-P energy: -151.063
bonds (distance) P-C4' energy: -154.539
flat angles C4'-P-C4' energy: -170.922
flat angles P-C4'-P energy: -115.674
tors. eta vs tors. theta energy: -233.341
Dist. restrs. and SS energy: 5.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -2599.801199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.801199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.230660 (E_RNA)
where:
Base-Base interactions energy: -1828.484
where: short stacking energy: -788.087
Base-Backbone interact. energy: -3.679
local terms energy: -775.068023
where:
bonds (distance) C4'-P energy: -143.582
bonds (distance) P-C4' energy: -139.642
flat angles C4'-P-C4' energy: -159.743
flat angles P-C4'-P energy: -105.985
tors. eta vs tors. theta energy: -226.115
Dist. restrs. and SS energy: 7.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -2541.343314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.343314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.495141 (E_RNA)
where:
Base-Base interactions energy: -1779.740
where: short stacking energy: -753.459
Base-Backbone interact. energy: -1.665
local terms energy: -764.089303
where:
bonds (distance) C4'-P energy: -119.367
bonds (distance) P-C4' energy: -149.755
flat angles C4'-P-C4' energy: -162.622
flat angles P-C4'-P energy: -105.294
tors. eta vs tors. theta energy: -227.052
Dist. restrs. and SS energy: 4.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -2493.954468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.954468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.398159 (E_RNA)
where:
Base-Base interactions energy: -1766.357
where: short stacking energy: -760.566
Base-Backbone interact. energy: -2.037
local terms energy: -737.005031
where:
bonds (distance) C4'-P energy: -130.053
bonds (distance) P-C4' energy: -124.011
flat angles C4'-P-C4' energy: -156.177
flat angles P-C4'-P energy: -113.878
tors. eta vs tors. theta energy: -212.886
Dist. restrs. and SS energy: 11.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -2405.071655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.071655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.939448 (E_RNA)
where:
Base-Base interactions energy: -1701.933
where: short stacking energy: -723.122
Base-Backbone interact. energy: -0.808
local terms energy: -718.198098
where:
bonds (distance) C4'-P energy: -131.434
bonds (distance) P-C4' energy: -114.663
flat angles C4'-P-C4' energy: -159.429
flat angles P-C4'-P energy: -104.880
tors. eta vs tors. theta energy: -207.794
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: 6, replica: 9
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -2301.621802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.621802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.284555 (E_RNA)
where:
Base-Base interactions energy: -1602.944
where: short stacking energy: -650.100
Base-Backbone interact. energy: -3.316
local terms energy: -708.024840
where:
bonds (distance) C4'-P energy: -151.990
bonds (distance) P-C4' energy: -123.153
flat angles C4'-P-C4' energy: -149.625
flat angles P-C4'-P energy: -83.659
tors. eta vs tors. theta energy: -199.597
Dist. restrs. and SS energy: 12.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -2202.003224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.003224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.060160 (E_RNA)
where:
Base-Base interactions energy: -1535.707
where: short stacking energy: -666.524
Base-Backbone interact. energy: -3.210
local terms energy: -677.143147
where:
bonds (distance) C4'-P energy: -113.642
bonds (distance) P-C4' energy: -131.361
flat angles C4'-P-C4' energy: -149.567
flat angles P-C4'-P energy: -93.245
tors. eta vs tors. theta energy: -189.328
Dist. restrs. and SS energy: 14.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -2177.504431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.504431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.838351 (E_RNA)
where:
Base-Base interactions energy: -1529.657
where: short stacking energy: -646.470
Base-Backbone interact. energy: -3.481
local terms energy: -657.700660
where:
bonds (distance) C4'-P energy: -121.074
bonds (distance) P-C4' energy: -119.134
flat angles C4'-P-C4' energy: -134.608
flat angles P-C4'-P energy: -92.081
tors. eta vs tors. theta energy: -190.803
Dist. restrs. and SS energy: 13.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -1917.796762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.796762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.608424 (E_RNA)
where:
Base-Base interactions energy: -1364.500
where: short stacking energy: -544.523
Base-Backbone interact. energy: 1.881
local terms energy: -572.989751
where:
bonds (distance) C4'-P energy: -111.474
bonds (distance) P-C4' energy: -115.639
flat angles C4'-P-C4' energy: -133.140
flat angles P-C4'-P energy: -78.516
tors. eta vs tors. theta energy: -134.220
Dist. restrs. and SS energy: 17.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -1821.524506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.524506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.295541 (E_RNA)
where:
Base-Base interactions energy: -1261.690
where: short stacking energy: -499.883
Base-Backbone interact. energy: -0.862
local terms energy: -582.743910
where:
bonds (distance) C4'-P energy: -120.439
bonds (distance) P-C4' energy: -118.177
flat angles C4'-P-C4' energy: -129.793
flat angles P-C4'-P energy: -73.095
tors. eta vs tors. theta energy: -141.241
Dist. restrs. and SS energy: 23.771 (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: 91
Temperature: 0.900000
Total energy: -2689.257291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.257291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.889702 (E_RNA)
where:
Base-Base interactions energy: -1847.555
where: short stacking energy: -798.283
Base-Backbone interact. energy: -5.502
local terms energy: -843.831811
where:
bonds (distance) C4'-P energy: -158.921
bonds (distance) P-C4' energy: -156.063
flat angles C4'-P-C4' energy: -170.057
flat angles P-C4'-P energy: -117.283
tors. eta vs tors. theta energy: -241.508
Dist. restrs. and SS energy: 7.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -2596.097438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.097438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.546833 (E_RNA)
where:
Base-Base interactions energy: -1809.234
where: short stacking energy: -782.534
Base-Backbone interact. energy: -2.367
local terms energy: -793.945533
where:
bonds (distance) C4'-P energy: -142.273
bonds (distance) P-C4' energy: -137.756
flat angles C4'-P-C4' energy: -164.352
flat angles P-C4'-P energy: -113.056
tors. eta vs tors. theta energy: -236.509
Dist. restrs. and SS energy: 9.449 (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: 2
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -2578.962105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.962105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.480025 (E_RNA)
where:
Base-Base interactions energy: -1805.330
where: short stacking energy: -773.829
Base-Backbone interact. energy: -1.765
local terms energy: -776.385198
where:
bonds (distance) C4'-P energy: -133.883
bonds (distance) P-C4' energy: -144.397
flat angles C4'-P-C4' energy: -158.536
flat angles P-C4'-P energy: -105.873
tors. eta vs tors. theta energy: -233.697
Dist. restrs. and SS energy: 4.518 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -2506.975913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.975913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.338098 (E_RNA)
where:
Base-Base interactions energy: -1765.090
where: short stacking energy: -744.991
Base-Backbone interact. energy: -8.700
local terms energy: -738.548909
where:
bonds (distance) C4'-P energy: -128.481
bonds (distance) P-C4' energy: -121.091
flat angles C4'-P-C4' energy: -167.720
flat angles P-C4'-P energy: -96.430
tors. eta vs tors. theta energy: -224.827
Dist. restrs. and SS energy: 5.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -2444.652903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.652903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.873507 (E_RNA)
where:
Base-Base interactions energy: -1736.966
where: short stacking energy: -719.938
Base-Backbone interact. energy: -3.778
local terms energy: -716.130265
where:
bonds (distance) C4'-P energy: -138.849
bonds (distance) P-C4' energy: -124.483
flat angles C4'-P-C4' energy: -142.993
flat angles P-C4'-P energy: -95.054
tors. eta vs tors. theta energy: -214.751
Dist. restrs. and SS energy: 12.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -2318.263326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.263326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.548072 (E_RNA)
where:
Base-Base interactions energy: -1619.713
where: short stacking energy: -669.317
Base-Backbone interact. energy: -4.048
local terms energy: -712.787120
where:
bonds (distance) C4'-P energy: -137.917
bonds (distance) P-C4' energy: -129.740
flat angles C4'-P-C4' energy: -151.923
flat angles P-C4'-P energy: -102.258
tors. eta vs tors. theta energy: -190.949
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: 7, replica: 5
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -2139.833754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.833754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.296657 (E_RNA)
where:
Base-Base interactions energy: -1499.243
where: short stacking energy: -631.837
Base-Backbone interact. energy: -3.865
local terms energy: -648.188651
where:
bonds (distance) C4'-P energy: -128.290
bonds (distance) P-C4' energy: -128.828
flat angles C4'-P-C4' energy: -134.714
flat angles P-C4'-P energy: -77.814
tors. eta vs tors. theta energy: -178.542
Dist. restrs. and SS energy: 11.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -2151.514297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.514297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.381094 (E_RNA)
where:
Base-Base interactions energy: -1498.714
where: short stacking energy: -631.731
Base-Backbone interact. energy: -1.127
local terms energy: -658.539587
where:
bonds (distance) C4'-P energy: -125.847
bonds (distance) P-C4' energy: -122.789
flat angles C4'-P-C4' energy: -144.412
flat angles P-C4'-P energy: -81.094
tors. eta vs tors. theta energy: -184.398
Dist. restrs. and SS energy: 6.867 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -1927.887013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.887013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.792000 (E_RNA)
where:
Base-Base interactions energy: -1358.230
where: short stacking energy: -552.993
Base-Backbone interact. energy: 4.361
local terms energy: -594.922314
where:
bonds (distance) C4'-P energy: -103.415
bonds (distance) P-C4' energy: -129.534
flat angles C4'-P-C4' energy: -130.242
flat angles P-C4'-P energy: -83.874
tors. eta vs tors. theta energy: -147.857
Dist. restrs. and SS energy: 20.905 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -1845.781934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.781934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.914606 (E_RNA)
where:
Base-Base interactions energy: -1314.135
where: short stacking energy: -530.077
Base-Backbone interact. energy: 0.119
local terms energy: -547.899086
where:
bonds (distance) C4'-P energy: -109.179
bonds (distance) P-C4' energy: -105.311
flat angles C4'-P-C4' energy: -129.723
flat angles P-C4'-P energy: -67.897
tors. eta vs tors. theta energy: -135.789
Dist. restrs. and SS energy: 16.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -2639.574359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.574359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.751789 (E_RNA)
where:
Base-Base interactions energy: -1861.654
where: short stacking energy: -784.033
Base-Backbone interact. energy: -4.059
local terms energy: -779.039096
where:
bonds (distance) C4'-P energy: -128.042
bonds (distance) P-C4' energy: -144.343
flat angles C4'-P-C4' energy: -169.290
flat angles P-C4'-P energy: -102.690
tors. eta vs tors. theta energy: -234.674
Dist. restrs. and SS energy: 5.177 (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: 1
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -2606.052919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.052919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.003956 (E_RNA)
where:
Base-Base interactions energy: -1818.561
where: short stacking energy: -776.844
Base-Backbone interact. energy: -3.567
local terms energy: -792.876230
where:
bonds (distance) C4'-P energy: -144.047
bonds (distance) P-C4' energy: -135.974
flat angles C4'-P-C4' energy: -166.765
flat angles P-C4'-P energy: -114.845
tors. eta vs tors. theta energy: -231.246
Dist. restrs. and SS energy: 8.951 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -2533.798172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.798172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.741242 (E_RNA)
where:
Base-Base interactions energy: -1787.458
where: short stacking energy: -748.394
Base-Backbone interact. energy: -2.995
local terms energy: -748.287821
where:
bonds (distance) C4'-P energy: -140.530
bonds (distance) P-C4' energy: -116.482
flat angles C4'-P-C4' energy: -158.051
flat angles P-C4'-P energy: -110.855
tors. eta vs tors. theta energy: -222.369
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: 4, replica: 10
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -2505.717699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.717699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.676908 (E_RNA)
where:
Base-Base interactions energy: -1752.472
where: short stacking energy: -745.855
Base-Backbone interact. energy: 0.894
local terms energy: -758.098273
where:
bonds (distance) C4'-P energy: -125.507
bonds (distance) P-C4' energy: -143.638
flat angles C4'-P-C4' energy: -161.988
flat angles P-C4'-P energy: -103.112
tors. eta vs tors. theta energy: -223.854
Dist. restrs. and SS energy: 3.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -2419.968388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.968388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.554809 (E_RNA)
where:
Base-Base interactions energy: -1693.203
where: short stacking energy: -717.429
Base-Backbone interact. energy: -2.480
local terms energy: -735.871968
where:
bonds (distance) C4'-P energy: -141.926
bonds (distance) P-C4' energy: -133.497
flat angles C4'-P-C4' energy: -149.213
flat angles P-C4'-P energy: -100.210
tors. eta vs tors. theta energy: -211.026
Dist. restrs. and SS energy: 11.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -2298.558209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.558209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.011150 (E_RNA)
where:
Base-Base interactions energy: -1614.339
where: short stacking energy: -677.837
Base-Backbone interact. energy: 2.499
local terms energy: -702.171930
where:
bonds (distance) C4'-P energy: -134.800
bonds (distance) P-C4' energy: -119.277
flat angles C4'-P-C4' energy: -152.668
flat angles P-C4'-P energy: -104.881
tors. eta vs tors. theta energy: -190.545
Dist. restrs. and SS energy: 15.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -2209.134948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.134948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.491024 (E_RNA)
where:
Base-Base interactions energy: -1537.576
where: short stacking energy: -660.343
Base-Backbone interact. energy: -2.625
local terms energy: -677.290268
where:
bonds (distance) C4'-P energy: -132.276
bonds (distance) P-C4' energy: -106.590
flat angles C4'-P-C4' energy: -138.586
flat angles P-C4'-P energy: -109.873
tors. eta vs tors. theta energy: -189.965
Dist. restrs. and SS energy: 8.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -2083.668960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.668960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.017028 (E_RNA)
where:
Base-Base interactions energy: -1449.071
where: short stacking energy: -594.536
Base-Backbone interact. energy: -0.807
local terms energy: -647.139082
where:
bonds (distance) C4'-P energy: -111.969
bonds (distance) P-C4' energy: -120.985
flat angles C4'-P-C4' energy: -146.870
flat angles P-C4'-P energy: -89.017
tors. eta vs tors. theta energy: -178.298
Dist. restrs. and SS energy: 13.348 (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: 92
Temperature: 1.300000
Total energy: -1962.116513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.116513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.984514 (E_RNA)
where:
Base-Base interactions energy: -1377.416
where: short stacking energy: -551.074
Base-Backbone interact. energy: 1.974
local terms energy: -604.541805
where:
bonds (distance) C4'-P energy: -99.070
bonds (distance) P-C4' energy: -133.672
flat angles C4'-P-C4' energy: -138.209
flat angles P-C4'-P energy: -68.145
tors. eta vs tors. theta energy: -165.446
Dist. restrs. and SS energy: 17.868 (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: 4
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -1874.883717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.883717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.059219 (E_RNA)
where:
Base-Base interactions energy: -1356.590
where: short stacking energy: -561.895
Base-Backbone interact. energy: -1.791
local terms energy: -525.678324
where:
bonds (distance) C4'-P energy: -114.638
bonds (distance) P-C4' energy: -87.712
flat angles C4'-P-C4' energy: -102.504
flat angles P-C4'-P energy: -77.219
tors. eta vs tors. theta energy: -143.605
Dist. restrs. and SS energy: 9.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -2661.467585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.467585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.539837 (E_RNA)
where:
Base-Base interactions energy: -1850.195
where: short stacking energy: -773.610
Base-Backbone interact. energy: -5.156
local terms energy: -811.188650
where:
bonds (distance) C4'-P energy: -141.509
bonds (distance) P-C4' energy: -150.446
flat angles C4'-P-C4' energy: -168.367
flat angles P-C4'-P energy: -111.872
tors. eta vs tors. theta energy: -238.995
Dist. restrs. and SS energy: 5.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -2618.397372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.397372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.028897 (E_RNA)
where:
Base-Base interactions energy: -1813.427
where: short stacking energy: -758.315
Base-Backbone interact. energy: -2.154
local terms energy: -810.447491
where:
bonds (distance) C4'-P energy: -148.533
bonds (distance) P-C4' energy: -161.113
flat angles C4'-P-C4' energy: -158.733
flat angles P-C4'-P energy: -114.970
tors. eta vs tors. theta energy: -227.099
Dist. restrs. and SS energy: 7.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -2568.453379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.453379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.552207 (E_RNA)
where:
Base-Base interactions energy: -1830.099
where: short stacking energy: -758.143
Base-Backbone interact. energy: -0.589
local terms energy: -745.864375
where:
bonds (distance) C4'-P energy: -136.572
bonds (distance) P-C4' energy: -120.130
flat angles C4'-P-C4' energy: -157.627
flat angles P-C4'-P energy: -106.337
tors. eta vs tors. theta energy: -225.199
Dist. restrs. and SS energy: 8.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -2474.576120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.576120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.071397 (E_RNA)
where:
Base-Base interactions energy: -1727.178
where: short stacking energy: -746.050
Base-Backbone interact. energy: -3.940
local terms energy: -751.953728
where:
bonds (distance) C4'-P energy: -135.610
bonds (distance) P-C4' energy: -131.981
flat angles C4'-P-C4' energy: -155.115
flat angles P-C4'-P energy: -115.126
tors. eta vs tors. theta energy: -214.121
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: 5, replica: 7
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -2386.753602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.753602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.910749 (E_RNA)
where:
Base-Base interactions energy: -1670.474
where: short stacking energy: -699.180
Base-Backbone interact. energy: 1.546
local terms energy: -728.983466
where:
bonds (distance) C4'-P energy: -141.086
bonds (distance) P-C4' energy: -131.338
flat angles C4'-P-C4' energy: -146.856
flat angles P-C4'-P energy: -100.182
tors. eta vs tors. theta energy: -209.522
Dist. restrs. and SS energy: 11.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -2327.370146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.370146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.941411 (E_RNA)
where:
Base-Base interactions energy: -1634.895
where: short stacking energy: -668.339
Base-Backbone interact. energy: -0.855
local terms energy: -700.191844
where:
bonds (distance) C4'-P energy: -132.404
bonds (distance) P-C4' energy: -136.410
flat angles C4'-P-C4' energy: -141.423
flat angles P-C4'-P energy: -92.563
tors. eta vs tors. theta energy: -197.392
Dist. restrs. and SS energy: 8.571 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -2205.855147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.855147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.431700 (E_RNA)
where:
Base-Base interactions energy: -1541.023
where: short stacking energy: -673.755
Base-Backbone interact. energy: -0.204
local terms energy: -679.204858
where:
bonds (distance) C4'-P energy: -109.383
bonds (distance) P-C4' energy: -126.138
flat angles C4'-P-C4' energy: -148.197
flat angles P-C4'-P energy: -92.658
tors. eta vs tors. theta energy: -202.829
Dist. restrs. and SS energy: 14.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -2067.532025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.532025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.305141 (E_RNA)
where:
Base-Base interactions energy: -1476.936
where: short stacking energy: -610.020
Base-Backbone interact. energy: -0.535
local terms energy: -610.834336
where:
bonds (distance) C4'-P energy: -106.393
bonds (distance) P-C4' energy: -107.909
flat angles C4'-P-C4' energy: -134.537
flat angles P-C4'-P energy: -92.845
tors. eta vs tors. theta energy: -169.150
Dist. restrs. and SS energy: 20.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -2008.403807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.403807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.690559 (E_RNA)
where:
Base-Base interactions energy: -1421.500
where: short stacking energy: -603.529
Base-Backbone interact. energy: -2.899
local terms energy: -600.291871
where:
bonds (distance) C4'-P energy: -104.989
bonds (distance) P-C4' energy: -100.437
flat angles C4'-P-C4' energy: -140.020
flat angles P-C4'-P energy: -74.831
tors. eta vs tors. theta energy: -180.015
Dist. restrs. and SS energy: 16.287 (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: 4
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -1877.704296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.704296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.410167 (E_RNA)
where:
Base-Base interactions energy: -1354.200
where: short stacking energy: -546.969
Base-Backbone interact. energy: -1.018
local terms energy: -547.192207
where:
bonds (distance) C4'-P energy: -91.709
bonds (distance) P-C4' energy: -99.398
flat angles C4'-P-C4' energy: -127.384
flat angles P-C4'-P energy: -80.997
tors. eta vs tors. theta energy: -147.704
Dist. restrs. and SS energy: 24.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -2680.868082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.868082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.911231 (E_RNA)
where:
Base-Base interactions energy: -1883.770
where: short stacking energy: -791.519
Base-Backbone interact. energy: 5.157
local terms energy: -807.298013
where:
bonds (distance) C4'-P energy: -147.566
bonds (distance) P-C4' energy: -142.833
flat angles C4'-P-C4' energy: -161.373
flat angles P-C4'-P energy: -115.414
tors. eta vs tors. theta energy: -240.111
Dist. restrs. and SS energy: 5.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -2593.944005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.944005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.153140 (E_RNA)
where:
Base-Base interactions energy: -1812.443
where: short stacking energy: -757.998
Base-Backbone interact. energy: -3.661
local terms energy: -784.049879
where:
bonds (distance) C4'-P energy: -129.084
bonds (distance) P-C4' energy: -152.310
flat angles C4'-P-C4' energy: -160.702
flat angles P-C4'-P energy: -111.240
tors. eta vs tors. theta energy: -230.713
Dist. restrs. and SS energy: 6.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -2573.153165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.153165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.418448 (E_RNA)
where:
Base-Base interactions energy: -1820.344
where: short stacking energy: -779.829
Base-Backbone interact. energy: -3.306
local terms energy: -753.768334
where:
bonds (distance) C4'-P energy: -141.731
bonds (distance) P-C4' energy: -111.302
flat angles C4'-P-C4' energy: -156.881
flat angles P-C4'-P energy: -116.502
tors. eta vs tors. theta energy: -227.353
Dist. restrs. and SS energy: 4.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -2519.014203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.014203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.509941 (E_RNA)
where:
Base-Base interactions energy: -1782.645
where: short stacking energy: -749.670
Base-Backbone interact. energy: -0.832
local terms energy: -745.032820
where:
bonds (distance) C4'-P energy: -139.055
bonds (distance) P-C4' energy: -124.379
flat angles C4'-P-C4' energy: -165.687
flat angles P-C4'-P energy: -85.817
tors. eta vs tors. theta energy: -230.095
Dist. restrs. and SS energy: 9.496 (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: 7
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -2421.358701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.358701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.822110 (E_RNA)
where:
Base-Base interactions energy: -1701.863
where: short stacking energy: -721.337
Base-Backbone interact. energy: -1.090
local terms energy: -734.868655
where:
bonds (distance) C4'-P energy: -129.560
bonds (distance) P-C4' energy: -130.799
flat angles C4'-P-C4' energy: -155.925
flat angles P-C4'-P energy: -110.183
tors. eta vs tors. theta energy: -208.401
Dist. restrs. and SS energy: 16.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -2329.411909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.411909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.403300 (E_RNA)
where:
Base-Base interactions energy: -1637.978
where: short stacking energy: -687.694
Base-Backbone interact. energy: -2.712
local terms energy: -712.712850
where:
bonds (distance) C4'-P energy: -125.776
bonds (distance) P-C4' energy: -139.832
flat angles C4'-P-C4' energy: -151.109
flat angles P-C4'-P energy: -98.522
tors. eta vs tors. theta energy: -197.473
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: 7, replica: 3
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -2235.324234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.324234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.982863 (E_RNA)
where:
Base-Base interactions energy: -1599.352
where: short stacking energy: -666.851
Base-Backbone interact. energy: -2.014
local terms energy: -645.616657
where:
bonds (distance) C4'-P energy: -123.161
bonds (distance) P-C4' energy: -108.012
flat angles C4'-P-C4' energy: -135.211
flat angles P-C4'-P energy: -94.355
tors. eta vs tors. theta energy: -184.878
Dist. restrs. and SS energy: 11.659 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -2084.528444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.528444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.140790 (E_RNA)
where:
Base-Base interactions energy: -1467.890
where: short stacking energy: -600.704
Base-Backbone interact. energy: -0.164
local terms energy: -634.087389
where:
bonds (distance) C4'-P energy: -125.431
bonds (distance) P-C4' energy: -111.048
flat angles C4'-P-C4' energy: -144.347
flat angles P-C4'-P energy: -84.325
tors. eta vs tors. theta energy: -168.937
Dist. restrs. and SS energy: 17.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -1957.354060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.354060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.821611 (E_RNA)
where:
Base-Base interactions energy: -1366.048
where: short stacking energy: -549.302
Base-Backbone interact. energy: -5.534
local terms energy: -600.239972
where:
bonds (distance) C4'-P energy: -114.549
bonds (distance) P-C4' energy: -135.086
flat angles C4'-P-C4' energy: -119.855
flat angles P-C4'-P energy: -66.793
tors. eta vs tors. theta energy: -163.957
Dist. restrs. and SS energy: 14.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -1833.837832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.837832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.569769 (E_RNA)
where:
Base-Base interactions energy: -1303.586
where: short stacking energy: -546.925
Base-Backbone interact. energy: 1.233
local terms energy: -546.216302
where:
bonds (distance) C4'-P energy: -111.110
bonds (distance) P-C4' energy: -113.241
flat angles C4'-P-C4' energy: -122.002
flat angles P-C4'-P energy: -70.265
tors. eta vs tors. theta energy: -129.599
Dist. restrs. and SS energy: 14.732 (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: 1
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -2667.192357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.192357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.289310 (E_RNA)
where:
Base-Base interactions energy: -1875.826
where: short stacking energy: -796.928
Base-Backbone interact. energy: -4.148
local terms energy: -796.315259
where:
bonds (distance) C4'-P energy: -143.430
bonds (distance) P-C4' energy: -143.213
flat angles C4'-P-C4' energy: -161.303
flat angles P-C4'-P energy: -112.818
tors. eta vs tors. theta energy: -235.552
Dist. restrs. and SS energy: 9.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -2638.603018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.603018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.562173 (E_RNA)
where:
Base-Base interactions energy: -1833.426
where: short stacking energy: -770.364
Base-Backbone interact. energy: -2.539
local terms energy: -805.596993
where:
bonds (distance) C4'-P energy: -142.950
bonds (distance) P-C4' energy: -148.193
flat angles C4'-P-C4' energy: -170.147
flat angles P-C4'-P energy: -116.381
tors. eta vs tors. theta energy: -227.926
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: 3, replica: 2
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -2571.916860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.916860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.742509 (E_RNA)
where:
Base-Base interactions energy: -1809.738
where: short stacking energy: -752.067
Base-Backbone interact. energy: -1.813
local terms energy: -769.191168
where:
bonds (distance) C4'-P energy: -137.306
bonds (distance) P-C4' energy: -147.990
flat angles C4'-P-C4' energy: -158.706
flat angles P-C4'-P energy: -99.123
tors. eta vs tors. theta energy: -226.065
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: 4, replica: 10
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -2528.109390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.109390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.678264 (E_RNA)
where:
Base-Base interactions energy: -1760.653
where: short stacking energy: -756.320
Base-Backbone interact. energy: -3.148
local terms energy: -773.877248
where:
bonds (distance) C4'-P energy: -135.074
bonds (distance) P-C4' energy: -141.787
flat angles C4'-P-C4' energy: -166.567
flat angles P-C4'-P energy: -111.863
tors. eta vs tors. theta energy: -218.586
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: 5, replica: 7
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -2390.145922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.145922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.790771 (E_RNA)
where:
Base-Base interactions energy: -1690.127
where: short stacking energy: -712.129
Base-Backbone interact. energy: -5.098
local terms energy: -701.566444
where:
bonds (distance) C4'-P energy: -125.902
bonds (distance) P-C4' energy: -111.043
flat angles C4'-P-C4' energy: -150.047
flat angles P-C4'-P energy: -101.861
tors. eta vs tors. theta energy: -212.714
Dist. restrs. and SS energy: 6.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -2319.888524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.888524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.549491 (E_RNA)
where:
Base-Base interactions energy: -1619.417
where: short stacking energy: -703.279
Base-Backbone interact. energy: -2.036
local terms energy: -709.096892
where:
bonds (distance) C4'-P energy: -117.414
bonds (distance) P-C4' energy: -126.682
flat angles C4'-P-C4' energy: -167.017
flat angles P-C4'-P energy: -86.029
tors. eta vs tors. theta energy: -211.955
Dist. restrs. and SS energy: 10.661 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -2232.754456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.754456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.073438 (E_RNA)
where:
Base-Base interactions energy: -1562.579
where: short stacking energy: -656.864
Base-Backbone interact. energy: -4.618
local terms energy: -675.875843
where:
bonds (distance) C4'-P energy: -134.653
bonds (distance) P-C4' energy: -113.741
flat angles C4'-P-C4' energy: -146.373
flat angles P-C4'-P energy: -97.375
tors. eta vs tors. theta energy: -183.733
Dist. restrs. and SS energy: 10.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -2109.559663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.559663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.846478 (E_RNA)
where:
Base-Base interactions energy: -1482.520
where: short stacking energy: -619.303
Base-Backbone interact. energy: 0.824
local terms energy: -644.150559
where:
bonds (distance) C4'-P energy: -114.748
bonds (distance) P-C4' energy: -126.025
flat angles C4'-P-C4' energy: -128.939
flat angles P-C4'-P energy: -87.794
tors. eta vs tors. theta energy: -186.644
Dist. restrs. and SS energy: 16.287 (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: 6
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -1937.649118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.649118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.132026 (E_RNA)
where:
Base-Base interactions energy: -1351.776
where: short stacking energy: -561.031
Base-Backbone interact. energy: 5.455
local terms energy: -612.810491
where:
bonds (distance) C4'-P energy: -100.493
bonds (distance) P-C4' energy: -128.735
flat angles C4'-P-C4' energy: -133.878
flat angles P-C4'-P energy: -77.878
tors. eta vs tors. theta energy: -171.828
Dist. restrs. and SS energy: 21.483 (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: 4
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -1879.387300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.387300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.129535 (E_RNA)
where:
Base-Base interactions energy: -1354.151
where: short stacking energy: -544.134
Base-Backbone interact. energy: -2.282
local terms energy: -539.697048
where:
bonds (distance) C4'-P energy: -95.004
bonds (distance) P-C4' energy: -103.970
flat angles C4'-P-C4' energy: -118.084
flat angles P-C4'-P energy: -68.389
tors. eta vs tors. theta energy: -154.250
Dist. restrs. and SS energy: 16.742 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -2663.092669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.092669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.268732 (E_RNA)
where:
Base-Base interactions energy: -1858.423
where: short stacking energy: -787.943
Base-Backbone interact. energy: -2.866
local terms energy: -809.979322
where:
bonds (distance) C4'-P energy: -144.570
bonds (distance) P-C4' energy: -146.833
flat angles C4'-P-C4' energy: -165.157
flat angles P-C4'-P energy: -123.319
tors. eta vs tors. theta energy: -230.100
Dist. restrs. and SS energy: 8.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -2638.977360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.977360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.821976 (E_RNA)
where:
Base-Base interactions energy: -1848.231
where: short stacking energy: -786.993
Base-Backbone interact. energy: -0.276
local terms energy: -794.315438
where:
bonds (distance) C4'-P energy: -145.366
bonds (distance) P-C4' energy: -144.962
flat angles C4'-P-C4' energy: -159.305
flat angles P-C4'-P energy: -115.936
tors. eta vs tors. theta energy: -228.746
Dist. restrs. and SS energy: 3.845 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -2552.193692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.193692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.095841 (E_RNA)
where:
Base-Base interactions energy: -1788.432
where: short stacking energy: -743.300
Base-Backbone interact. energy: -3.592
local terms energy: -766.070992
where:
bonds (distance) C4'-P energy: -139.506
bonds (distance) P-C4' energy: -135.207
flat angles C4'-P-C4' energy: -157.001
flat angles P-C4'-P energy: -109.815
tors. eta vs tors. theta energy: -224.541
Dist. restrs. and SS energy: 5.902 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -2512.962660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.962660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.296578 (E_RNA)
where:
Base-Base interactions energy: -1771.305
where: short stacking energy: -751.612
Base-Backbone interact. energy: -1.661
local terms energy: -745.330198
where:
bonds (distance) C4'-P energy: -130.197
bonds (distance) P-C4' energy: -135.000
flat angles C4'-P-C4' energy: -156.847
flat angles P-C4'-P energy: -97.194
tors. eta vs tors. theta energy: -226.092
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: 5, replica: 7
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -2399.904728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.904728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.569885 (E_RNA)
where:
Base-Base interactions energy: -1674.691
where: short stacking energy: -694.515
Base-Backbone interact. energy: -1.481
local terms energy: -735.398206
where:
bonds (distance) C4'-P energy: -140.816
bonds (distance) P-C4' energy: -136.949
flat angles C4'-P-C4' energy: -154.946
flat angles P-C4'-P energy: -90.511
tors. eta vs tors. theta energy: -212.177
Dist. restrs. and SS energy: 11.665 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -2299.605301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.605301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.210049 (E_RNA)
where:
Base-Base interactions energy: -1598.374
where: short stacking energy: -684.203
Base-Backbone interact. energy: -0.811
local terms energy: -712.024951
where:
bonds (distance) C4'-P energy: -124.628
bonds (distance) P-C4' energy: -129.953
flat angles C4'-P-C4' energy: -158.128
flat angles P-C4'-P energy: -92.394
tors. eta vs tors. theta energy: -206.922
Dist. restrs. and SS energy: 11.605 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -2237.838873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.838873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.635840 (E_RNA)
where:
Base-Base interactions energy: -1578.061
where: short stacking energy: -675.214
Base-Backbone interact. energy: -1.674
local terms energy: -667.900821
where:
bonds (distance) C4'-P energy: -112.027
bonds (distance) P-C4' energy: -129.852
flat angles C4'-P-C4' energy: -135.740
flat angles P-C4'-P energy: -85.165
tors. eta vs tors. theta energy: -205.117
Dist. restrs. and SS energy: 9.797 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -2133.597330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.597330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.753363 (E_RNA)
where:
Base-Base interactions energy: -1500.130
where: short stacking energy: -632.082
Base-Backbone interact. energy: -1.908
local terms energy: -643.715674
where:
bonds (distance) C4'-P energy: -116.086
bonds (distance) P-C4' energy: -130.246
flat angles C4'-P-C4' energy: -125.963
flat angles P-C4'-P energy: -88.424
tors. eta vs tors. theta energy: -182.997
Dist. restrs. and SS energy: 12.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -1996.432941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.432941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.588729 (E_RNA)
where:
Base-Base interactions energy: -1389.029
where: short stacking energy: -567.307
Base-Backbone interact. energy: -4.769
local terms energy: -619.790849
where:
bonds (distance) C4'-P energy: -105.723
bonds (distance) P-C4' energy: -124.338
flat angles C4'-P-C4' energy: -144.246
flat angles P-C4'-P energy: -81.976
tors. eta vs tors. theta energy: -163.509
Dist. restrs. and SS energy: 17.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -1906.687862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.687862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.088283 (E_RNA)
where:
Base-Base interactions energy: -1352.869
where: short stacking energy: -554.039
Base-Backbone interact. energy: 2.447
local terms energy: -583.665954
where:
bonds (distance) C4'-P energy: -97.264
bonds (distance) P-C4' energy: -105.188
flat angles C4'-P-C4' energy: -131.279
flat angles P-C4'-P energy: -83.469
tors. eta vs tors. theta energy: -166.466
Dist. restrs. and SS energy: 27.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -2667.923353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.923353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.237592 (E_RNA)
where:
Base-Base interactions energy: -1892.929
where: short stacking energy: -801.470
Base-Backbone interact. energy: -2.745
local terms energy: -780.563727
where:
bonds (distance) C4'-P energy: -126.816
bonds (distance) P-C4' energy: -150.364
flat angles C4'-P-C4' energy: -147.029
flat angles P-C4'-P energy: -122.071
tors. eta vs tors. theta energy: -234.284
Dist. restrs. and SS energy: 8.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -2623.244544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.244544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.867377 (E_RNA)
where:
Base-Base interactions energy: -1841.487
where: short stacking energy: -793.671
Base-Backbone interact. energy: -4.414
local terms energy: -780.966226
where:
bonds (distance) C4'-P energy: -119.659
bonds (distance) P-C4' energy: -140.676
flat angles C4'-P-C4' energy: -170.935
flat angles P-C4'-P energy: -116.295
tors. eta vs tors. theta energy: -233.401
Dist. restrs. and SS energy: 3.623 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -2562.175356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.175356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.056455 (E_RNA)
where:
Base-Base interactions energy: -1816.141
where: short stacking energy: -775.445
Base-Backbone interact. energy: -2.164
local terms energy: -747.751451
where:
bonds (distance) C4'-P energy: -132.382
bonds (distance) P-C4' energy: -125.578
flat angles C4'-P-C4' energy: -162.360
flat angles P-C4'-P energy: -101.990
tors. eta vs tors. theta energy: -225.441
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: 4, replica: 10
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -2514.827924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.827924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.841733 (E_RNA)
where:
Base-Base interactions energy: -1753.802
where: short stacking energy: -753.625
Base-Backbone interact. energy: 1.506
local terms energy: -769.545559
where:
bonds (distance) C4'-P energy: -127.561
bonds (distance) P-C4' energy: -121.882
flat angles C4'-P-C4' energy: -168.812
flat angles P-C4'-P energy: -111.477
tors. eta vs tors. theta energy: -239.814
Dist. restrs. and SS energy: 7.014 (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: 7
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -2422.312679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.312679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.955586 (E_RNA)
where:
Base-Base interactions energy: -1712.786
where: short stacking energy: -735.622
Base-Backbone interact. energy: -3.014
local terms energy: -716.154803
where:
bonds (distance) C4'-P energy: -98.127
bonds (distance) P-C4' energy: -135.082
flat angles C4'-P-C4' energy: -158.287
flat angles P-C4'-P energy: -102.599
tors. eta vs tors. theta energy: -222.060
Dist. restrs. and SS energy: 9.643 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -2305.318512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.318512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.263097 (E_RNA)
where:
Base-Base interactions energy: -1644.660
where: short stacking energy: -697.543
Base-Backbone interact. energy: -3.875
local terms energy: -669.727825
where:
bonds (distance) C4'-P energy: -121.556
bonds (distance) P-C4' energy: -118.224
flat angles C4'-P-C4' energy: -141.037
flat angles P-C4'-P energy: -102.660
tors. eta vs tors. theta energy: -186.250
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: 7, replica: 3
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -2241.903101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.903101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.273483 (E_RNA)
where:
Base-Base interactions energy: -1588.578
where: short stacking energy: -681.505
Base-Backbone interact. energy: -0.949
local terms energy: -660.746866
where:
bonds (distance) C4'-P energy: -109.392
bonds (distance) P-C4' energy: -104.474
flat angles C4'-P-C4' energy: -146.472
flat angles P-C4'-P energy: -100.890
tors. eta vs tors. theta energy: -199.519
Dist. restrs. and SS energy: 8.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -2118.784194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.784194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.241052 (E_RNA)
where:
Base-Base interactions energy: -1488.432
where: short stacking energy: -621.340
Base-Backbone interact. energy: 0.227
local terms energy: -648.036263
where:
bonds (distance) C4'-P energy: -109.956
bonds (distance) P-C4' energy: -113.869
flat angles C4'-P-C4' energy: -152.257
flat angles P-C4'-P energy: -89.388
tors. eta vs tors. theta energy: -182.566
Dist. restrs. and SS energy: 17.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -1968.190079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.190079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.000558 (E_RNA)
where:
Base-Base interactions energy: -1402.179
where: short stacking energy: -585.612
Base-Backbone interact. energy: 4.371
local terms energy: -588.192788
where:
bonds (distance) C4'-P energy: -102.296
bonds (distance) P-C4' energy: -111.847
flat angles C4'-P-C4' energy: -124.919
flat angles P-C4'-P energy: -76.212
tors. eta vs tors. theta energy: -172.919
Dist. restrs. and SS energy: 17.810 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -1910.051452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.051452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.659104 (E_RNA)
where:
Base-Base interactions energy: -1364.581
where: short stacking energy: -550.622
Base-Backbone interact. energy: 2.901
local terms energy: -576.979380
where:
bonds (distance) C4'-P energy: -112.164
bonds (distance) P-C4' energy: -107.759
flat angles C4'-P-C4' energy: -116.801
flat angles P-C4'-P energy: -83.881
tors. eta vs tors. theta energy: -156.374
Dist. restrs. and SS energy: 28.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -2669.533569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.533569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.577994 (E_RNA)
where:
Base-Base interactions energy: -1882.482
where: short stacking energy: -810.036
Base-Backbone interact. energy: -1.628
local terms energy: -788.467371
where:
bonds (distance) C4'-P energy: -149.396
bonds (distance) P-C4' energy: -139.584
flat angles C4'-P-C4' energy: -160.370
flat angles P-C4'-P energy: -108.413
tors. eta vs tors. theta energy: -230.704
Dist. restrs. and SS energy: 3.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -2596.724698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.724698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.308616 (E_RNA)
where:
Base-Base interactions energy: -1779.286
where: short stacking energy: -758.827
Base-Backbone interact. energy: -2.136
local terms energy: -821.887031
where:
bonds (distance) C4'-P energy: -146.361
bonds (distance) P-C4' energy: -153.916
flat angles C4'-P-C4' energy: -171.493
flat angles P-C4'-P energy: -121.124
tors. eta vs tors. theta energy: -228.993
Dist. restrs. and SS energy: 6.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -2568.272583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.272583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.700413 (E_RNA)
where:
Base-Base interactions energy: -1807.818
where: short stacking energy: -744.811
Base-Backbone interact. energy: -2.765
local terms energy: -763.117456
where:
bonds (distance) C4'-P energy: -140.016
bonds (distance) P-C4' energy: -131.580
flat angles C4'-P-C4' energy: -163.569
flat angles P-C4'-P energy: -102.318
tors. eta vs tors. theta energy: -225.634
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: 4, replica: 10
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -2516.142440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.142440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.978851 (E_RNA)
where:
Base-Base interactions energy: -1779.917
where: short stacking energy: -756.308
Base-Backbone interact. energy: -3.271
local terms energy: -738.791126
where:
bonds (distance) C4'-P energy: -129.921
bonds (distance) P-C4' energy: -122.983
flat angles C4'-P-C4' energy: -153.706
flat angles P-C4'-P energy: -106.457
tors. eta vs tors. theta energy: -225.724
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: 5, replica: 7
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -2377.520951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.520951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.549677 (E_RNA)
where:
Base-Base interactions energy: -1675.439
where: short stacking energy: -697.183
Base-Backbone interact. energy: -0.928
local terms energy: -714.182465
where:
bonds (distance) C4'-P energy: -128.058
bonds (distance) P-C4' energy: -119.050
flat angles C4'-P-C4' energy: -157.890
flat angles P-C4'-P energy: -90.341
tors. eta vs tors. theta energy: -218.843
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: 6, replica: 9
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -2320.577171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.577171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.599446 (E_RNA)
where:
Base-Base interactions energy: -1640.864
where: short stacking energy: -686.693
Base-Backbone interact. energy: -2.047
local terms energy: -692.688522
where:
bonds (distance) C4'-P energy: -123.985
bonds (distance) P-C4' energy: -124.421
flat angles C4'-P-C4' energy: -137.316
flat angles P-C4'-P energy: -101.969
tors. eta vs tors. theta energy: -204.998
Dist. restrs. and SS energy: 15.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -2216.662579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.662579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.902527 (E_RNA)
where:
Base-Base interactions energy: -1518.088
where: short stacking energy: -610.639
Base-Backbone interact. energy: -1.778
local terms energy: -709.036471
where:
bonds (distance) C4'-P energy: -121.329
bonds (distance) P-C4' energy: -126.266
flat angles C4'-P-C4' energy: -158.042
flat angles P-C4'-P energy: -106.318
tors. eta vs tors. theta energy: -197.082
Dist. restrs. and SS energy: 12.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -2071.768002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.768002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.043827 (E_RNA)
where:
Base-Base interactions energy: -1438.958
where: short stacking energy: -622.208
Base-Backbone interact. energy: -3.202
local terms energy: -650.883594
where:
bonds (distance) C4'-P energy: -133.808
bonds (distance) P-C4' energy: -122.368
flat angles C4'-P-C4' energy: -140.574
flat angles P-C4'-P energy: -74.688
tors. eta vs tors. theta energy: -179.446
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: 9, replica: 6
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -2005.833939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.833939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.441954 (E_RNA)
where:
Base-Base interactions energy: -1405.668
where: short stacking energy: -584.392
Base-Backbone interact. energy: 5.211
local terms energy: -619.984411
where:
bonds (distance) C4'-P energy: -99.455
bonds (distance) P-C4' energy: -132.903
flat angles C4'-P-C4' energy: -134.061
flat angles P-C4'-P energy: -90.156
tors. eta vs tors. theta energy: -163.410
Dist. restrs. and SS energy: 14.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -1881.763245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.763245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.240811 (E_RNA)
where:
Base-Base interactions energy: -1312.983
where: short stacking energy: -539.903
Base-Backbone interact. energy: -4.595
local terms energy: -582.662740
where:
bonds (distance) C4'-P energy: -118.637
bonds (distance) P-C4' energy: -108.809
flat angles C4'-P-C4' energy: -138.849
flat angles P-C4'-P energy: -65.004
tors. eta vs tors. theta energy: -151.364
Dist. restrs. and SS energy: 18.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -2660.052871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.052871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.676834 (E_RNA)
where:
Base-Base interactions energy: -1878.605
where: short stacking energy: -801.621
Base-Backbone interact. energy: -3.773
local terms energy: -780.298812
where:
bonds (distance) C4'-P energy: -136.732
bonds (distance) P-C4' energy: -142.862
flat angles C4'-P-C4' energy: -153.705
flat angles P-C4'-P energy: -114.232
tors. eta vs tors. theta energy: -232.766
Dist. restrs. and SS energy: 2.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -2621.551526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.551526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.001090 (E_RNA)
where:
Base-Base interactions energy: -1807.232
where: short stacking energy: -770.303
Base-Backbone interact. energy: -3.438
local terms energy: -815.331498
where:
bonds (distance) C4'-P energy: -151.673
bonds (distance) P-C4' energy: -148.862
flat angles C4'-P-C4' energy: -170.735
flat angles P-C4'-P energy: -115.922
tors. eta vs tors. theta energy: -228.141
Dist. restrs. and SS energy: 4.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -2543.264803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.264803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.632659 (E_RNA)
where:
Base-Base interactions energy: -1801.837
where: short stacking energy: -785.666
Base-Backbone interact. energy: -3.184
local terms energy: -744.612397
where:
bonds (distance) C4'-P energy: -116.514
bonds (distance) P-C4' energy: -145.048
flat angles C4'-P-C4' energy: -157.668
flat angles P-C4'-P energy: -88.867
tors. eta vs tors. theta energy: -236.515
Dist. restrs. and SS energy: 6.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -2518.724618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.724618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.702843 (E_RNA)
where:
Base-Base interactions energy: -1744.613
where: short stacking energy: -720.852
Base-Backbone interact. energy: -2.251
local terms energy: -777.838578
where:
bonds (distance) C4'-P energy: -130.603
bonds (distance) P-C4' energy: -145.399
flat angles C4'-P-C4' energy: -169.481
flat angles P-C4'-P energy: -109.984
tors. eta vs tors. theta energy: -222.372
Dist. restrs. and SS energy: 5.978 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -2411.086120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.086120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.880126 (E_RNA)
where:
Base-Base interactions energy: -1717.660
where: short stacking energy: -727.623
Base-Backbone interact. energy: -2.958
local terms energy: -706.262646
where:
bonds (distance) C4'-P energy: -117.322
bonds (distance) P-C4' energy: -122.589
flat angles C4'-P-C4' energy: -142.084
flat angles P-C4'-P energy: -100.046
tors. eta vs tors. theta energy: -224.222
Dist. restrs. and SS energy: 15.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -2315.873452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.873452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.610462 (E_RNA)
where:
Base-Base interactions energy: -1620.756
where: short stacking energy: -694.357
Base-Backbone interact. energy: -4.755
local terms energy: -704.099873
where:
bonds (distance) C4'-P energy: -115.588
bonds (distance) P-C4' energy: -136.693
flat angles C4'-P-C4' energy: -156.330
flat angles P-C4'-P energy: -89.268
tors. eta vs tors. theta energy: -206.220
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: 7, replica: 3
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -2210.903890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.903890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.086970 (E_RNA)
where:
Base-Base interactions energy: -1552.863
where: short stacking energy: -647.083
Base-Backbone interact. energy: -2.144
local terms energy: -667.080409
where:
bonds (distance) C4'-P energy: -128.602
bonds (distance) P-C4' energy: -114.987
flat angles C4'-P-C4' energy: -153.026
flat angles P-C4'-P energy: -84.793
tors. eta vs tors. theta energy: -185.672
Dist. restrs. and SS energy: 11.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -2092.255996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.255996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.569220 (E_RNA)
where:
Base-Base interactions energy: -1506.151
where: short stacking energy: -634.652
Base-Backbone interact. energy: -0.946
local terms energy: -606.472570
where:
bonds (distance) C4'-P energy: -90.368
bonds (distance) P-C4' energy: -134.839
flat angles C4'-P-C4' energy: -138.002
flat angles P-C4'-P energy: -86.629
tors. eta vs tors. theta energy: -156.634
Dist. restrs. and SS energy: 21.313 (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: 6
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -1998.864278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.864278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.332248 (E_RNA)
where:
Base-Base interactions energy: -1404.652
where: short stacking energy: -603.697
Base-Backbone interact. energy: -1.626
local terms energy: -610.054328
where:
bonds (distance) C4'-P energy: -105.613
bonds (distance) P-C4' energy: -114.285
flat angles C4'-P-C4' energy: -141.028
flat angles P-C4'-P energy: -69.725
tors. eta vs tors. theta energy: -179.402
Dist. restrs. and SS energy: 17.468 (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: 4
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -1890.510478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.510478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.623376 (E_RNA)
where:
Base-Base interactions energy: -1332.250
where: short stacking energy: -556.141
Base-Backbone interact. energy: -4.724
local terms energy: -580.650065
where:
bonds (distance) C4'-P energy: -100.516
bonds (distance) P-C4' energy: -118.200
flat angles C4'-P-C4' energy: -123.083
flat angles P-C4'-P energy: -86.502
tors. eta vs tors. theta energy: -152.350
Dist. restrs. and SS energy: 27.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -2672.177746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.177746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.464678 (E_RNA)
where:
Base-Base interactions energy: -1861.182
where: short stacking energy: -811.889
Base-Backbone interact. energy: -1.725
local terms energy: -816.557641
where:
bonds (distance) C4'-P energy: -139.720
bonds (distance) P-C4' energy: -152.965
flat angles C4'-P-C4' energy: -169.623
flat angles P-C4'-P energy: -119.852
tors. eta vs tors. theta energy: -234.397
Dist. restrs. and SS energy: 7.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -2610.783080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.783080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.479252 (E_RNA)
where:
Base-Base interactions energy: -1824.474
where: short stacking energy: -772.836
Base-Backbone interact. energy: 1.895
local terms energy: -794.899913
where:
bonds (distance) C4'-P energy: -146.508
bonds (distance) P-C4' energy: -136.429
flat angles C4'-P-C4' energy: -167.029
flat angles P-C4'-P energy: -103.482
tors. eta vs tors. theta energy: -241.452
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: 3, replica: 1
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -2557.223798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.223798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.229320 (E_RNA)
where:
Base-Base interactions energy: -1807.100
where: short stacking energy: -796.784
Base-Backbone interact. energy: -1.493
local terms energy: -755.636978
where:
bonds (distance) C4'-P energy: -148.221
bonds (distance) P-C4' energy: -122.328
flat angles C4'-P-C4' energy: -157.428
flat angles P-C4'-P energy: -106.080
tors. eta vs tors. theta energy: -221.580
Dist. restrs. and SS energy: 7.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -2504.327862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.327862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.441624 (E_RNA)
where:
Base-Base interactions energy: -1753.341
where: short stacking energy: -749.764
Base-Backbone interact. energy: 0.545
local terms energy: -756.646253
where:
bonds (distance) C4'-P energy: -122.970
bonds (distance) P-C4' energy: -134.172
flat angles C4'-P-C4' energy: -153.984
flat angles P-C4'-P energy: -110.331
tors. eta vs tors. theta energy: -235.190
Dist. restrs. and SS energy: 5.114 (S_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: 100
Temperature: 1.100000
Total energy: -2421.301104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.301104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.264423 (E_RNA)
where:
Base-Base interactions energy: -1722.880
where: short stacking energy: -716.442
Base-Backbone interact. energy: -3.296
local terms energy: -709.088383
where:
bonds (distance) C4'-P energy: -128.326
bonds (distance) P-C4' energy: -140.387
flat angles C4'-P-C4' energy: -149.771
flat angles P-C4'-P energy: -77.907
tors. eta vs tors. theta energy: -212.697
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: 6, replica: 9
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -2287.886090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.886090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.726307 (E_RNA)
where:
Base-Base interactions energy: -1586.432
where: short stacking energy: -671.941
Base-Backbone interact. energy: -1.833
local terms energy: -712.460930
where:
bonds (distance) C4'-P energy: -131.138
bonds (distance) P-C4' energy: -134.064
flat angles C4'-P-C4' energy: -135.422
flat angles P-C4'-P energy: -91.739
tors. eta vs tors. theta energy: -220.098
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: 7, replica: 3
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -2208.840924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.840924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.780454 (E_RNA)
where:
Base-Base interactions energy: -1574.403
where: short stacking energy: -665.574
Base-Backbone interact. energy: -3.482
local terms energy: -641.895295
where:
bonds (distance) C4'-P energy: -100.964
bonds (distance) P-C4' energy: -127.263
flat angles C4'-P-C4' energy: -147.935
flat angles P-C4'-P energy: -70.327
tors. eta vs tors. theta energy: -195.407
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: 8, replica: 5
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -2089.441549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.441549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.767049 (E_RNA)
where:
Base-Base interactions energy: -1455.862
where: short stacking energy: -643.253
Base-Backbone interact. energy: -3.907
local terms energy: -640.998239
where:
bonds (distance) C4'-P energy: -122.835
bonds (distance) P-C4' energy: -125.553
flat angles C4'-P-C4' energy: -135.863
flat angles P-C4'-P energy: -84.939
tors. eta vs tors. theta energy: -171.809
Dist. restrs. and SS energy: 11.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -1975.837169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.837169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.446207 (E_RNA)
where:
Base-Base interactions energy: -1383.643
where: short stacking energy: -569.929
Base-Backbone interact. energy: -0.481
local terms energy: -609.321625
where:
bonds (distance) C4'-P energy: -117.451
bonds (distance) P-C4' energy: -119.898
flat angles C4'-P-C4' energy: -135.049
flat angles P-C4'-P energy: -72.569
tors. eta vs tors. theta energy: -164.354
Dist. restrs. and SS energy: 17.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -1909.114618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.114618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.947607 (E_RNA)
where:
Base-Base interactions energy: -1347.886
where: short stacking energy: -551.545
Base-Backbone interact. energy: -2.680
local terms energy: -581.381525
where:
bonds (distance) C4'-P energy: -98.310
bonds (distance) P-C4' energy: -125.273
flat angles C4'-P-C4' energy: -120.022
flat angles P-C4'-P energy: -74.588
tors. eta vs tors. theta energy: -163.188
Dist. restrs. and SS energy: 22.833 (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: 2
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -2648.096307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.096307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.890906 (E_RNA)
where:
Base-Base interactions energy: -1847.134
where: short stacking energy: -785.238
Base-Backbone interact. energy: -2.208
local terms energy: -804.548903
where:
bonds (distance) C4'-P energy: -151.737
bonds (distance) P-C4' energy: -154.873
flat angles C4'-P-C4' energy: -151.259
flat angles P-C4'-P energy: -118.228
tors. eta vs tors. theta energy: -228.452
Dist. restrs. and SS energy: 5.795 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -2636.681366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.681366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.924856 (E_RNA)
where:
Base-Base interactions energy: -1848.692
where: short stacking energy: -796.872
Base-Backbone interact. energy: 0.022
local terms energy: -792.254983
where:
bonds (distance) C4'-P energy: -143.673
bonds (distance) P-C4' energy: -127.537
flat angles C4'-P-C4' energy: -162.494
flat angles P-C4'-P energy: -121.256
tors. eta vs tors. theta energy: -237.295
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: 3, replica: 1
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -2546.590116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.590116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.169136 (E_RNA)
where:
Base-Base interactions energy: -1783.867
where: short stacking energy: -754.352
Base-Backbone interact. energy: -2.616
local terms energy: -767.685836
where:
bonds (distance) C4'-P energy: -143.375
bonds (distance) P-C4' energy: -136.827
flat angles C4'-P-C4' energy: -154.924
flat angles P-C4'-P energy: -110.101
tors. eta vs tors. theta energy: -222.459
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: 4, replica: 10
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -2519.650719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.650719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.641520 (E_RNA)
where:
Base-Base interactions energy: -1752.128
where: short stacking energy: -726.540
Base-Backbone interact. energy: -3.384
local terms energy: -768.129542
where:
bonds (distance) C4'-P energy: -132.247
bonds (distance) P-C4' energy: -136.287
flat angles C4'-P-C4' energy: -164.052
flat angles P-C4'-P energy: -115.142
tors. eta vs tors. theta energy: -220.402
Dist. restrs. and SS energy: 3.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -2395.528833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.528833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.981704 (E_RNA)
where:
Base-Base interactions energy: -1704.983
where: short stacking energy: -690.836
Base-Backbone interact. energy: 0.052
local terms energy: -704.050307
where:
bonds (distance) C4'-P energy: -140.963
bonds (distance) P-C4' energy: -129.087
flat angles C4'-P-C4' energy: -144.383
flat angles P-C4'-P energy: -95.336
tors. eta vs tors. theta energy: -194.282
Dist. restrs. and SS energy: 13.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -2334.433024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.433024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.537074 (E_RNA)
where:
Base-Base interactions energy: -1650.461
where: short stacking energy: -700.001
Base-Backbone interact. energy: -1.273
local terms energy: -701.802975
where:
bonds (distance) C4'-P energy: -111.449
bonds (distance) P-C4' energy: -136.012
flat angles C4'-P-C4' energy: -147.320
flat angles P-C4'-P energy: -93.228
tors. eta vs tors. theta energy: -213.794
Dist. restrs. and SS energy: 19.104 (S_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: 101
Temperature: 1.200000
Total energy: -2228.910620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.910620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.985979 (E_RNA)
where:
Base-Base interactions energy: -1595.299
where: short stacking energy: -653.620
Base-Backbone interact. energy: -4.795
local terms energy: -639.892310
where:
bonds (distance) C4'-P energy: -125.318
bonds (distance) P-C4' energy: -108.543
flat angles C4'-P-C4' energy: -128.395
flat angles P-C4'-P energy: -96.112
tors. eta vs tors. theta energy: -181.524
Dist. restrs. and SS energy: 11.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -2107.054919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.054919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.672554 (E_RNA)
where:
Base-Base interactions energy: -1485.436
where: short stacking energy: -611.836
Base-Backbone interact. energy: -4.301
local terms energy: -632.934982
where:
bonds (distance) C4'-P energy: -99.608
bonds (distance) P-C4' energy: -136.204
flat angles C4'-P-C4' energy: -136.072
flat angles P-C4'-P energy: -86.415
tors. eta vs tors. theta energy: -174.636
Dist. restrs. and SS energy: 15.618 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -2037.667758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.667758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.988516 (E_RNA)
where:
Base-Base interactions energy: -1407.327
where: short stacking energy: -592.768
Base-Backbone interact. energy: -3.004
local terms energy: -636.656987
where:
bonds (distance) C4'-P energy: -109.416
bonds (distance) P-C4' energy: -133.313
flat angles C4'-P-C4' energy: -148.287
flat angles P-C4'-P energy: -72.083
tors. eta vs tors. theta energy: -173.557
Dist. restrs. and SS energy: 9.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -1867.013609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.013609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.129913 (E_RNA)
where:
Base-Base interactions energy: -1324.973
where: short stacking energy: -522.514
Base-Backbone interact. energy: 2.189
local terms energy: -566.345700
where:
bonds (distance) C4'-P energy: -111.309
bonds (distance) P-C4' energy: -116.380
flat angles C4'-P-C4' energy: -128.294
flat angles P-C4'-P energy: -73.978
tors. eta vs tors. theta energy: -136.384
Dist. restrs. and SS energy: 22.116 (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: 8
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -2702.623523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.623523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.582656 (E_RNA)
where:
Base-Base interactions energy: -1877.650
where: short stacking energy: -797.585
Base-Backbone interact. energy: -3.448
local terms energy: -825.484256
where:
bonds (distance) C4'-P energy: -146.519
bonds (distance) P-C4' energy: -151.926
flat angles C4'-P-C4' energy: -167.754
flat angles P-C4'-P energy: -119.511
tors. eta vs tors. theta energy: -239.774
Dist. restrs. and SS energy: 3.959 (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: 2
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -2627.039530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.039530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.529794 (E_RNA)
where:
Base-Base interactions energy: -1827.276
where: short stacking energy: -783.862
Base-Backbone interact. energy: -2.003
local terms energy: -805.249945
where:
bonds (distance) C4'-P energy: -131.671
bonds (distance) P-C4' energy: -155.952
flat angles C4'-P-C4' energy: -179.084
flat angles P-C4'-P energy: -105.999
tors. eta vs tors. theta energy: -232.545
Dist. restrs. and SS energy: 7.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -2573.327327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.327327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.796008 (E_RNA)
where:
Base-Base interactions energy: -1800.148
where: short stacking energy: -742.562
Base-Backbone interact. energy: -0.745
local terms energy: -775.903837
where:
bonds (distance) C4'-P energy: -146.366
bonds (distance) P-C4' energy: -136.618
flat angles C4'-P-C4' energy: -159.364
flat angles P-C4'-P energy: -109.612
tors. eta vs tors. theta energy: -223.945
Dist. restrs. and SS energy: 3.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -2510.472377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.472377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.270520 (E_RNA)
where:
Base-Base interactions energy: -1721.973
where: short stacking energy: -746.871
Base-Backbone interact. energy: -1.899
local terms energy: -791.398654
where:
bonds (distance) C4'-P energy: -135.820
bonds (distance) P-C4' energy: -140.354
flat angles C4'-P-C4' energy: -167.666
flat angles P-C4'-P energy: -116.445
tors. eta vs tors. theta energy: -231.113
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: 5, replica: 7
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -2424.671121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.671121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.314134 (E_RNA)
where:
Base-Base interactions energy: -1724.255
where: short stacking energy: -716.157
Base-Backbone interact. energy: 0.056
local terms energy: -711.115251
where:
bonds (distance) C4'-P energy: -122.611
bonds (distance) P-C4' energy: -135.919
flat angles C4'-P-C4' energy: -157.260
flat angles P-C4'-P energy: -81.964
tors. eta vs tors. theta energy: -213.363
Dist. restrs. and SS energy: 10.643 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -2334.166326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.166326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.172248 (E_RNA)
where:
Base-Base interactions energy: -1623.896
where: short stacking energy: -697.889
Base-Backbone interact. energy: -1.140
local terms energy: -729.136116
where:
bonds (distance) C4'-P energy: -122.288
bonds (distance) P-C4' energy: -136.637
flat angles C4'-P-C4' energy: -151.993
flat angles P-C4'-P energy: -105.739
tors. eta vs tors. theta energy: -212.479
Dist. restrs. and SS energy: 20.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -2227.192704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.192704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.803906 (E_RNA)
where:
Base-Base interactions energy: -1579.374
where: short stacking energy: -680.661
Base-Backbone interact. energy: -2.632
local terms energy: -657.797530
where:
bonds (distance) C4'-P energy: -92.475
bonds (distance) P-C4' energy: -134.905
flat angles C4'-P-C4' energy: -146.878
flat angles P-C4'-P energy: -91.207
tors. eta vs tors. theta energy: -192.332
Dist. restrs. and SS energy: 12.611 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -2109.071920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.071920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.699918 (E_RNA)
where:
Base-Base interactions energy: -1468.054
where: short stacking energy: -615.931
Base-Backbone interact. energy: -1.326
local terms energy: -651.319503
where:
bonds (distance) C4'-P energy: -117.753
bonds (distance) P-C4' energy: -118.992
flat angles C4'-P-C4' energy: -139.784
flat angles P-C4'-P energy: -95.185
tors. eta vs tors. theta energy: -179.606
Dist. restrs. and SS energy: 11.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -2009.061722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.061722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.896161 (E_RNA)
where:
Base-Base interactions energy: -1430.701
where: short stacking energy: -602.011
Base-Backbone interact. energy: 1.028
local terms energy: -597.223076
where:
bonds (distance) C4'-P energy: -111.152
bonds (distance) P-C4' energy: -104.732
flat angles C4'-P-C4' energy: -140.340
flat angles P-C4'-P energy: -69.828
tors. eta vs tors. theta energy: -171.171
Dist. restrs. and SS energy: 17.834 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -1811.872667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.872667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.759713 (E_RNA)
where:
Base-Base interactions energy: -1306.025
where: short stacking energy: -529.385
Base-Backbone interact. energy: 4.059
local terms energy: -534.792978
where:
bonds (distance) C4'-P energy: -92.361
bonds (distance) P-C4' energy: -108.991
flat angles C4'-P-C4' energy: -112.087
flat angles P-C4'-P energy: -88.786
tors. eta vs tors. theta energy: -132.568
Dist. restrs. and SS energy: 24.887 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -2701.710440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.710440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.045524 (E_RNA)
where:
Base-Base interactions energy: -1899.074
where: short stacking energy: -780.660
Base-Backbone interact. energy: -3.780
local terms energy: -804.191230
where:
bonds (distance) C4'-P energy: -134.069
bonds (distance) P-C4' energy: -143.940
flat angles C4'-P-C4' energy: -165.774
flat angles P-C4'-P energy: -117.648
tors. eta vs tors. theta energy: -242.760
Dist. restrs. and SS energy: 5.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -2621.047582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.047582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.427697 (E_RNA)
where:
Base-Base interactions energy: -1843.173
where: short stacking energy: -775.670
Base-Backbone interact. energy: -1.204
local terms energy: -783.051124
where:
bonds (distance) C4'-P energy: -131.497
bonds (distance) P-C4' energy: -133.584
flat angles C4'-P-C4' energy: -163.369
flat angles P-C4'-P energy: -119.906
tors. eta vs tors. theta energy: -234.695
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: 3, replica: 10
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -2572.443344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.443344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.418205 (E_RNA)
where:
Base-Base interactions energy: -1832.354
where: short stacking energy: -797.150
Base-Backbone interact. energy: -0.826
local terms energy: -745.238409
where:
bonds (distance) C4'-P energy: -112.066
bonds (distance) P-C4' energy: -131.330
flat angles C4'-P-C4' energy: -157.594
flat angles P-C4'-P energy: -104.227
tors. eta vs tors. theta energy: -240.020
Dist. restrs. and SS energy: 5.975 (S_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: 103
Temperature: 1.050000
Total energy: -2517.501740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.501740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.078977 (E_RNA)
where:
Base-Base interactions energy: -1772.971
where: short stacking energy: -746.635
Base-Backbone interact. energy: -0.808
local terms energy: -747.299425
where:
bonds (distance) C4'-P energy: -133.915
bonds (distance) P-C4' energy: -138.511
flat angles C4'-P-C4' energy: -154.554
flat angles P-C4'-P energy: -94.250
tors. eta vs tors. theta energy: -226.069
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: 5, replica: 7
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -2341.102264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.102264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.563325 (E_RNA)
where:
Base-Base interactions energy: -1668.761
where: short stacking energy: -687.952
Base-Backbone interact. energy: -0.648
local terms energy: -685.154692
where:
bonds (distance) C4'-P energy: -126.857
bonds (distance) P-C4' energy: -125.925
flat angles C4'-P-C4' energy: -139.757
flat angles P-C4'-P energy: -89.207
tors. eta vs tors. theta energy: -203.409
Dist. restrs. and SS energy: 13.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -2314.314788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.314788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.890635 (E_RNA)
where:
Base-Base interactions energy: -1638.917
where: short stacking energy: -703.443
Base-Backbone interact. energy: -0.620
local terms energy: -683.353804
where:
bonds (distance) C4'-P energy: -133.037
bonds (distance) P-C4' energy: -122.707
flat angles C4'-P-C4' energy: -133.460
flat angles P-C4'-P energy: -92.258
tors. eta vs tors. theta energy: -201.892
Dist. restrs. and SS energy: 8.576 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -2260.362745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.362745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.202299 (E_RNA)
where:
Base-Base interactions energy: -1598.322
where: short stacking energy: -680.872
Base-Backbone interact. energy: 3.594
local terms energy: -685.474329
where:
bonds (distance) C4'-P energy: -123.575
bonds (distance) P-C4' energy: -130.107
flat angles C4'-P-C4' energy: -153.875
flat angles P-C4'-P energy: -72.543
tors. eta vs tors. theta energy: -205.375
Dist. restrs. and SS energy: 19.840 (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: 5
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -2105.911717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.911717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.122461 (E_RNA)
where:
Base-Base interactions energy: -1508.168
where: short stacking energy: -627.950
Base-Backbone interact. energy: -1.107
local terms energy: -609.848288
where:
bonds (distance) C4'-P energy: -104.168
bonds (distance) P-C4' energy: -105.259
flat angles C4'-P-C4' energy: -137.687
flat angles P-C4'-P energy: -91.630
tors. eta vs tors. theta energy: -171.105
Dist. restrs. and SS energy: 13.211 (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: 6
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -1987.427167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.427167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.219539 (E_RNA)
where:
Base-Base interactions energy: -1393.474
where: short stacking energy: -589.586
Base-Backbone interact. energy: -3.157
local terms energy: -610.589207
where:
bonds (distance) C4'-P energy: -107.589
bonds (distance) P-C4' energy: -117.379
flat angles C4'-P-C4' energy: -142.361
flat angles P-C4'-P energy: -76.300
tors. eta vs tors. theta energy: -166.960
Dist. restrs. and SS energy: 19.792 (S_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: -1813.650406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.650406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.728974 (E_RNA)
where:
Base-Base interactions energy: -1320.349
where: short stacking energy: -545.574
Base-Backbone interact. energy: -2.930
local terms energy: -524.450196
where:
bonds (distance) C4'-P energy: -103.155
bonds (distance) P-C4' energy: -101.127
flat angles C4'-P-C4' energy: -114.372
flat angles P-C4'-P energy: -72.910
tors. eta vs tors. theta energy: -132.886
Dist. restrs. and SS energy: 34.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -2712.698221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.698221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.682652 (E_RNA)
where:
Base-Base interactions energy: -1914.371
where: short stacking energy: -787.933
Base-Backbone interact. energy: -3.701
local terms energy: -798.610689
where:
bonds (distance) C4'-P energy: -137.442
bonds (distance) P-C4' energy: -154.624
flat angles C4'-P-C4' energy: -167.930
flat angles P-C4'-P energy: -103.648
tors. eta vs tors. theta energy: -234.966
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: 2
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -2629.686647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.686647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.051921 (E_RNA)
where:
Base-Base interactions energy: -1832.276
where: short stacking energy: -789.547
Base-Backbone interact. energy: -1.702
local terms energy: -803.073821
where:
bonds (distance) C4'-P energy: -135.640
bonds (distance) P-C4' energy: -154.800
flat angles C4'-P-C4' energy: -173.796
flat angles P-C4'-P energy: -105.604
tors. eta vs tors. theta energy: -233.234
Dist. restrs. and SS energy: 7.365 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -2590.980441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.980441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.621367 (E_RNA)
where:
Base-Base interactions energy: -1811.824
where: short stacking energy: -756.395
Base-Backbone interact. energy: -3.159
local terms energy: -778.637506
where:
bonds (distance) C4'-P energy: -133.743
bonds (distance) P-C4' energy: -128.573
flat angles C4'-P-C4' energy: -167.408
flat angles P-C4'-P energy: -124.108
tors. eta vs tors. theta energy: -224.806
Dist. restrs. and SS energy: 2.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -2477.666548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.666548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.923999 (E_RNA)
where:
Base-Base interactions energy: -1734.777
where: short stacking energy: -729.436
Base-Backbone interact. energy: -1.543
local terms energy: -750.603938
where:
bonds (distance) C4'-P energy: -131.157
bonds (distance) P-C4' energy: -134.785
flat angles C4'-P-C4' energy: -157.082
flat angles P-C4'-P energy: -106.140
tors. eta vs tors. theta energy: -221.440
Dist. restrs. and SS energy: 9.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -2366.584242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.584242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.855102 (E_RNA)
where:
Base-Base interactions energy: -1663.430
where: short stacking energy: -695.531
Base-Backbone interact. energy: -2.826
local terms energy: -711.598765
where:
bonds (distance) C4'-P energy: -129.067
bonds (distance) P-C4' energy: -141.610
flat angles C4'-P-C4' energy: -147.604
flat angles P-C4'-P energy: -92.398
tors. eta vs tors. theta energy: -200.920
Dist. restrs. and SS energy: 11.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -2267.932199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.932199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.845683 (E_RNA)
where:
Base-Base interactions energy: -1584.112
where: short stacking energy: -683.789
Base-Backbone interact. energy: -0.199
local terms energy: -700.534067
where:
bonds (distance) C4'-P energy: -121.705
bonds (distance) P-C4' energy: -137.357
flat angles C4'-P-C4' energy: -135.559
flat angles P-C4'-P energy: -104.895
tors. eta vs tors. theta energy: -201.019
Dist. restrs. and SS energy: 16.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -2258.371614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.371614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.015667 (E_RNA)
where:
Base-Base interactions energy: -1578.706
where: short stacking energy: -654.273
Base-Backbone interact. energy: 2.846
local terms energy: -693.155041
where:
bonds (distance) C4'-P energy: -116.704
bonds (distance) P-C4' energy: -125.656
flat angles C4'-P-C4' energy: -146.986
flat angles P-C4'-P energy: -95.685
tors. eta vs tors. theta energy: -208.123
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: 5
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -2084.028631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.028631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.262172 (E_RNA)
where:
Base-Base interactions energy: -1477.182
where: short stacking energy: -628.704
Base-Backbone interact. energy: -2.226
local terms energy: -617.854588
where:
bonds (distance) C4'-P energy: -107.510
bonds (distance) P-C4' energy: -130.513
flat angles C4'-P-C4' energy: -128.377
flat angles P-C4'-P energy: -79.512
tors. eta vs tors. theta energy: -171.943
Dist. restrs. and SS energy: 13.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -1996.158146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.158146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.923057 (E_RNA)
where:
Base-Base interactions energy: -1426.569
where: short stacking energy: -591.272
Base-Backbone interact. energy: -1.113
local terms energy: -594.240846
where:
bonds (distance) C4'-P energy: -103.909
bonds (distance) P-C4' energy: -114.921
flat angles C4'-P-C4' energy: -132.543
flat angles P-C4'-P energy: -77.261
tors. eta vs tors. theta energy: -165.607
Dist. restrs. and SS energy: 25.765 (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: 4
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -1851.163847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.163847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.822393 (E_RNA)
where:
Base-Base interactions energy: -1305.178
where: short stacking energy: -530.569
Base-Backbone interact. energy: 4.198
local terms energy: -565.841942
where:
bonds (distance) C4'-P energy: -122.677
bonds (distance) P-C4' energy: -115.715
flat angles C4'-P-C4' energy: -117.776
flat angles P-C4'-P energy: -79.811
tors. eta vs tors. theta energy: -129.863
Dist. restrs. and SS energy: 15.659 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -2684.408554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.408554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.051573 (E_RNA)
where:
Base-Base interactions energy: -1865.108
where: short stacking energy: -785.838
Base-Backbone interact. energy: -3.852
local terms energy: -822.091954
where:
bonds (distance) C4'-P energy: -145.773
bonds (distance) P-C4' energy: -148.187
flat angles C4'-P-C4' energy: -170.703
flat angles P-C4'-P energy: -120.465
tors. eta vs tors. theta energy: -236.964
Dist. restrs. and SS energy: 6.643 (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: 105
Temperature: 0.950000
Total energy: -2600.476081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.476081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.969432 (E_RNA)
where:
Base-Base interactions energy: -1814.498
where: short stacking energy: -775.677
Base-Backbone interact. energy: -1.261
local terms energy: -792.210789
where:
bonds (distance) C4'-P energy: -138.927
bonds (distance) P-C4' energy: -138.181
flat angles C4'-P-C4' energy: -166.110
flat angles P-C4'-P energy: -115.154
tors. eta vs tors. theta energy: -233.840
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: 3, replica: 10
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -2626.821521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.821521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.205688 (E_RNA)
where:
Base-Base interactions energy: -1822.340
where: short stacking energy: -772.566
Base-Backbone interact. energy: -3.717
local terms energy: -806.148756
where:
bonds (distance) C4'-P energy: -138.577
bonds (distance) P-C4' energy: -156.733
flat angles C4'-P-C4' energy: -163.174
flat angles P-C4'-P energy: -113.967
tors. eta vs tors. theta energy: -233.699
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: 105
Temperature: 1.050000
Total energy: -2484.612827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.612827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.726601 (E_RNA)
where:
Base-Base interactions energy: -1740.262
where: short stacking energy: -725.307
Base-Backbone interact. energy: -1.472
local terms energy: -746.993425
where:
bonds (distance) C4'-P energy: -141.270
bonds (distance) P-C4' energy: -148.867
flat angles C4'-P-C4' energy: -151.327
flat angles P-C4'-P energy: -93.494
tors. eta vs tors. theta energy: -212.035
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: 5, replica: 7
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -2364.039942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.039942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.819656 (E_RNA)
where:
Base-Base interactions energy: -1664.623
where: short stacking energy: -696.347
Base-Backbone interact. energy: -1.286
local terms energy: -712.910898
where:
bonds (distance) C4'-P energy: -113.730
bonds (distance) P-C4' energy: -132.130
flat angles C4'-P-C4' energy: -152.280
flat angles P-C4'-P energy: -109.061
tors. eta vs tors. theta energy: -205.709
Dist. restrs. and SS energy: 14.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -2269.646494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.646494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.757629 (E_RNA)
where:
Base-Base interactions energy: -1574.678
where: short stacking energy: -645.523
Base-Backbone interact. energy: -0.555
local terms energy: -704.524654
where:
bonds (distance) C4'-P energy: -125.354
bonds (distance) P-C4' energy: -143.993
flat angles C4'-P-C4' energy: -138.852
flat angles P-C4'-P energy: -94.058
tors. eta vs tors. theta energy: -202.267
Dist. restrs. and SS energy: 10.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -2207.622288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.622288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.859225 (E_RNA)
where:
Base-Base interactions energy: -1561.189
where: short stacking energy: -628.632
Base-Backbone interact. energy: -1.786
local terms energy: -657.884289
where:
bonds (distance) C4'-P energy: -111.307
bonds (distance) P-C4' energy: -132.299
flat angles C4'-P-C4' energy: -142.767
flat angles P-C4'-P energy: -84.644
tors. eta vs tors. theta energy: -186.867
Dist. restrs. and SS energy: 13.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -2050.636362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.636362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.845108 (E_RNA)
where:
Base-Base interactions energy: -1439.603
where: short stacking energy: -595.126
Base-Backbone interact. energy: -0.198
local terms energy: -634.044554
where:
bonds (distance) C4'-P energy: -101.293
bonds (distance) P-C4' energy: -120.461
flat angles C4'-P-C4' energy: -133.199
flat angles P-C4'-P energy: -94.143
tors. eta vs tors. theta energy: -184.949
Dist. restrs. and SS energy: 23.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -2007.591273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.591273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.016432 (E_RNA)
where:
Base-Base interactions energy: -1406.575
where: short stacking energy: -580.717
Base-Backbone interact. energy: -1.113
local terms energy: -619.328386
where:
bonds (distance) C4'-P energy: -119.979
bonds (distance) P-C4' energy: -119.911
flat angles C4'-P-C4' energy: -152.757
flat angles P-C4'-P energy: -71.031
tors. eta vs tors. theta energy: -155.649
Dist. restrs. and SS energy: 19.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -1865.500700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.500700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.710979 (E_RNA)
where:
Base-Base interactions energy: -1340.643
where: short stacking energy: -516.170
Base-Backbone interact. energy: 1.490
local terms energy: -540.557637
where:
bonds (distance) C4'-P energy: -113.848
bonds (distance) P-C4' energy: -133.525
flat angles C4'-P-C4' energy: -95.579
flat angles P-C4'-P energy: -62.000
tors. eta vs tors. theta energy: -135.605
Dist. restrs. and SS energy: 14.210 (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: 8
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -2678.787378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.787378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.601846 (E_RNA)
where:
Base-Base interactions energy: -1856.655
where: short stacking energy: -812.010
Base-Backbone interact. energy: -4.974
local terms energy: -823.972786
where:
bonds (distance) C4'-P energy: -145.116
bonds (distance) P-C4' energy: -153.843
flat angles C4'-P-C4' energy: -175.301
flat angles P-C4'-P energy: -107.708
tors. eta vs tors. theta energy: -242.005
Dist. restrs. and SS energy: 6.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -2632.823561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.823561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.280860 (E_RNA)
where:
Base-Base interactions energy: -1840.171
where: short stacking energy: -776.278
Base-Backbone interact. energy: -2.645
local terms energy: -795.464808
where:
bonds (distance) C4'-P energy: -146.960
bonds (distance) P-C4' energy: -140.179
flat angles C4'-P-C4' energy: -162.152
flat angles P-C4'-P energy: -117.211
tors. eta vs tors. theta energy: -228.962
Dist. restrs. and SS energy: 5.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -2569.293568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.293568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.724660 (E_RNA)
where:
Base-Base interactions energy: -1817.710
where: short stacking energy: -760.990
Base-Backbone interact. energy: -2.789
local terms energy: -755.225904
where:
bonds (distance) C4'-P energy: -123.170
bonds (distance) P-C4' energy: -125.319
flat angles C4'-P-C4' energy: -158.494
flat angles P-C4'-P energy: -120.574
tors. eta vs tors. theta energy: -227.668
Dist. restrs. and SS energy: 6.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -2462.320613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.320613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.474883 (E_RNA)
where:
Base-Base interactions energy: -1739.262
where: short stacking energy: -726.480
Base-Backbone interact. energy: -1.688
local terms energy: -728.525103
where:
bonds (distance) C4'-P energy: -132.750
bonds (distance) P-C4' energy: -122.058
flat angles C4'-P-C4' energy: -151.156
flat angles P-C4'-P energy: -101.470
tors. eta vs tors. theta energy: -221.091
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: 5, replica: 9
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -2358.739912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.739912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.918247 (E_RNA)
where:
Base-Base interactions energy: -1650.754
where: short stacking energy: -691.763
Base-Backbone interact. energy: -1.140
local terms energy: -722.024348
where:
bonds (distance) C4'-P energy: -131.589
bonds (distance) P-C4' energy: -133.734
flat angles C4'-P-C4' energy: -150.875
flat angles P-C4'-P energy: -113.293
tors. eta vs tors. theta energy: -192.534
Dist. restrs. and SS energy: 15.178 (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: 7
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -2286.398898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.398898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.559880 (E_RNA)
where:
Base-Base interactions energy: -1628.952
where: short stacking energy: -684.550
Base-Backbone interact. energy: -2.420
local terms energy: -667.188266
where:
bonds (distance) C4'-P energy: -115.375
bonds (distance) P-C4' energy: -112.020
flat angles C4'-P-C4' energy: -141.659
flat angles P-C4'-P energy: -102.754
tors. eta vs tors. theta energy: -195.380
Dist. restrs. and SS energy: 12.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -2209.641313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.641313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.556529 (E_RNA)
where:
Base-Base interactions energy: -1545.884
where: short stacking energy: -631.154
Base-Backbone interact. energy: -2.143
local terms energy: -673.529186
where:
bonds (distance) C4'-P energy: -103.667
bonds (distance) P-C4' energy: -138.283
flat angles C4'-P-C4' energy: -154.872
flat angles P-C4'-P energy: -98.148
tors. eta vs tors. theta energy: -178.559
Dist. restrs. and SS energy: 11.915 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -2141.192048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.192048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.609991 (E_RNA)
where:
Base-Base interactions energy: -1512.816
where: short stacking energy: -630.096
Base-Backbone interact. energy: 0.554
local terms energy: -646.348535
where:
bonds (distance) C4'-P energy: -126.477
bonds (distance) P-C4' energy: -131.458
flat angles C4'-P-C4' energy: -138.575
flat angles P-C4'-P energy: -82.661
tors. eta vs tors. theta energy: -167.178
Dist. restrs. and SS energy: 17.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -1988.545020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.545020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.566011 (E_RNA)
where:
Base-Base interactions energy: -1401.770
where: short stacking energy: -582.777
Base-Backbone interact. energy: -1.657
local terms energy: -608.138672
where:
bonds (distance) C4'-P energy: -109.749
bonds (distance) P-C4' energy: -116.425
flat angles C4'-P-C4' energy: -138.330
flat angles P-C4'-P energy: -81.072
tors. eta vs tors. theta energy: -162.563
Dist. restrs. and SS energy: 23.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -1892.972386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.972386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.820862 (E_RNA)
where:
Base-Base interactions energy: -1324.771
where: short stacking energy: -523.463
Base-Backbone interact. energy: 5.035
local terms energy: -595.084719
where:
bonds (distance) C4'-P energy: -111.337
bonds (distance) P-C4' energy: -129.625
flat angles C4'-P-C4' energy: -126.058
flat angles P-C4'-P energy: -82.262
tors. eta vs tors. theta energy: -145.803
Dist. restrs. and SS energy: 21.848 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -2713.258943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.258943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.733237 (E_RNA)
where:
Base-Base interactions energy: -1884.280
where: short stacking energy: -807.359
Base-Backbone interact. energy: -3.821
local terms energy: -830.632518
where:
bonds (distance) C4'-P energy: -140.927
bonds (distance) P-C4' energy: -159.835
flat angles C4'-P-C4' energy: -159.932
flat angles P-C4'-P energy: -123.570
tors. eta vs tors. theta energy: -246.368
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: 2, replica: 2
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -2618.008750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.008750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.126912 (E_RNA)
where:
Base-Base interactions energy: -1850.646
where: short stacking energy: -780.907
Base-Backbone interact. energy: -1.983
local terms energy: -777.498055
where:
bonds (distance) C4'-P energy: -120.226
bonds (distance) P-C4' energy: -137.498
flat angles C4'-P-C4' energy: -165.681
flat angles P-C4'-P energy: -115.856
tors. eta vs tors. theta energy: -238.238
Dist. restrs. and SS energy: 12.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -2589.240364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.240364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.932641 (E_RNA)
where:
Base-Base interactions energy: -1816.484
where: short stacking energy: -773.910
Base-Backbone interact. energy: -1.777
local terms energy: -773.672191
where:
bonds (distance) C4'-P energy: -133.099
bonds (distance) P-C4' energy: -148.251
flat angles C4'-P-C4' energy: -152.574
flat angles P-C4'-P energy: -119.282
tors. eta vs tors. theta energy: -220.466
Dist. restrs. and SS energy: 2.692 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -2480.018881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.018881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.860184 (E_RNA)
where:
Base-Base interactions energy: -1746.190
where: short stacking energy: -742.291
Base-Backbone interact. energy: -2.373
local terms energy: -739.297028
where:
bonds (distance) C4'-P energy: -119.328
bonds (distance) P-C4' energy: -133.668
flat angles C4'-P-C4' energy: -161.120
flat angles P-C4'-P energy: -116.523
tors. eta vs tors. theta energy: -208.658
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: 5, replica: 9
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -2369.022782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.022782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.010700 (E_RNA)
where:
Base-Base interactions energy: -1639.780
where: short stacking energy: -715.010
Base-Backbone interact. energy: -1.867
local terms energy: -744.363840
where:
bonds (distance) C4'-P energy: -133.365
bonds (distance) P-C4' energy: -145.901
flat angles C4'-P-C4' energy: -156.216
flat angles P-C4'-P energy: -92.304
tors. eta vs tors. theta energy: -216.577
Dist. restrs. and SS energy: 16.988 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -2250.613134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.613134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.007022 (E_RNA)
where:
Base-Base interactions energy: -1554.135
where: short stacking energy: -650.791
Base-Backbone interact. energy: -1.336
local terms energy: -707.536607
where:
bonds (distance) C4'-P energy: -121.243
bonds (distance) P-C4' energy: -142.130
flat angles C4'-P-C4' energy: -160.745
flat angles P-C4'-P energy: -99.850
tors. eta vs tors. theta energy: -183.570
Dist. restrs. and SS energy: 12.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -2183.440051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.440051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.449402 (E_RNA)
where:
Base-Base interactions energy: -1533.057
where: short stacking energy: -616.846
Base-Backbone interact. energy: -4.784
local terms energy: -656.608720
where:
bonds (distance) C4'-P energy: -120.894
bonds (distance) P-C4' energy: -128.285
flat angles C4'-P-C4' energy: -134.860
flat angles P-C4'-P energy: -89.727
tors. eta vs tors. theta energy: -182.843
Dist. restrs. and SS energy: 11.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -2044.134371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.134371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.838102 (E_RNA)
where:
Base-Base interactions energy: -1456.997
where: short stacking energy: -615.570
Base-Backbone interact. energy: -3.181
local terms energy: -602.659940
where:
bonds (distance) C4'-P energy: -92.194
bonds (distance) P-C4' energy: -108.636
flat angles C4'-P-C4' energy: -132.893
flat angles P-C4'-P energy: -102.599
tors. eta vs tors. theta energy: -166.339
Dist. restrs. and SS energy: 18.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -1991.972435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.972435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.524057 (E_RNA)
where:
Base-Base interactions energy: -1432.264
where: short stacking energy: -591.628
Base-Backbone interact. energy: -0.982
local terms energy: -574.278401
where:
bonds (distance) C4'-P energy: -91.143
bonds (distance) P-C4' energy: -110.755
flat angles C4'-P-C4' energy: -118.107
flat angles P-C4'-P energy: -77.189
tors. eta vs tors. theta energy: -177.084
Dist. restrs. and SS energy: 15.552 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -1882.485516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.485516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.369734 (E_RNA)
where:
Base-Base interactions energy: -1340.636
where: short stacking energy: -552.343
Base-Backbone interact. energy: 2.938
local terms energy: -565.671572
where:
bonds (distance) C4'-P energy: -91.300
bonds (distance) P-C4' energy: -107.205
flat angles C4'-P-C4' energy: -132.472
flat angles P-C4'-P energy: -78.377
tors. eta vs tors. theta energy: -156.318
Dist. restrs. and SS energy: 20.884 (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: 108
Temperature: 0.900000
Total energy: -2675.323930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.323930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.226801 (E_RNA)
where:
Base-Base interactions energy: -1864.509
where: short stacking energy: -797.739
Base-Backbone interact. energy: 5.538
local terms energy: -823.255920
where:
bonds (distance) C4'-P energy: -134.697
bonds (distance) P-C4' energy: -162.253
flat angles C4'-P-C4' energy: -171.946
flat angles P-C4'-P energy: -114.072
tors. eta vs tors. theta energy: -240.287
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: 2, replica: 8
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -2641.420100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.420100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.891530 (E_RNA)
where:
Base-Base interactions energy: -1852.774
where: short stacking energy: -792.754
Base-Backbone interact. energy: 1.594
local terms energy: -797.711189
where:
bonds (distance) C4'-P energy: -132.796
bonds (distance) P-C4' energy: -149.546
flat angles C4'-P-C4' energy: -163.882
flat angles P-C4'-P energy: -107.727
tors. eta vs tors. theta energy: -243.759
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: 3, replica: 10
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -2579.566172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.566172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.223290 (E_RNA)
where:
Base-Base interactions energy: -1832.726
where: short stacking energy: -784.978
Base-Backbone interact. energy: -2.476
local terms energy: -750.021223
where:
bonds (distance) C4'-P energy: -122.535
bonds (distance) P-C4' energy: -125.625
flat angles C4'-P-C4' energy: -158.435
flat angles P-C4'-P energy: -117.325
tors. eta vs tors. theta energy: -226.101
Dist. restrs. and SS energy: 5.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -2480.805717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.805717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.533130 (E_RNA)
where:
Base-Base interactions energy: -1720.405
where: short stacking energy: -751.640
Base-Backbone interact. energy: -2.570
local terms energy: -762.558917
where:
bonds (distance) C4'-P energy: -133.450
bonds (distance) P-C4' energy: -130.966
flat angles C4'-P-C4' energy: -167.307
flat angles P-C4'-P energy: -112.853
tors. eta vs tors. theta energy: -217.983
Dist. restrs. and SS energy: 4.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -2418.132504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.132504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.710381 (E_RNA)
where:
Base-Base interactions energy: -1686.513
where: short stacking energy: -735.665
Base-Backbone interact. energy: -1.701
local terms energy: -743.496685
where:
bonds (distance) C4'-P energy: -131.833
bonds (distance) P-C4' energy: -147.936
flat angles C4'-P-C4' energy: -155.703
flat angles P-C4'-P energy: -92.953
tors. eta vs tors. theta energy: -215.072
Dist. restrs. and SS energy: 13.578 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -2257.206945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.206945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.359828 (E_RNA)
where:
Base-Base interactions energy: -1586.168
where: short stacking energy: -673.687
Base-Backbone interact. energy: -4.421
local terms energy: -686.771673
where:
bonds (distance) C4'-P energy: -118.914
bonds (distance) P-C4' energy: -125.272
flat angles C4'-P-C4' energy: -154.605
flat angles P-C4'-P energy: -98.247
tors. eta vs tors. theta energy: -189.735
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: 7, replica: 3
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -2237.933983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.933983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.692013 (E_RNA)
where:
Base-Base interactions energy: -1549.619
where: short stacking energy: -679.565
Base-Backbone interact. energy: -3.712
local terms energy: -696.360853
where:
bonds (distance) C4'-P energy: -137.915
bonds (distance) P-C4' energy: -119.338
flat angles C4'-P-C4' energy: -158.685
flat angles P-C4'-P energy: -89.740
tors. eta vs tors. theta energy: -190.682
Dist. restrs. and SS energy: 11.758 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -2079.260759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.260759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.626909 (E_RNA)
where:
Base-Base interactions energy: -1444.485
where: short stacking energy: -602.484
Base-Backbone interact. energy: 3.004
local terms energy: -649.146224
where:
bonds (distance) C4'-P energy: -120.425
bonds (distance) P-C4' energy: -131.565
flat angles C4'-P-C4' energy: -143.165
flat angles P-C4'-P energy: -74.105
tors. eta vs tors. theta energy: -179.887
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: 4
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -1979.127732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.127732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.480588 (E_RNA)
where:
Base-Base interactions energy: -1373.703
where: short stacking energy: -582.161
Base-Backbone interact. energy: 3.395
local terms energy: -624.173248
where:
bonds (distance) C4'-P energy: -123.781
bonds (distance) P-C4' energy: -117.973
flat angles C4'-P-C4' energy: -126.962
flat angles P-C4'-P energy: -101.287
tors. eta vs tors. theta energy: -154.171
Dist. restrs. and SS energy: 15.353 (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: 6
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -1954.999586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.999586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.833845 (E_RNA)
where:
Base-Base interactions energy: -1407.707
where: short stacking energy: -577.868
Base-Backbone interact. energy: 3.885
local terms energy: -568.011388
where:
bonds (distance) C4'-P energy: -95.176
bonds (distance) P-C4' energy: -107.824
flat angles C4'-P-C4' energy: -123.542
flat angles P-C4'-P energy: -79.448
tors. eta vs tors. theta energy: -162.021
Dist. restrs. and SS energy: 16.834 (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: 109
Temperature: 0.900000
Total energy: -2705.763359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.763359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.319599 (E_RNA)
where:
Base-Base interactions energy: -1888.486
where: short stacking energy: -788.026
Base-Backbone interact. energy: -4.045
local terms energy: -818.788288
where:
bonds (distance) C4'-P energy: -137.673
bonds (distance) P-C4' energy: -149.392
flat angles C4'-P-C4' energy: -171.438
flat angles P-C4'-P energy: -121.119
tors. eta vs tors. theta energy: -239.167
Dist. restrs. and SS energy: 5.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -2662.823477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.823477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.598103 (E_RNA)
where:
Base-Base interactions energy: -1840.092
where: short stacking energy: -796.096
Base-Backbone interact. energy: -2.738
local terms energy: -825.768127
where:
bonds (distance) C4'-P energy: -143.511
bonds (distance) P-C4' energy: -153.881
flat angles C4'-P-C4' energy: -162.535
flat angles P-C4'-P energy: -123.232
tors. eta vs tors. theta energy: -242.609
Dist. restrs. and SS energy: 5.775 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -2601.733583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.733583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.949265 (E_RNA)
where:
Base-Base interactions energy: -1819.054
where: short stacking energy: -756.931
Base-Backbone interact. energy: -3.744
local terms energy: -782.151067
where:
bonds (distance) C4'-P energy: -140.251
bonds (distance) P-C4' energy: -143.116
flat angles C4'-P-C4' energy: -155.649
flat angles P-C4'-P energy: -108.074
tors. eta vs tors. theta energy: -235.062
Dist. restrs. and SS energy: 3.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -2481.669105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.669105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.589955 (E_RNA)
where:
Base-Base interactions energy: -1747.564
where: short stacking energy: -733.784
Base-Backbone interact. energy: -0.845
local terms energy: -738.180156
where:
bonds (distance) C4'-P energy: -133.291
bonds (distance) P-C4' energy: -134.202
flat angles C4'-P-C4' energy: -148.297
flat angles P-C4'-P energy: -110.766
tors. eta vs tors. theta energy: -211.623
Dist. restrs. and SS energy: 4.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -2337.828182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.828182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.360272 (E_RNA)
where:
Base-Base interactions energy: -1621.977
where: short stacking energy: -680.153
Base-Backbone interact. energy: -2.062
local terms energy: -729.320598
where:
bonds (distance) C4'-P energy: -141.026
bonds (distance) P-C4' energy: -135.049
flat angles C4'-P-C4' energy: -162.243
flat angles P-C4'-P energy: -91.227
tors. eta vs tors. theta energy: -199.775
Dist. restrs. and SS energy: 15.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -2277.201174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.201174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.610047 (E_RNA)
where:
Base-Base interactions energy: -1625.394
where: short stacking energy: -670.903
Base-Backbone interact. energy: 4.924
local terms energy: -668.140000
where:
bonds (distance) C4'-P energy: -117.548
bonds (distance) P-C4' energy: -126.859
flat angles C4'-P-C4' energy: -141.994
flat angles P-C4'-P energy: -88.705
tors. eta vs tors. theta energy: -193.034
Dist. restrs. and SS energy: 11.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -2194.309456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.309456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.951654 (E_RNA)
where:
Base-Base interactions energy: -1533.054
where: short stacking energy: -622.682
Base-Backbone interact. energy: -2.624
local terms energy: -670.273753
where:
bonds (distance) C4'-P energy: -118.242
bonds (distance) P-C4' energy: -130.324
flat angles C4'-P-C4' energy: -143.543
flat angles P-C4'-P energy: -100.679
tors. eta vs tors. theta energy: -177.486
Dist. restrs. and SS energy: 11.642 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -2029.043467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.043467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.215637 (E_RNA)
where:
Base-Base interactions energy: -1397.299
where: short stacking energy: -578.483
Base-Backbone interact. energy: -1.513
local terms energy: -645.402880
where:
bonds (distance) C4'-P energy: -132.899
bonds (distance) P-C4' energy: -128.921
flat angles C4'-P-C4' energy: -135.111
flat angles P-C4'-P energy: -88.205
tors. eta vs tors. theta energy: -160.267
Dist. restrs. and SS energy: 15.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -2020.555211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.555211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.381824 (E_RNA)
where:
Base-Base interactions energy: -1399.127
where: short stacking energy: -585.285
Base-Backbone interact. energy: 3.885
local terms energy: -645.140062
where:
bonds (distance) C4'-P energy: -116.149
bonds (distance) P-C4' energy: -123.554
flat angles C4'-P-C4' energy: -151.915
flat angles P-C4'-P energy: -87.322
tors. eta vs tors. theta energy: -166.200
Dist. restrs. and SS energy: 19.827 (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: 6
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -1882.565721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.565721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.569182 (E_RNA)
where:
Base-Base interactions energy: -1343.567
where: short stacking energy: -550.003
Base-Backbone interact. energy: -1.886
local terms energy: -565.116292
where:
bonds (distance) C4'-P energy: -105.671
bonds (distance) P-C4' energy: -94.170
flat angles C4'-P-C4' energy: -130.053
flat angles P-C4'-P energy: -86.990
tors. eta vs tors. theta energy: -148.232
Dist. restrs. and SS energy: 28.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -2688.474267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.474267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.369550 (E_RNA)
where:
Base-Base interactions energy: -1867.788
where: short stacking energy: -813.782
Base-Backbone interact. energy: -2.050
local terms energy: -830.531074
where:
bonds (distance) C4'-P energy: -128.538
bonds (distance) P-C4' energy: -157.399
flat angles C4'-P-C4' energy: -183.125
flat angles P-C4'-P energy: -119.021
tors. eta vs tors. theta energy: -242.448
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: 2, replica: 8
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -2664.029104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.029104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.270700 (E_RNA)
where:
Base-Base interactions energy: -1875.119
where: short stacking energy: -804.185
Base-Backbone interact. energy: -0.620
local terms energy: -792.531785
where:
bonds (distance) C4'-P energy: -123.516
bonds (distance) P-C4' energy: -150.648
flat angles C4'-P-C4' energy: -163.564
flat angles P-C4'-P energy: -114.893
tors. eta vs tors. theta energy: -239.912
Dist. restrs. and SS energy: 4.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -2583.726467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.726467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.280701 (E_RNA)
where:
Base-Base interactions energy: -1788.776
where: short stacking energy: -778.278
Base-Backbone interact. energy: -0.934
local terms energy: -796.570944
where:
bonds (distance) C4'-P energy: -124.104
bonds (distance) P-C4' energy: -149.125
flat angles C4'-P-C4' energy: -170.523
flat angles P-C4'-P energy: -115.588
tors. eta vs tors. theta energy: -237.231
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: 4, replica: 1
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -2477.315917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.315917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.571911 (E_RNA)
where:
Base-Base interactions energy: -1745.463
where: short stacking energy: -727.434
Base-Backbone interact. energy: -1.556
local terms energy: -736.552781
where:
bonds (distance) C4'-P energy: -136.309
bonds (distance) P-C4' energy: -130.929
flat angles C4'-P-C4' energy: -152.947
flat angles P-C4'-P energy: -105.385
tors. eta vs tors. theta energy: -210.982
Dist. restrs. and SS energy: 6.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -2319.386920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.386920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.335633 (E_RNA)
where:
Base-Base interactions energy: -1618.515
where: short stacking energy: -697.875
Base-Backbone interact. energy: 0.488
local terms energy: -713.308560
where:
bonds (distance) C4'-P energy: -134.912
bonds (distance) P-C4' energy: -127.646
flat angles C4'-P-C4' energy: -151.360
flat angles P-C4'-P energy: -97.488
tors. eta vs tors. theta energy: -201.902
Dist. restrs. and SS energy: 11.949 (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: 9
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -2316.170449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.170449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.530065 (E_RNA)
where:
Base-Base interactions energy: -1616.250
where: short stacking energy: -707.719
Base-Backbone interact. energy: -1.514
local terms energy: -713.766417
where:
bonds (distance) C4'-P energy: -140.132
bonds (distance) P-C4' energy: -133.407
flat angles C4'-P-C4' energy: -146.010
flat angles P-C4'-P energy: -88.501
tors. eta vs tors. theta energy: -205.716
Dist. restrs. and SS energy: 15.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -2079.740820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.740820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.668228 (E_RNA)
where:
Base-Base interactions energy: -1489.642
where: short stacking energy: -619.560
Base-Backbone interact. energy: 9.681
local terms energy: -620.707694
where:
bonds (distance) C4'-P energy: -122.721
bonds (distance) P-C4' energy: -96.530
flat angles C4'-P-C4' energy: -126.663
flat angles P-C4'-P energy: -97.398
tors. eta vs tors. theta energy: -177.396
Dist. restrs. and SS energy: 20.927 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -2182.180681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.180681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.242735 (E_RNA)
where:
Base-Base interactions energy: -1569.168
where: short stacking energy: -625.127
Base-Backbone interact. energy: -4.808
local terms energy: -620.266230
where:
bonds (distance) C4'-P energy: -106.003
bonds (distance) P-C4' energy: -118.844
flat angles C4'-P-C4' energy: -143.429
flat angles P-C4'-P energy: -76.227
tors. eta vs tors. theta energy: -175.763
Dist. restrs. and SS energy: 12.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -2017.673332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.673332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.553161 (E_RNA)
where:
Base-Base interactions energy: -1430.829
where: short stacking energy: -588.658
Base-Backbone interact. energy: 2.265
local terms energy: -612.990002
where:
bonds (distance) C4'-P energy: -116.101
bonds (distance) P-C4' energy: -106.442
flat angles C4'-P-C4' energy: -145.933
flat angles P-C4'-P energy: -76.740
tors. eta vs tors. theta energy: -167.773
Dist. restrs. and SS energy: 23.880 (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: 4
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -1963.856378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.856378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.262297 (E_RNA)
where:
Base-Base interactions energy: -1369.864
where: short stacking energy: -572.963
Base-Backbone interact. energy: 0.364
local terms energy: -607.761775
where:
bonds (distance) C4'-P energy: -108.239
bonds (distance) P-C4' energy: -116.583
flat angles C4'-P-C4' energy: -148.079
flat angles P-C4'-P energy: -77.811
tors. eta vs tors. theta energy: -157.051
Dist. restrs. and SS energy: 13.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -2713.305252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.305252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.226858 (E_RNA)
where:
Base-Base interactions energy: -1884.536
where: short stacking energy: -824.972
Base-Backbone interact. energy: -1.694
local terms energy: -831.997483
where:
bonds (distance) C4'-P energy: -143.042
bonds (distance) P-C4' energy: -160.194
flat angles C4'-P-C4' energy: -163.783
flat angles P-C4'-P energy: -123.966
tors. eta vs tors. theta energy: -241.012
Dist. restrs. and SS energy: 4.922 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -2644.947187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.947187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.762639 (E_RNA)
where:
Base-Base interactions energy: -1872.760
where: short stacking energy: -786.581
Base-Backbone interact. energy: -1.414
local terms energy: -775.588124
where:
bonds (distance) C4'-P energy: -133.406
bonds (distance) P-C4' energy: -135.406
flat angles C4'-P-C4' energy: -162.077
flat angles P-C4'-P energy: -103.382
tors. eta vs tors. theta energy: -241.317
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: 111
Temperature: 1.000000
Total energy: -2593.271138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.271138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.275474 (E_RNA)
where:
Base-Base interactions energy: -1828.004
where: short stacking energy: -778.701
Base-Backbone interact. energy: -1.636
local terms energy: -767.635105
where:
bonds (distance) C4'-P energy: -127.657
bonds (distance) P-C4' energy: -139.651
flat angles C4'-P-C4' energy: -152.174
flat angles P-C4'-P energy: -116.899
tors. eta vs tors. theta energy: -231.254
Dist. restrs. and SS energy: 4.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -2496.559812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.559812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.073513 (E_RNA)
where:
Base-Base interactions energy: -1754.153
where: short stacking energy: -765.764
Base-Backbone interact. energy: 1.474
local terms energy: -751.394197
where:
bonds (distance) C4'-P energy: -132.923
bonds (distance) P-C4' energy: -127.710
flat angles C4'-P-C4' energy: -153.726
flat angles P-C4'-P energy: -116.476
tors. eta vs tors. theta energy: -220.560
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: 5, replica: 3
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -2330.573516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.573516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.756091 (E_RNA)
where:
Base-Base interactions energy: -1627.213
where: short stacking energy: -703.451
Base-Backbone interact. energy: -3.352
local terms energy: -708.191208
where:
bonds (distance) C4'-P energy: -131.107
bonds (distance) P-C4' energy: -135.974
flat angles C4'-P-C4' energy: -144.174
flat angles P-C4'-P energy: -97.146
tors. eta vs tors. theta energy: -199.789
Dist. restrs. and SS energy: 8.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -2327.673039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.673039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.801751 (E_RNA)
where:
Base-Base interactions energy: -1658.727
where: short stacking energy: -683.381
Base-Backbone interact. energy: -1.151
local terms energy: -679.924072
where:
bonds (distance) C4'-P energy: -115.897
bonds (distance) P-C4' energy: -133.311
flat angles C4'-P-C4' energy: -133.973
flat angles P-C4'-P energy: -96.405
tors. eta vs tors. theta energy: -200.339
Dist. restrs. and SS energy: 12.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -2157.829808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.829808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.834001 (E_RNA)
where:
Base-Base interactions energy: -1534.129
where: short stacking energy: -638.377
Base-Backbone interact. energy: -0.174
local terms energy: -636.531713
where:
bonds (distance) C4'-P energy: -110.517
bonds (distance) P-C4' energy: -123.611
flat angles C4'-P-C4' energy: -154.070
flat angles P-C4'-P energy: -75.774
tors. eta vs tors. theta energy: -172.560
Dist. restrs. and SS energy: 13.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -2158.037349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.037349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.499624 (E_RNA)
where:
Base-Base interactions energy: -1530.622
where: short stacking energy: -646.531
Base-Backbone interact. energy: -1.974
local terms energy: -639.904011
where:
bonds (distance) C4'-P energy: -105.670
bonds (distance) P-C4' energy: -127.925
flat angles C4'-P-C4' energy: -133.872
flat angles P-C4'-P energy: -91.458
tors. eta vs tors. theta energy: -180.979
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: 9, replica: 6
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -2005.973459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.973459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.406887 (E_RNA)
where:
Base-Base interactions energy: -1440.275
where: short stacking energy: -579.682
Base-Backbone interact. energy: -3.918
local terms energy: -582.213659
where:
bonds (distance) C4'-P energy: -108.173
bonds (distance) P-C4' energy: -108.244
flat angles C4'-P-C4' energy: -135.151
flat angles P-C4'-P energy: -63.376
tors. eta vs tors. theta energy: -167.269
Dist. restrs. and SS energy: 20.433 (S_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: 111
Temperature: 1.350000
Total energy: -1920.998281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.998281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.820817 (E_RNA)
where:
Base-Base interactions energy: -1328.576
where: short stacking energy: -566.144
Base-Backbone interact. energy: 3.803
local terms energy: -619.047385
where:
bonds (distance) C4'-P energy: -104.093
bonds (distance) P-C4' energy: -108.452
flat angles C4'-P-C4' energy: -143.468
flat angles P-C4'-P energy: -86.920
tors. eta vs tors. theta energy: -176.114
Dist. restrs. and SS energy: 22.823 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -2712.842504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.842504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.230081 (E_RNA)
where:
Base-Base interactions energy: -1919.902
where: short stacking energy: -826.425
Base-Backbone interact. energy: -3.067
local terms energy: -793.260977
where:
bonds (distance) C4'-P energy: -130.038
bonds (distance) P-C4' energy: -137.362
flat angles C4'-P-C4' energy: -173.896
flat angles P-C4'-P energy: -113.210
tors. eta vs tors. theta energy: -238.755
Dist. restrs. and SS energy: 3.388 (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: 8
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -2639.381272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.381272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.685499 (E_RNA)
where:
Base-Base interactions energy: -1863.643
where: short stacking energy: -791.613
Base-Backbone interact. energy: -1.918
local terms energy: -778.124571
where:
bonds (distance) C4'-P energy: -144.464
bonds (distance) P-C4' energy: -142.489
flat angles C4'-P-C4' energy: -163.821
flat angles P-C4'-P energy: -96.504
tors. eta vs tors. theta energy: -230.847
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: 10
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -2589.982601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.982601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.086014 (E_RNA)
where:
Base-Base interactions energy: -1818.808
where: short stacking energy: -773.300
Base-Backbone interact. energy: -3.253
local terms energy: -771.024725
where:
bonds (distance) C4'-P energy: -129.031
bonds (distance) P-C4' energy: -132.056
flat angles C4'-P-C4' energy: -160.354
flat angles P-C4'-P energy: -121.545
tors. eta vs tors. theta energy: -228.039
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: 4, replica: 1
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -2504.755143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.755143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.718955 (E_RNA)
where:
Base-Base interactions energy: -1731.387
where: short stacking energy: -725.425
Base-Backbone interact. energy: -2.561
local terms energy: -781.771228
where:
bonds (distance) C4'-P energy: -142.843
bonds (distance) P-C4' energy: -141.618
flat angles C4'-P-C4' energy: -166.882
flat angles P-C4'-P energy: -107.874
tors. eta vs tors. theta energy: -222.554
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: 5, replica: 3
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -2314.303158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.303158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.616756 (E_RNA)
where:
Base-Base interactions energy: -1628.719
where: short stacking energy: -706.960
Base-Backbone interact. energy: -3.351
local terms energy: -695.547200
where:
bonds (distance) C4'-P energy: -123.380
bonds (distance) P-C4' energy: -129.392
flat angles C4'-P-C4' energy: -151.593
flat angles P-C4'-P energy: -90.972
tors. eta vs tors. theta energy: -200.209
Dist. restrs. and SS energy: 13.314 (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: 112
Temperature: 1.150000
Total energy: -2276.761547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.761547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.927248 (E_RNA)
where:
Base-Base interactions energy: -1573.023
where: short stacking energy: -671.508
Base-Backbone interact. energy: -1.926
local terms energy: -715.978348
where:
bonds (distance) C4'-P energy: -124.770
bonds (distance) P-C4' energy: -133.381
flat angles C4'-P-C4' energy: -155.576
flat angles P-C4'-P energy: -102.849
tors. eta vs tors. theta energy: -199.402
Dist. restrs. and SS energy: 14.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -2162.433876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.433876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.476617 (E_RNA)
where:
Base-Base interactions energy: -1526.777
where: short stacking energy: -640.695
Base-Backbone interact. energy: -3.226
local terms energy: -642.473050
where:
bonds (distance) C4'-P energy: -135.807
bonds (distance) P-C4' energy: -107.959
flat angles C4'-P-C4' energy: -150.367
flat angles P-C4'-P energy: -73.943
tors. eta vs tors. theta energy: -174.398
Dist. restrs. and SS energy: 10.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -2057.212168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.212168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.298307 (E_RNA)
where:
Base-Base interactions energy: -1445.186
where: short stacking energy: -609.082
Base-Backbone interact. energy: -0.747
local terms energy: -635.366129
where:
bonds (distance) C4'-P energy: -114.435
bonds (distance) P-C4' energy: -129.256
flat angles C4'-P-C4' energy: -145.960
flat angles P-C4'-P energy: -90.425
tors. eta vs tors. theta energy: -155.290
Dist. restrs. and SS energy: 24.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -2013.399576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.399576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.819130 (E_RNA)
where:
Base-Base interactions energy: -1447.311
where: short stacking energy: -593.661
Base-Backbone interact. energy: -1.696
local terms energy: -578.811901
where:
bonds (distance) C4'-P energy: -102.394
bonds (distance) P-C4' energy: -111.913
flat angles C4'-P-C4' energy: -120.263
flat angles P-C4'-P energy: -86.877
tors. eta vs tors. theta energy: -157.366
Dist. restrs. and SS energy: 14.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -1900.677961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.677961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.383696 (E_RNA)
where:
Base-Base interactions energy: -1336.235
where: short stacking energy: -549.956
Base-Backbone interact. energy: -1.217
local terms energy: -586.932475
where:
bonds (distance) C4'-P energy: -115.328
bonds (distance) P-C4' energy: -128.115
flat angles C4'-P-C4' energy: -114.263
flat angles P-C4'-P energy: -74.946
tors. eta vs tors. theta energy: -154.281
Dist. restrs. and SS energy: 23.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -2715.597717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.597717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.719563 (E_RNA)
where:
Base-Base interactions energy: -1911.531
where: short stacking energy: -799.433
Base-Backbone interact. energy: -0.359
local terms energy: -807.829667
where:
bonds (distance) C4'-P energy: -135.399
bonds (distance) P-C4' energy: -143.081
flat angles C4'-P-C4' energy: -171.768
flat angles P-C4'-P energy: -118.277
tors. eta vs tors. theta energy: -239.306
Dist. restrs. and SS energy: 4.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -2652.295432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.295432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.519882 (E_RNA)
where:
Base-Base interactions energy: -1874.628
where: short stacking energy: -814.146
Base-Backbone interact. energy: -3.515
local terms energy: -778.377561
where:
bonds (distance) C4'-P energy: -121.990
bonds (distance) P-C4' energy: -132.998
flat angles C4'-P-C4' energy: -169.218
flat angles P-C4'-P energy: -112.378
tors. eta vs tors. theta energy: -241.793
Dist. restrs. and SS energy: 4.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -2609.237634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.237634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.642268 (E_RNA)
where:
Base-Base interactions energy: -1826.708
where: short stacking energy: -786.228
Base-Backbone interact. energy: -1.856
local terms energy: -787.078535
where:
bonds (distance) C4'-P energy: -121.728
bonds (distance) P-C4' energy: -141.368
flat angles C4'-P-C4' energy: -168.178
flat angles P-C4'-P energy: -115.499
tors. eta vs tors. theta energy: -240.305
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: 4, replica: 1
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -2484.524663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.524663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.946799 (E_RNA)
where:
Base-Base interactions energy: -1752.135
where: short stacking energy: -736.080
Base-Backbone interact. energy: -3.283
local terms energy: -736.528442
where:
bonds (distance) C4'-P energy: -136.945
bonds (distance) P-C4' energy: -124.635
flat angles C4'-P-C4' energy: -158.849
flat angles P-C4'-P energy: -100.415
tors. eta vs tors. theta energy: -215.685
Dist. restrs. and SS energy: 7.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -2335.223318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.223318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.088010 (E_RNA)
where:
Base-Base interactions energy: -1641.577
where: short stacking energy: -674.105
Base-Backbone interact. energy: -1.044
local terms energy: -704.467362
where:
bonds (distance) C4'-P energy: -134.278
bonds (distance) P-C4' energy: -136.992
flat angles C4'-P-C4' energy: -149.247
flat angles P-C4'-P energy: -93.122
tors. eta vs tors. theta energy: -190.827
Dist. restrs. and SS energy: 11.865 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -2281.935313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.935313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.766198 (E_RNA)
where:
Base-Base interactions energy: -1605.802
where: short stacking energy: -686.383
Base-Backbone interact. energy: -0.110
local terms energy: -691.853788
where:
bonds (distance) C4'-P energy: -116.578
bonds (distance) P-C4' energy: -123.498
flat angles C4'-P-C4' energy: -159.378
flat angles P-C4'-P energy: -90.862
tors. eta vs tors. theta energy: -201.538
Dist. restrs. and SS energy: 15.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -2162.433334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.433334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.945732 (E_RNA)
where:
Base-Base interactions energy: -1506.167
where: short stacking energy: -629.007
Base-Backbone interact. energy: -2.969
local terms energy: -663.810077
where:
bonds (distance) C4'-P energy: -117.903
bonds (distance) P-C4' energy: -138.434
flat angles C4'-P-C4' energy: -137.899
flat angles P-C4'-P energy: -97.926
tors. eta vs tors. theta energy: -171.648
Dist. restrs. and SS energy: 10.512 (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: 7
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -2130.150232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.150232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.231969 (E_RNA)
where:
Base-Base interactions energy: -1515.586
where: short stacking energy: -635.072
Base-Backbone interact. energy: -4.230
local terms energy: -631.416688
where:
bonds (distance) C4'-P energy: -108.117
bonds (distance) P-C4' energy: -128.739
flat angles C4'-P-C4' energy: -126.879
flat angles P-C4'-P energy: -73.612
tors. eta vs tors. theta energy: -194.069
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: 4
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -2033.608559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.608559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.488530 (E_RNA)
where:
Base-Base interactions energy: -1468.776
where: short stacking energy: -599.169
Base-Backbone interact. energy: -0.949
local terms energy: -579.762815
where:
bonds (distance) C4'-P energy: -115.589
bonds (distance) P-C4' energy: -117.686
flat angles C4'-P-C4' energy: -137.280
flat angles P-C4'-P energy: -53.698
tors. eta vs tors. theta energy: -155.509
Dist. restrs. and SS energy: 15.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -1853.242008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.242008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.388814 (E_RNA)
where:
Base-Base interactions energy: -1344.821
where: short stacking energy: -560.086
Base-Backbone interact. energy: 0.781
local terms energy: -537.349323
where:
bonds (distance) C4'-P energy: -101.138
bonds (distance) P-C4' energy: -98.970
flat angles C4'-P-C4' energy: -109.234
flat angles P-C4'-P energy: -74.787
tors. eta vs tors. theta energy: -153.220
Dist. restrs. and SS energy: 28.147 (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: 2
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -2708.845528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.845528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.825698 (E_RNA)
where:
Base-Base interactions energy: -1905.521
where: short stacking energy: -828.749
Base-Backbone interact. energy: -0.419
local terms energy: -804.885962
where:
bonds (distance) C4'-P energy: -127.024
bonds (distance) P-C4' energy: -140.738
flat angles C4'-P-C4' energy: -170.380
flat angles P-C4'-P energy: -118.160
tors. eta vs tors. theta energy: -248.583
Dist. restrs. and SS energy: 1.980 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -2630.499656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.499656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.621249 (E_RNA)
where:
Base-Base interactions energy: -1842.036
where: short stacking energy: -820.029
Base-Backbone interact. energy: -2.679
local terms energy: -791.906103
where:
bonds (distance) C4'-P energy: -140.129
bonds (distance) P-C4' energy: -142.610
flat angles C4'-P-C4' energy: -154.635
flat angles P-C4'-P energy: -112.159
tors. eta vs tors. theta energy: -242.373
Dist. restrs. and SS energy: 6.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -2597.744365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.744365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.478831 (E_RNA)
where:
Base-Base interactions energy: -1813.078
where: short stacking energy: -771.616
Base-Backbone interact. energy: -1.550
local terms energy: -788.850934
where:
bonds (distance) C4'-P energy: -131.980
bonds (distance) P-C4' energy: -129.219
flat angles C4'-P-C4' energy: -169.445
flat angles P-C4'-P energy: -112.841
tors. eta vs tors. theta energy: -245.367
Dist. restrs. and SS energy: 5.734 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -2491.419239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.419239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.012030 (E_RNA)
where:
Base-Base interactions energy: -1746.823
where: short stacking energy: -736.950
Base-Backbone interact. energy: -1.877
local terms energy: -750.312013
where:
bonds (distance) C4'-P energy: -127.620
bonds (distance) P-C4' energy: -127.186
flat angles C4'-P-C4' energy: -171.703
flat angles P-C4'-P energy: -99.553
tors. eta vs tors. theta energy: -224.250
Dist. restrs. and SS energy: 7.593 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -2341.594930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.594930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.386420 (E_RNA)
where:
Base-Base interactions energy: -1630.174
where: short stacking energy: -694.364
Base-Backbone interact. energy: -1.927
local terms energy: -720.285423
where:
bonds (distance) C4'-P energy: -130.923
bonds (distance) P-C4' energy: -154.896
flat angles C4'-P-C4' energy: -139.193
flat angles P-C4'-P energy: -96.199
tors. eta vs tors. theta energy: -199.075
Dist. restrs. and SS energy: 10.791 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -2273.789534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.789534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.230976 (E_RNA)
where:
Base-Base interactions energy: -1597.623
where: short stacking energy: -661.146
Base-Backbone interact. energy: -3.034
local terms energy: -687.574311
where:
bonds (distance) C4'-P energy: -120.724
bonds (distance) P-C4' energy: -130.432
flat angles C4'-P-C4' energy: -151.293
flat angles P-C4'-P energy: -88.034
tors. eta vs tors. theta energy: -197.092
Dist. restrs. and SS energy: 14.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -2176.657546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.657546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.762062 (E_RNA)
where:
Base-Base interactions energy: -1549.661
where: short stacking energy: -637.326
Base-Backbone interact. energy: -1.677
local terms energy: -638.423902
where:
bonds (distance) C4'-P energy: -124.695
bonds (distance) P-C4' energy: -112.768
flat angles C4'-P-C4' energy: -144.868
flat angles P-C4'-P energy: -77.243
tors. eta vs tors. theta energy: -178.851
Dist. restrs. and SS energy: 13.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -2148.450350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.450350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.730354 (E_RNA)
where:
Base-Base interactions energy: -1523.131
where: short stacking energy: -646.160
Base-Backbone interact. energy: -2.588
local terms energy: -646.011488
where:
bonds (distance) C4'-P energy: -107.231
bonds (distance) P-C4' energy: -104.830
flat angles C4'-P-C4' energy: -145.410
flat angles P-C4'-P energy: -101.688
tors. eta vs tors. theta energy: -186.852
Dist. restrs. and SS energy: 23.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -1999.472274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.472274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.787967 (E_RNA)
where:
Base-Base interactions energy: -1399.617
where: short stacking energy: -576.185
Base-Backbone interact. energy: -2.428
local terms energy: -618.742557
where:
bonds (distance) C4'-P energy: -118.771
bonds (distance) P-C4' energy: -119.598
flat angles C4'-P-C4' energy: -139.061
flat angles P-C4'-P energy: -86.864
tors. eta vs tors. theta energy: -154.450
Dist. restrs. and SS energy: 21.316 (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: 6
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -1915.093629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.093629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.327704 (E_RNA)
where:
Base-Base interactions energy: -1346.595
where: short stacking energy: -563.810
Base-Backbone interact. energy: -2.423
local terms energy: -597.309031
where:
bonds (distance) C4'-P energy: -106.610
bonds (distance) P-C4' energy: -129.813
flat angles C4'-P-C4' energy: -119.549
flat angles P-C4'-P energy: -80.488
tors. eta vs tors. theta energy: -160.850
Dist. restrs. and SS energy: 31.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -2703.860790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.860790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.771831 (E_RNA)
where:
Base-Base interactions energy: -1877.555
where: short stacking energy: -818.394
Base-Backbone interact. energy: -2.142
local terms energy: -827.074416
where:
bonds (distance) C4'-P energy: -154.106
bonds (distance) P-C4' energy: -149.944
flat angles C4'-P-C4' energy: -174.008
flat angles P-C4'-P energy: -111.946
tors. eta vs tors. theta energy: -237.070
Dist. restrs. and SS energy: 2.911 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -2653.154297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.154297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.196197 (E_RNA)
where:
Base-Base interactions energy: -1859.743
where: short stacking energy: -795.434
Base-Backbone interact. energy: -3.538
local terms energy: -793.914754
where:
bonds (distance) C4'-P energy: -119.807
bonds (distance) P-C4' energy: -150.355
flat angles C4'-P-C4' energy: -169.302
flat angles P-C4'-P energy: -114.057
tors. eta vs tors. theta energy: -240.394
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: 3, replica: 8
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -2583.860678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.860678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.941691 (E_RNA)
where:
Base-Base interactions energy: -1804.479
where: short stacking energy: -772.016
Base-Backbone interact. energy: -1.364
local terms energy: -783.098062
where:
bonds (distance) C4'-P energy: -130.344
bonds (distance) P-C4' energy: -140.290
flat angles C4'-P-C4' energy: -157.427
flat angles P-C4'-P energy: -120.527
tors. eta vs tors. theta energy: -234.510
Dist. restrs. and SS energy: 5.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -2511.047587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.047587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.683224 (E_RNA)
where:
Base-Base interactions energy: -1749.424
where: short stacking energy: -720.213
Base-Backbone interact. energy: -2.891
local terms energy: -767.368487
where:
bonds (distance) C4'-P energy: -147.607
bonds (distance) P-C4' energy: -148.209
flat angles C4'-P-C4' energy: -151.794
flat angles P-C4'-P energy: -103.805
tors. eta vs tors. theta energy: -215.954
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: 3
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -2384.383375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.383375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.259873 (E_RNA)
where:
Base-Base interactions energy: -1702.690
where: short stacking energy: -715.571
Base-Backbone interact. energy: -1.969
local terms energy: -687.600759
where:
bonds (distance) C4'-P energy: -127.682
bonds (distance) P-C4' energy: -114.695
flat angles C4'-P-C4' energy: -157.117
flat angles P-C4'-P energy: -89.653
tors. eta vs tors. theta energy: -198.453
Dist. restrs. and SS energy: 7.876 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -2287.420920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.420920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.503975 (E_RNA)
where:
Base-Base interactions energy: -1607.541
where: short stacking energy: -690.956
Base-Backbone interact. energy: -3.389
local terms energy: -689.574028
where:
bonds (distance) C4'-P energy: -106.148
bonds (distance) P-C4' energy: -130.508
flat angles C4'-P-C4' energy: -160.517
flat angles P-C4'-P energy: -92.274
tors. eta vs tors. theta energy: -200.127
Dist. restrs. and SS energy: 13.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -2200.272169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.272169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.892278 (E_RNA)
where:
Base-Base interactions energy: -1560.777
where: short stacking energy: -649.818
Base-Backbone interact. energy: 1.467
local terms energy: -655.583064
where:
bonds (distance) C4'-P energy: -107.396
bonds (distance) P-C4' energy: -121.119
flat angles C4'-P-C4' energy: -150.634
flat angles P-C4'-P energy: -89.201
tors. eta vs tors. theta energy: -187.233
Dist. restrs. and SS energy: 14.620 (S_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: 115
Temperature: 1.250000
Total energy: -2172.970056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.970056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.512466 (E_RNA)
where:
Base-Base interactions energy: -1557.118
where: short stacking energy: -636.751
Base-Backbone interact. energy: -2.150
local terms energy: -633.244528
where:
bonds (distance) C4'-P energy: -109.641
bonds (distance) P-C4' energy: -110.113
flat angles C4'-P-C4' energy: -133.723
flat angles P-C4'-P energy: -89.370
tors. eta vs tors. theta energy: -190.398
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: 9, replica: 4
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -1991.582407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.582407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.787337 (E_RNA)
where:
Base-Base interactions energy: -1405.535
where: short stacking energy: -566.115
Base-Backbone interact. energy: 0.113
local terms energy: -600.365150
where:
bonds (distance) C4'-P energy: -117.750
bonds (distance) P-C4' energy: -107.677
flat angles C4'-P-C4' energy: -134.126
flat angles P-C4'-P energy: -85.604
tors. eta vs tors. theta energy: -155.208
Dist. restrs. and SS energy: 14.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -1880.266310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.266310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.778306 (E_RNA)
where:
Base-Base interactions energy: -1354.720
where: short stacking energy: -515.426
Base-Backbone interact. energy: -0.380
local terms energy: -563.677991
where:
bonds (distance) C4'-P energy: -108.293
bonds (distance) P-C4' energy: -103.390
flat angles C4'-P-C4' energy: -128.129
flat angles P-C4'-P energy: -85.054
tors. eta vs tors. theta energy: -138.811
Dist. restrs. and SS energy: 38.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -2699.206383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.206383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.339430 (E_RNA)
where:
Base-Base interactions energy: -1868.331
where: short stacking energy: -814.670
Base-Backbone interact. energy: -5.309
local terms energy: -830.699566
where:
bonds (distance) C4'-P energy: -137.632
bonds (distance) P-C4' energy: -153.354
flat angles C4'-P-C4' energy: -168.053
flat angles P-C4'-P energy: -126.655
tors. eta vs tors. theta energy: -245.006
Dist. restrs. and SS energy: 5.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -2653.384290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.384290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.067056 (E_RNA)
where:
Base-Base interactions energy: -1855.629
where: short stacking energy: -816.325
Base-Backbone interact. energy: -3.528
local terms energy: -798.910019
where:
bonds (distance) C4'-P energy: -143.416
bonds (distance) P-C4' energy: -143.889
flat angles C4'-P-C4' energy: -160.640
flat angles P-C4'-P energy: -112.563
tors. eta vs tors. theta energy: -238.402
Dist. restrs. and SS energy: 4.683 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -2581.489061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.489061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.315194 (E_RNA)
where:
Base-Base interactions energy: -1816.950
where: short stacking energy: -767.454
Base-Backbone interact. energy: -3.099
local terms energy: -766.265285
where:
bonds (distance) C4'-P energy: -122.496
bonds (distance) P-C4' energy: -144.097
flat angles C4'-P-C4' energy: -158.293
flat angles P-C4'-P energy: -106.558
tors. eta vs tors. theta energy: -234.821
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: 4, replica: 1
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -2527.231108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.231108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.147824 (E_RNA)
where:
Base-Base interactions energy: -1780.095
where: short stacking energy: -733.747
Base-Backbone interact. energy: -4.965
local terms energy: -749.087782
where:
bonds (distance) C4'-P energy: -131.227
bonds (distance) P-C4' energy: -135.664
flat angles C4'-P-C4' energy: -148.276
flat angles P-C4'-P energy: -117.489
tors. eta vs tors. theta energy: -216.431
Dist. restrs. and SS energy: 6.917 (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: 3
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -2357.260372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.260372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.325025 (E_RNA)
where:
Base-Base interactions energy: -1650.741
where: short stacking energy: -712.533
Base-Backbone interact. energy: -2.112
local terms energy: -714.471326
where:
bonds (distance) C4'-P energy: -139.487
bonds (distance) P-C4' energy: -127.794
flat angles C4'-P-C4' energy: -156.013
flat angles P-C4'-P energy: -89.460
tors. eta vs tors. theta energy: -201.718
Dist. restrs. and SS energy: 10.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -2305.025098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.025098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.834294 (E_RNA)
where:
Base-Base interactions energy: -1631.452
where: short stacking energy: -704.498
Base-Backbone interact. energy: -1.534
local terms energy: -685.848708
where:
bonds (distance) C4'-P energy: -113.037
bonds (distance) P-C4' energy: -133.558
flat angles C4'-P-C4' energy: -148.142
flat angles P-C4'-P energy: -90.204
tors. eta vs tors. theta energy: -200.909
Dist. restrs. and SS energy: 13.809 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -2233.463676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.463676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.526388 (E_RNA)
where:
Base-Base interactions energy: -1590.099
where: short stacking energy: -658.303
Base-Backbone interact. energy: 0.757
local terms energy: -656.183739
where:
bonds (distance) C4'-P energy: -112.029
bonds (distance) P-C4' energy: -110.586
flat angles C4'-P-C4' energy: -143.911
flat angles P-C4'-P energy: -100.371
tors. eta vs tors. theta energy: -189.286
Dist. restrs. and SS energy: 12.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -2125.890824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.890824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.989980 (E_RNA)
where:
Base-Base interactions energy: -1508.251
where: short stacking energy: -626.412
Base-Backbone interact. energy: -3.145
local terms energy: -628.594073
where:
bonds (distance) C4'-P energy: -115.340
bonds (distance) P-C4' energy: -115.601
flat angles C4'-P-C4' energy: -132.350
flat angles P-C4'-P energy: -83.096
tors. eta vs tors. theta energy: -182.206
Dist. restrs. and SS energy: 14.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -1985.382044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.382044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.263081 (E_RNA)
where:
Base-Base interactions energy: -1383.074
where: short stacking energy: -592.042
Base-Backbone interact. energy: -1.065
local terms energy: -615.123836
where:
bonds (distance) C4'-P energy: -108.188
bonds (distance) P-C4' energy: -128.705
flat angles C4'-P-C4' energy: -135.217
flat angles P-C4'-P energy: -81.300
tors. eta vs tors. theta energy: -161.714
Dist. restrs. and SS energy: 13.881 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -1924.054821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.054821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.463791 (E_RNA)
where:
Base-Base interactions energy: -1349.056
where: short stacking energy: -529.579
Base-Backbone interact. energy: 4.471
local terms energy: -608.878741
where:
bonds (distance) C4'-P energy: -125.699
bonds (distance) P-C4' energy: -112.688
flat angles C4'-P-C4' energy: -139.566
flat angles P-C4'-P energy: -68.830
tors. eta vs tors. theta energy: -162.095
Dist. restrs. and SS energy: 29.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -2686.349272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.349272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.809096 (E_RNA)
where:
Base-Base interactions energy: -1850.933
where: short stacking energy: -795.087
Base-Backbone interact. energy: -2.359
local terms energy: -838.516950
where:
bonds (distance) C4'-P energy: -147.462
bonds (distance) P-C4' energy: -153.802
flat angles C4'-P-C4' energy: -179.462
flat angles P-C4'-P energy: -117.865
tors. eta vs tors. theta energy: -239.927
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: 10
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -2659.234885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.234885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.319038 (E_RNA)
where:
Base-Base interactions energy: -1845.409
where: short stacking energy: -802.565
Base-Backbone interact. energy: -1.389
local terms energy: -815.521574
where:
bonds (distance) C4'-P energy: -136.912
bonds (distance) P-C4' energy: -143.470
flat angles C4'-P-C4' energy: -168.697
flat angles P-C4'-P energy: -114.831
tors. eta vs tors. theta energy: -251.610
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: 3, replica: 8
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -2607.526696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.526696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.818441 (E_RNA)
where:
Base-Base interactions energy: -1827.627
where: short stacking energy: -774.283
Base-Backbone interact. energy: -3.113
local terms energy: -782.078684
where:
bonds (distance) C4'-P energy: -131.482
bonds (distance) P-C4' energy: -127.110
flat angles C4'-P-C4' energy: -175.680
flat angles P-C4'-P energy: -111.372
tors. eta vs tors. theta energy: -236.435
Dist. restrs. and SS energy: 5.292 (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: 1
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -2532.763953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.763953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.821680 (E_RNA)
where:
Base-Base interactions energy: -1787.017
where: short stacking energy: -781.479
Base-Backbone interact. energy: -1.489
local terms energy: -757.315443
where:
bonds (distance) C4'-P energy: -126.413
bonds (distance) P-C4' energy: -128.013
flat angles C4'-P-C4' energy: -167.412
flat angles P-C4'-P energy: -113.814
tors. eta vs tors. theta energy: -221.664
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: 5, replica: 3
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -2362.909712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.909712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.556343 (E_RNA)
where:
Base-Base interactions energy: -1665.002
where: short stacking energy: -701.698
Base-Backbone interact. energy: 1.016
local terms energy: -713.569870
where:
bonds (distance) C4'-P energy: -128.569
bonds (distance) P-C4' energy: -138.906
flat angles C4'-P-C4' energy: -152.055
flat angles P-C4'-P energy: -94.190
tors. eta vs tors. theta energy: -199.849
Dist. restrs. and SS energy: 14.647 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -2286.465418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.465418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.964952 (E_RNA)
where:
Base-Base interactions energy: -1627.504
where: short stacking energy: -688.039
Base-Backbone interact. energy: -1.767
local terms energy: -666.694182
where:
bonds (distance) C4'-P energy: -117.632
bonds (distance) P-C4' energy: -103.765
flat angles C4'-P-C4' energy: -152.946
flat angles P-C4'-P energy: -94.205
tors. eta vs tors. theta energy: -198.148
Dist. restrs. and SS energy: 9.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -2192.456272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.456272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.819545 (E_RNA)
where:
Base-Base interactions energy: -1543.131
where: short stacking energy: -629.214
Base-Backbone interact. energy: -4.909
local terms energy: -658.779399
where:
bonds (distance) C4'-P energy: -112.349
bonds (distance) P-C4' energy: -140.652
flat angles C4'-P-C4' energy: -149.304
flat angles P-C4'-P energy: -68.391
tors. eta vs tors. theta energy: -188.083
Dist. restrs. and SS energy: 14.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -2116.725049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.725049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.274711 (E_RNA)
where:
Base-Base interactions energy: -1515.809
where: short stacking energy: -638.818
Base-Backbone interact. energy: -0.366
local terms energy: -611.099806
where:
bonds (distance) C4'-P energy: -91.273
bonds (distance) P-C4' energy: -115.600
flat angles C4'-P-C4' energy: -123.164
flat angles P-C4'-P energy: -88.477
tors. eta vs tors. theta energy: -192.586
Dist. restrs. and SS energy: 10.550 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -2017.580700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.580700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.257282 (E_RNA)
where:
Base-Base interactions energy: -1404.960
where: short stacking energy: -542.193
Base-Backbone interact. energy: -1.932
local terms energy: -624.365435
where:
bonds (distance) C4'-P energy: -130.959
bonds (distance) P-C4' energy: -122.287
flat angles C4'-P-C4' energy: -121.859
flat angles P-C4'-P energy: -94.598
tors. eta vs tors. theta energy: -154.663
Dist. restrs. and SS energy: 13.677 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -1938.857488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.857488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.907960 (E_RNA)
where:
Base-Base interactions energy: -1412.669
where: short stacking energy: -574.669
Base-Backbone interact. energy: 10.312
local terms energy: -556.551703
where:
bonds (distance) C4'-P energy: -109.196
bonds (distance) P-C4' energy: -95.882
flat angles C4'-P-C4' energy: -111.623
flat angles P-C4'-P energy: -76.537
tors. eta vs tors. theta energy: -163.314
Dist. restrs. and SS energy: 20.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -2702.259057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.259057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.573087 (E_RNA)
where:
Base-Base interactions energy: -1909.115
where: short stacking energy: -822.814
Base-Backbone interact. energy: -2.184
local terms energy: -794.274081
where:
bonds (distance) C4'-P energy: -136.922
bonds (distance) P-C4' energy: -145.546
flat angles C4'-P-C4' energy: -169.655
flat angles P-C4'-P energy: -105.014
tors. eta vs tors. theta energy: -237.137
Dist. restrs. and SS energy: 3.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -2669.765644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.765644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.062160 (E_RNA)
where:
Base-Base interactions energy: -1881.565
where: short stacking energy: -791.770
Base-Backbone interact. energy: -1.684
local terms energy: -788.812610
where:
bonds (distance) C4'-P energy: -128.745
bonds (distance) P-C4' energy: -136.998
flat angles C4'-P-C4' energy: -162.086
flat angles P-C4'-P energy: -124.933
tors. eta vs tors. theta energy: -236.051
Dist. restrs. and SS energy: 2.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -2577.995047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.995047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.899318 (E_RNA)
where:
Base-Base interactions energy: -1803.235
where: short stacking energy: -766.318
Base-Backbone interact. energy: -1.679
local terms energy: -777.985361
where:
bonds (distance) C4'-P energy: -133.365
bonds (distance) P-C4' energy: -133.151
flat angles C4'-P-C4' energy: -166.500
flat angles P-C4'-P energy: -119.432
tors. eta vs tors. theta energy: -225.538
Dist. restrs. and SS energy: 4.904 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -2503.830289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.830289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.604491 (E_RNA)
where:
Base-Base interactions energy: -1733.864
where: short stacking energy: -720.281
Base-Backbone interact. energy: -0.618
local terms energy: -777.123258
where:
bonds (distance) C4'-P energy: -130.741
bonds (distance) P-C4' energy: -159.617
flat angles C4'-P-C4' energy: -153.103
flat angles P-C4'-P energy: -110.811
tors. eta vs tors. theta energy: -222.851
Dist. restrs. and SS energy: 7.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -2360.039795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.039795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.338352 (E_RNA)
where:
Base-Base interactions energy: -1686.166
where: short stacking energy: -692.834
Base-Backbone interact. energy: -2.155
local terms energy: -685.017264
where:
bonds (distance) C4'-P energy: -121.523
bonds (distance) P-C4' energy: -127.011
flat angles C4'-P-C4' energy: -135.994
flat angles P-C4'-P energy: -107.129
tors. eta vs tors. theta energy: -193.361
Dist. restrs. and SS energy: 13.299 (S_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: 118
Temperature: 1.150000
Total energy: -2332.700625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.700625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.991137 (E_RNA)
where:
Base-Base interactions energy: -1628.669
where: short stacking energy: -673.419
Base-Backbone interact. energy: 1.323
local terms energy: -714.644646
where:
bonds (distance) C4'-P energy: -134.727
bonds (distance) P-C4' energy: -124.752
flat angles C4'-P-C4' energy: -155.303
flat angles P-C4'-P energy: -95.325
tors. eta vs tors. theta energy: -204.537
Dist. restrs. and SS energy: 9.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -2202.600519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.600519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.098408 (E_RNA)
where:
Base-Base interactions energy: -1552.182
where: short stacking energy: -660.750
Base-Backbone interact. energy: 2.562
local terms energy: -661.477936
where:
bonds (distance) C4'-P energy: -123.779
bonds (distance) P-C4' energy: -123.858
flat angles C4'-P-C4' energy: -138.401
flat angles P-C4'-P energy: -86.563
tors. eta vs tors. theta energy: -188.877
Dist. restrs. and SS energy: 8.498 (S_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: 118
Temperature: 1.250000
Total energy: -2115.111813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.111813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.048292 (E_RNA)
where:
Base-Base interactions energy: -1520.470
where: short stacking energy: -637.547
Base-Backbone interact. energy: -2.546
local terms energy: -609.032676
where:
bonds (distance) C4'-P energy: -99.574
bonds (distance) P-C4' energy: -108.393
flat angles C4'-P-C4' energy: -142.278
flat angles P-C4'-P energy: -78.791
tors. eta vs tors. theta energy: -179.996
Dist. restrs. and SS energy: 16.936 (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: 118
Temperature: 1.300000
Total energy: -2016.431938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.431938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.069091 (E_RNA)
where:
Base-Base interactions energy: -1383.547
where: short stacking energy: -583.501
Base-Backbone interact. energy: -2.121
local terms energy: -644.400557
where:
bonds (distance) C4'-P energy: -118.436
bonds (distance) P-C4' energy: -124.185
flat angles C4'-P-C4' energy: -143.540
flat angles P-C4'-P energy: -94.165
tors. eta vs tors. theta energy: -164.074
Dist. restrs. and SS energy: 13.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -1908.189296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.189296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.366131 (E_RNA)
where:
Base-Base interactions energy: -1375.442
where: short stacking energy: -572.965
Base-Backbone interact. energy: 0.332
local terms energy: -562.256294
where:
bonds (distance) C4'-P energy: -92.621
bonds (distance) P-C4' energy: -106.243
flat angles C4'-P-C4' energy: -131.497
flat angles P-C4'-P energy: -71.151
tors. eta vs tors. theta energy: -160.744
Dist. restrs. and SS energy: 29.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -2707.824264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.824264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.552453 (E_RNA)
where:
Base-Base interactions energy: -1894.630
where: short stacking energy: -818.087
Base-Backbone interact. energy: -3.378
local terms energy: -815.544192
where:
bonds (distance) C4'-P energy: -141.824
bonds (distance) P-C4' energy: -161.303
flat angles C4'-P-C4' energy: -161.859
flat angles P-C4'-P energy: -115.019
tors. eta vs tors. theta energy: -235.539
Dist. restrs. and SS energy: 5.728 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -2635.005728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.005728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.582456 (E_RNA)
where:
Base-Base interactions energy: -1838.908
where: short stacking energy: -800.968
Base-Backbone interact. energy: -2.368
local terms energy: -798.306583
where:
bonds (distance) C4'-P energy: -135.309
bonds (distance) P-C4' energy: -150.168
flat angles C4'-P-C4' energy: -156.867
flat angles P-C4'-P energy: -114.048
tors. eta vs tors. theta energy: -241.914
Dist. restrs. and SS energy: 4.577 (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: 119
Temperature: 1.000000
Total energy: -2577.776845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.776845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.345035 (E_RNA)
where:
Base-Base interactions energy: -1812.629
where: short stacking energy: -748.670
Base-Backbone interact. energy: -2.142
local terms energy: -767.573984
where:
bonds (distance) C4'-P energy: -130.354
bonds (distance) P-C4' energy: -136.143
flat angles C4'-P-C4' energy: -167.181
flat angles P-C4'-P energy: -103.011
tors. eta vs tors. theta energy: -230.886
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: 119
Temperature: 1.050000
Total energy: -2490.050133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.050133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.313845 (E_RNA)
where:
Base-Base interactions energy: -1735.668
where: short stacking energy: -735.656
Base-Backbone interact. energy: -3.634
local terms energy: -760.011746
where:
bonds (distance) C4'-P energy: -131.770
bonds (distance) P-C4' energy: -135.475
flat angles C4'-P-C4' energy: -167.590
flat angles P-C4'-P energy: -101.497
tors. eta vs tors. theta energy: -223.680
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: 5, replica: 9
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -2365.056516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.056516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.968600 (E_RNA)
where:
Base-Base interactions energy: -1670.034
where: short stacking energy: -715.114
Base-Backbone interact. energy: -2.004
local terms energy: -702.930456
where:
bonds (distance) C4'-P energy: -132.368
bonds (distance) P-C4' energy: -117.026
flat angles C4'-P-C4' energy: -153.341
flat angles P-C4'-P energy: -95.831
tors. eta vs tors. theta energy: -204.364
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: 6, replica: 3
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -2291.133464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.133464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.360470 (E_RNA)
where:
Base-Base interactions energy: -1631.100
where: short stacking energy: -701.488
Base-Backbone interact. energy: -0.193
local terms energy: -669.067862
where:
bonds (distance) C4'-P energy: -119.826
bonds (distance) P-C4' energy: -122.714
flat angles C4'-P-C4' energy: -137.249
flat angles P-C4'-P energy: -81.695
tors. eta vs tors. theta energy: -207.583
Dist. restrs. and SS energy: 9.227 (S_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: 119
Temperature: 1.200000
Total energy: -2176.643083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.643083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.429727 (E_RNA)
where:
Base-Base interactions energy: -1560.617
where: short stacking energy: -625.584
Base-Backbone interact. energy: -2.312
local terms energy: -625.501251
where:
bonds (distance) C4'-P energy: -110.095
bonds (distance) P-C4' energy: -111.498
flat angles C4'-P-C4' energy: -125.804
flat angles P-C4'-P energy: -93.830
tors. eta vs tors. theta energy: -184.274
Dist. restrs. and SS energy: 11.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -2210.782106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.782106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.610156 (E_RNA)
where:
Base-Base interactions energy: -1542.086
where: short stacking energy: -628.548
Base-Backbone interact. energy: -3.203
local terms energy: -678.321725
where:
bonds (distance) C4'-P energy: -117.923
bonds (distance) P-C4' energy: -127.874
flat angles C4'-P-C4' energy: -144.060
flat angles P-C4'-P energy: -96.677
tors. eta vs tors. theta energy: -191.787
Dist. restrs. and SS energy: 12.828 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -2021.325157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.325157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.930649 (E_RNA)
where:
Base-Base interactions energy: -1408.634
where: short stacking energy: -586.335
Base-Backbone interact. energy: 1.724
local terms energy: -631.020756
where:
bonds (distance) C4'-P energy: -102.709
bonds (distance) P-C4' energy: -133.880
flat angles C4'-P-C4' energy: -131.056
flat angles P-C4'-P energy: -95.525
tors. eta vs tors. theta energy: -167.851
Dist. restrs. and SS energy: 16.605 (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: 6
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -2010.435700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.435700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.806480 (E_RNA)
where:
Base-Base interactions energy: -1468.069
where: short stacking energy: -592.016
Base-Backbone interact. energy: 1.129
local terms energy: -561.866353
where:
bonds (distance) C4'-P energy: -100.466
bonds (distance) P-C4' energy: -104.530
flat angles C4'-P-C4' energy: -119.818
flat angles P-C4'-P energy: -80.316
tors. eta vs tors. theta energy: -156.735
Dist. restrs. and SS energy: 18.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -2726.050107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.050107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.824343 (E_RNA)
where:
Base-Base interactions energy: -1902.987
where: short stacking energy: -833.541
Base-Backbone interact. energy: -0.836
local terms energy: -825.000991
where:
bonds (distance) C4'-P energy: -145.695
bonds (distance) P-C4' energy: -150.046
flat angles C4'-P-C4' energy: -166.538
flat angles P-C4'-P energy: -114.119
tors. eta vs tors. theta energy: -248.602
Dist. restrs. and SS energy: 2.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -2671.192399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.192399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.836372 (E_RNA)
where:
Base-Base interactions energy: -1875.402
where: short stacking energy: -810.194
Base-Backbone interact. energy: -5.400
local terms energy: -793.034640
where:
bonds (distance) C4'-P energy: -131.170
bonds (distance) P-C4' energy: -148.867
flat angles C4'-P-C4' energy: -165.913
flat angles P-C4'-P energy: -104.615
tors. eta vs tors. theta energy: -242.469
Dist. restrs. and SS energy: 2.644 (S_DIST_RNA)
chem. 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: -2551.048631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.048631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.906740 (E_RNA)
where:
Base-Base interactions energy: -1802.940
where: short stacking energy: -747.481
Base-Backbone interact. energy: -2.475
local terms energy: -749.492504
where:
bonds (distance) C4'-P energy: -116.191
bonds (distance) P-C4' energy: -126.311
flat angles C4'-P-C4' energy: -165.546
flat angles P-C4'-P energy: -111.956
tors. eta vs tors. theta energy: -229.489
Dist. restrs. and SS energy: 3.858 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -2514.735572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.735572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.212489 (E_RNA)
where:
Base-Base interactions energy: -1764.527
where: short stacking energy: -738.219
Base-Backbone interact. energy: -0.604
local terms energy: -756.081983
where:
bonds (distance) C4'-P energy: -133.000
bonds (distance) P-C4' energy: -133.035
flat angles C4'-P-C4' energy: -156.566
flat angles P-C4'-P energy: -101.703
tors. eta vs tors. theta energy: -231.778
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: 5, replica: 9
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -2328.149549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.149549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.128954 (E_RNA)
where:
Base-Base interactions energy: -1621.412
where: short stacking energy: -690.447
Base-Backbone interact. energy: -0.509
local terms energy: -718.207410
where:
bonds (distance) C4'-P energy: -139.863
bonds (distance) P-C4' energy: -131.419
flat angles C4'-P-C4' energy: -150.037
flat angles P-C4'-P energy: -97.469
tors. eta vs tors. theta energy: -199.419
Dist. restrs. and SS energy: 11.979 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -2353.716717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.716717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.272957 (E_RNA)
where:
Base-Base interactions energy: -1636.836
where: short stacking energy: -672.528
Base-Backbone interact. energy: -1.386
local terms energy: -728.050612
where:
bonds (distance) C4'-P energy: -115.491
bonds (distance) P-C4' energy: -143.275
flat angles C4'-P-C4' energy: -160.832
flat angles P-C4'-P energy: -100.452
tors. eta vs tors. theta energy: -208.001
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: 7, replica: 5
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -2226.334382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.334382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.575828 (E_RNA)
where:
Base-Base interactions energy: -1539.071
where: short stacking energy: -611.758
Base-Backbone interact. energy: -1.428
local terms energy: -699.077038
where:
bonds (distance) C4'-P energy: -122.875
bonds (distance) P-C4' energy: -134.094
flat angles C4'-P-C4' energy: -145.103
flat angles P-C4'-P energy: -105.119
tors. eta vs tors. theta energy: -191.887
Dist. restrs. and SS energy: 13.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -2156.027532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.027532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.667949 (E_RNA)
where:
Base-Base interactions energy: -1538.144
where: short stacking energy: -652.934
Base-Backbone interact. energy: 3.065
local terms energy: -640.588563
where:
bonds (distance) C4'-P energy: -117.706
bonds (distance) P-C4' energy: -107.178
flat angles C4'-P-C4' energy: -146.236
flat angles P-C4'-P energy: -82.896
tors. eta vs tors. theta energy: -186.572
Dist. restrs. and SS energy: 19.640 (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: 6
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -1981.969455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.969455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.902144 (E_RNA)
where:
Base-Base interactions energy: -1429.449
where: short stacking energy: -607.841
Base-Backbone interact. energy: -3.784
local terms energy: -567.669684
where:
bonds (distance) C4'-P energy: -97.329
bonds (distance) P-C4' energy: -103.179
flat angles C4'-P-C4' energy: -129.202
flat angles P-C4'-P energy: -71.164
tors. eta vs tors. theta energy: -166.796
Dist. restrs. and SS energy: 18.933 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -1968.023398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.023398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.523520 (E_RNA)
where:
Base-Base interactions energy: -1409.139
where: short stacking energy: -593.239
Base-Backbone interact. energy: 1.965
local terms energy: -571.349197
where:
bonds (distance) C4'-P energy: -94.171
bonds (distance) P-C4' energy: -108.977
flat angles C4'-P-C4' energy: -132.538
flat angles P-C4'-P energy: -75.218
tors. eta vs tors. theta energy: -160.446
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: 1, replica: 2
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -2716.568014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.568014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.437305 (E_RNA)
where:
Base-Base interactions energy: -1895.969
where: short stacking energy: -829.626
Base-Backbone interact. energy: -1.885
local terms energy: -822.583321
where:
bonds (distance) C4'-P energy: -148.835
bonds (distance) P-C4' energy: -157.814
flat angles C4'-P-C4' energy: -159.302
flat angles P-C4'-P energy: -112.324
tors. eta vs tors. theta energy: -244.308
Dist. restrs. and SS energy: 3.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -2642.570004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.570004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.968659 (E_RNA)
where:
Base-Base interactions energy: -1869.356
where: short stacking energy: -807.516
Base-Backbone interact. energy: -4.761
local terms energy: -772.851590
where:
bonds (distance) C4'-P energy: -121.787
bonds (distance) P-C4' energy: -146.363
flat angles C4'-P-C4' energy: -164.899
flat angles P-C4'-P energy: -104.405
tors. eta vs tors. theta energy: -235.398
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: 3, replica: 8
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -2566.525892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.525892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.073147 (E_RNA)
where:
Base-Base interactions energy: -1790.461
where: short stacking energy: -767.303
Base-Backbone interact. energy: 0.234
local terms energy: -780.845750
where:
bonds (distance) C4'-P energy: -133.542
bonds (distance) P-C4' energy: -140.753
flat angles C4'-P-C4' energy: -171.206
flat angles P-C4'-P energy: -110.091
tors. eta vs tors. theta energy: -225.254
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: 121
Temperature: 1.050000
Total energy: -2473.820958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.820958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.814983 (E_RNA)
where:
Base-Base interactions energy: -1732.729
where: short stacking energy: -732.199
Base-Backbone interact. energy: 3.069
local terms energy: -753.154720
where:
bonds (distance) C4'-P energy: -140.499
bonds (distance) P-C4' energy: -127.166
flat angles C4'-P-C4' energy: -159.506
flat angles P-C4'-P energy: -100.007
tors. eta vs tors. theta energy: -225.977
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: 5, replica: 9
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -2315.583145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.583145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.306766 (E_RNA)
where:
Base-Base interactions energy: -1635.557
where: short stacking energy: -685.245
Base-Backbone interact. energy: 0.048
local terms energy: -691.797666
where:
bonds (distance) C4'-P energy: -126.574
bonds (distance) P-C4' energy: -125.671
flat angles C4'-P-C4' energy: -156.285
flat angles P-C4'-P energy: -94.399
tors. eta vs tors. theta energy: -188.869
Dist. restrs. and SS energy: 11.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -2314.341094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.341094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.228126 (E_RNA)
where:
Base-Base interactions energy: -1631.892
where: short stacking energy: -684.625
Base-Backbone interact. energy: -2.197
local terms energy: -689.139652
where:
bonds (distance) C4'-P energy: -137.669
bonds (distance) P-C4' energy: -120.587
flat angles C4'-P-C4' energy: -150.290
flat angles P-C4'-P energy: -84.521
tors. eta vs tors. theta energy: -196.072
Dist. restrs. and SS energy: 8.887 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -2235.003591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.003591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.196416 (E_RNA)
where:
Base-Base interactions energy: -1615.781
where: short stacking energy: -676.497
Base-Backbone interact. energy: -1.295
local terms energy: -634.120222
where:
bonds (distance) C4'-P energy: -104.560
bonds (distance) P-C4' energy: -122.709
flat angles C4'-P-C4' energy: -141.449
flat angles P-C4'-P energy: -77.779
tors. eta vs tors. theta energy: -187.623
Dist. restrs. and SS energy: 16.193 (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: 7
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -2170.506899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.506899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.363488 (E_RNA)
where:
Base-Base interactions energy: -1532.801
where: short stacking energy: -656.664
Base-Backbone interact. energy: -1.405
local terms energy: -651.158090
where:
bonds (distance) C4'-P energy: -128.028
bonds (distance) P-C4' energy: -112.970
flat angles C4'-P-C4' energy: -137.315
flat angles P-C4'-P energy: -94.007
tors. eta vs tors. theta energy: -178.839
Dist. restrs. and SS energy: 14.857 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -2020.345904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.345904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.260913 (E_RNA)
where:
Base-Base interactions energy: -1432.457
where: short stacking energy: -617.519
Base-Backbone interact. energy: -4.192
local terms energy: -602.612039
where:
bonds (distance) C4'-P energy: -96.904
bonds (distance) P-C4' energy: -113.228
flat angles C4'-P-C4' energy: -133.598
flat angles P-C4'-P energy: -82.726
tors. eta vs tors. theta energy: -176.156
Dist. restrs. and SS energy: 18.915 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -1993.093925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.093925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.799805 (E_RNA)
where:
Base-Base interactions energy: -1434.249
where: short stacking energy: -593.371
Base-Backbone interact. energy: -0.315
local terms energy: -575.236322
where:
bonds (distance) C4'-P energy: -97.950
bonds (distance) P-C4' energy: -101.765
flat angles C4'-P-C4' energy: -125.516
flat angles P-C4'-P energy: -91.044
tors. eta vs tors. theta energy: -158.960
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: 1, replica: 2
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -2704.834951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.834951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.524169 (E_RNA)
where:
Base-Base interactions energy: -1901.582
where: short stacking energy: -822.897
Base-Backbone interact. energy: -0.915
local terms energy: -808.027134
where:
bonds (distance) C4'-P energy: -144.916
bonds (distance) P-C4' energy: -141.105
flat angles C4'-P-C4' energy: -165.348
flat angles P-C4'-P energy: -111.471
tors. eta vs tors. theta energy: -245.187
Dist. restrs. and SS energy: 5.689 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -2623.966243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.966243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.094347 (E_RNA)
where:
Base-Base interactions energy: -1835.875
where: short stacking energy: -794.489
Base-Backbone interact. energy: -2.134
local terms energy: -789.085502
where:
bonds (distance) C4'-P energy: -129.773
bonds (distance) P-C4' energy: -141.373
flat angles C4'-P-C4' energy: -163.050
flat angles P-C4'-P energy: -119.669
tors. eta vs tors. theta energy: -235.221
Dist. restrs. and SS energy: 3.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -2563.107495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.107495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.776124 (E_RNA)
where:
Base-Base interactions energy: -1790.063
where: short stacking energy: -765.792
Base-Backbone interact. energy: -0.206
local terms energy: -776.507289
where:
bonds (distance) C4'-P energy: -130.761
bonds (distance) P-C4' energy: -116.078
flat angles C4'-P-C4' energy: -174.019
flat angles P-C4'-P energy: -125.744
tors. eta vs tors. theta energy: -229.906
Dist. restrs. and SS energy: 3.669 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -2512.999730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.999730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.450040 (E_RNA)
where:
Base-Base interactions energy: -1766.467
where: short stacking energy: -738.481
Base-Backbone interact. energy: -3.327
local terms energy: -749.656796
where:
bonds (distance) C4'-P energy: -124.230
bonds (distance) P-C4' energy: -138.455
flat angles C4'-P-C4' energy: -153.174
flat angles P-C4'-P energy: -107.199
tors. eta vs tors. theta energy: -226.598
Dist. restrs. and SS energy: 6.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -2399.428688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.428688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.577166 (E_RNA)
where:
Base-Base interactions energy: -1690.944
where: short stacking energy: -678.971
Base-Backbone interact. energy: -0.850
local terms energy: -716.783662
where:
bonds (distance) C4'-P energy: -126.588
bonds (distance) P-C4' energy: -137.482
flat angles C4'-P-C4' energy: -148.702
flat angles P-C4'-P energy: -92.809
tors. eta vs tors. theta energy: -211.203
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: 122
Temperature: 1.150000
Total energy: -2269.959904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.959904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.491629 (E_RNA)
where:
Base-Base interactions energy: -1601.936
where: short stacking energy: -675.836
Base-Backbone interact. energy: -3.470
local terms energy: -681.086520
where:
bonds (distance) C4'-P energy: -129.311
bonds (distance) P-C4' energy: -103.600
flat angles C4'-P-C4' energy: -153.791
flat angles P-C4'-P energy: -102.977
tors. eta vs tors. theta energy: -191.408
Dist. restrs. and SS energy: 16.532 (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: 122
Temperature: 1.200000
Total energy: -2252.018715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.018715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.723385 (E_RNA)
where:
Base-Base interactions energy: -1615.401
where: short stacking energy: -690.526
Base-Backbone interact. energy: 0.573
local terms energy: -649.895315
where:
bonds (distance) C4'-P energy: -119.302
bonds (distance) P-C4' energy: -123.164
flat angles C4'-P-C4' energy: -136.208
flat angles P-C4'-P energy: -74.601
tors. eta vs tors. theta energy: -196.620
Dist. restrs. and SS energy: 12.705 (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: 5
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -2154.948507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.948507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.380384 (E_RNA)
where:
Base-Base interactions energy: -1527.756
where: short stacking energy: -616.269
Base-Backbone interact. energy: -4.246
local terms energy: -635.378099
where:
bonds (distance) C4'-P energy: -113.991
bonds (distance) P-C4' energy: -115.869
flat angles C4'-P-C4' energy: -138.583
flat angles P-C4'-P energy: -93.958
tors. eta vs tors. theta energy: -172.978
Dist. restrs. and SS energy: 12.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -1989.705191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.705191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.536711 (E_RNA)
where:
Base-Base interactions energy: -1419.871
where: short stacking energy: -593.203
Base-Backbone interact. energy: -3.721
local terms energy: -591.944656
where:
bonds (distance) C4'-P energy: -105.821
bonds (distance) P-C4' energy: -120.228
flat angles C4'-P-C4' energy: -137.313
flat angles P-C4'-P energy: -65.558
tors. eta vs tors. theta energy: -163.025
Dist. restrs. and SS energy: 25.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -1929.872394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.872394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.743189 (E_RNA)
where:
Base-Base interactions energy: -1376.582
where: short stacking energy: -553.365
Base-Backbone interact. energy: 3.849
local terms energy: -570.009445
where:
bonds (distance) C4'-P energy: -128.756
bonds (distance) P-C4' energy: -112.438
flat angles C4'-P-C4' energy: -115.809
flat angles P-C4'-P energy: -63.765
tors. eta vs tors. theta energy: -149.241
Dist. restrs. and SS energy: 12.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -2721.691890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.691890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.967255 (E_RNA)
where:
Base-Base interactions energy: -1880.806
where: short stacking energy: -820.553
Base-Backbone interact. energy: -3.135
local terms energy: -841.026426
where:
bonds (distance) C4'-P energy: -148.261
bonds (distance) P-C4' energy: -147.155
flat angles C4'-P-C4' energy: -170.697
flat angles P-C4'-P energy: -123.494
tors. eta vs tors. theta energy: -251.420
Dist. restrs. and SS energy: 3.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -2622.025996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.025996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.809262 (E_RNA)
where:
Base-Base interactions energy: -1804.550
where: short stacking energy: -772.959
Base-Backbone interact. energy: -2.668
local terms energy: -819.591021
where:
bonds (distance) C4'-P energy: -154.834
bonds (distance) P-C4' energy: -136.043
flat angles C4'-P-C4' energy: -166.655
flat angles P-C4'-P energy: -121.324
tors. eta vs tors. theta energy: -240.736
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: 10
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -2571.534494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.534494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.140860 (E_RNA)
where:
Base-Base interactions energy: -1811.917
where: short stacking energy: -774.883
Base-Backbone interact. energy: 0.975
local terms energy: -764.198818
where:
bonds (distance) C4'-P energy: -117.550
bonds (distance) P-C4' energy: -148.735
flat angles C4'-P-C4' energy: -169.688
flat angles P-C4'-P energy: -105.560
tors. eta vs tors. theta energy: -222.666
Dist. restrs. and SS energy: 3.606 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -2509.086105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.086105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.743067 (E_RNA)
where:
Base-Base interactions energy: -1747.738
where: short stacking energy: -741.078
Base-Backbone interact. energy: -4.094
local terms energy: -763.910408
where:
bonds (distance) C4'-P energy: -120.493
bonds (distance) P-C4' energy: -131.951
flat angles C4'-P-C4' energy: -159.683
flat angles P-C4'-P energy: -122.145
tors. eta vs tors. theta energy: -229.638
Dist. restrs. and SS energy: 6.657 (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: 123
Temperature: 1.100000
Total energy: -2390.514442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.514442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.262119 (E_RNA)
where:
Base-Base interactions energy: -1696.390
where: short stacking energy: -717.390
Base-Backbone interact. energy: -3.850
local terms energy: -703.021565
where:
bonds (distance) C4'-P energy: -102.225
bonds (distance) P-C4' energy: -136.403
flat angles C4'-P-C4' energy: -154.992
flat angles P-C4'-P energy: -99.094
tors. eta vs tors. theta energy: -210.308
Dist. restrs. and SS energy: 12.748 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -2328.827201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.827201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.413845 (E_RNA)
where:
Base-Base interactions energy: -1637.484
where: short stacking energy: -696.207
Base-Backbone interact. energy: -2.345
local terms energy: -699.585078
where:
bonds (distance) C4'-P energy: -125.432
bonds (distance) P-C4' energy: -125.010
flat angles C4'-P-C4' energy: -153.791
flat angles P-C4'-P energy: -90.720
tors. eta vs tors. theta energy: -204.632
Dist. restrs. and SS energy: 10.587 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -2208.579306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.579306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.458637 (E_RNA)
where:
Base-Base interactions energy: -1567.414
where: short stacking energy: -642.506
Base-Backbone interact. energy: -3.446
local terms energy: -658.598100
where:
bonds (distance) C4'-P energy: -115.803
bonds (distance) P-C4' energy: -102.716
flat angles C4'-P-C4' energy: -151.089
flat angles P-C4'-P energy: -104.865
tors. eta vs tors. theta energy: -184.125
Dist. restrs. and SS energy: 20.879 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -2120.515727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.515727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.182752 (E_RNA)
where:
Base-Base interactions energy: -1513.096
where: short stacking energy: -630.464
Base-Backbone interact. energy: 3.570
local terms energy: -625.656092
where:
bonds (distance) C4'-P energy: -110.526
bonds (distance) P-C4' energy: -112.451
flat angles C4'-P-C4' energy: -135.979
flat angles P-C4'-P energy: -86.004
tors. eta vs tors. theta energy: -180.697
Dist. restrs. and SS energy: 14.667 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -2014.844113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.844113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.466626 (E_RNA)
where:
Base-Base interactions energy: -1442.310
where: short stacking energy: -568.936
Base-Backbone interact. energy: 2.552
local terms energy: -599.708706
where:
bonds (distance) C4'-P energy: -98.908
bonds (distance) P-C4' energy: -110.870
flat angles C4'-P-C4' energy: -137.273
flat angles P-C4'-P energy: -77.546
tors. eta vs tors. theta energy: -175.112
Dist. restrs. and SS energy: 24.623 (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: 4
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -1950.171114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.171114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.759607 (E_RNA)
where:
Base-Base interactions energy: -1393.454
where: short stacking energy: -562.553
Base-Backbone interact. energy: 4.342
local terms energy: -573.647257
where:
bonds (distance) C4'-P energy: -112.015
bonds (distance) P-C4' energy: -95.570
flat angles C4'-P-C4' energy: -131.057
flat angles P-C4'-P energy: -92.153
tors. eta vs tors. theta energy: -142.853
Dist. restrs. and SS energy: 12.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -2737.401929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.401929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.004730 (E_RNA)
where:
Base-Base interactions energy: -1900.795
where: short stacking energy: -828.432
Base-Backbone interact. energy: -5.037
local terms energy: -836.173008
where:
bonds (distance) C4'-P energy: -145.260
bonds (distance) P-C4' energy: -147.198
flat angles C4'-P-C4' energy: -168.692
flat angles P-C4'-P energy: -126.750
tors. eta vs tors. theta energy: -248.272
Dist. restrs. and SS energy: 4.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -2636.877833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.877833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.866778 (E_RNA)
where:
Base-Base interactions energy: -1842.142
where: short stacking energy: -780.208
Base-Backbone interact. energy: -3.384
local terms energy: -794.340535
where:
bonds (distance) C4'-P energy: -146.533
bonds (distance) P-C4' energy: -126.115
flat angles C4'-P-C4' energy: -168.475
flat angles P-C4'-P energy: -110.639
tors. eta vs tors. theta energy: -242.578
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: 3, replica: 10
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -2599.449308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.449308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.345017 (E_RNA)
where:
Base-Base interactions energy: -1806.457
where: short stacking energy: -769.166
Base-Backbone interact. energy: -2.928
local terms energy: -792.960587
where:
bonds (distance) C4'-P energy: -138.110
bonds (distance) P-C4' energy: -145.040
flat angles C4'-P-C4' energy: -152.374
flat angles P-C4'-P energy: -115.886
tors. eta vs tors. theta energy: -241.550
Dist. restrs. and SS energy: 2.896 (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: 1
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -2499.829084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.829084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.435059 (E_RNA)
where:
Base-Base interactions energy: -1758.258
where: short stacking energy: -734.148
Base-Backbone interact. energy: -4.075
local terms energy: -745.101322
where:
bonds (distance) C4'-P energy: -119.127
bonds (distance) P-C4' energy: -138.205
flat angles C4'-P-C4' energy: -162.973
flat angles P-C4'-P energy: -109.605
tors. eta vs tors. theta energy: -215.191
Dist. restrs. and SS energy: 7.606 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -2367.557588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.557588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.277308 (E_RNA)
where:
Base-Base interactions energy: -1679.876
where: short stacking energy: -695.616
Base-Backbone interact. energy: -0.010
local terms energy: -694.391619
where:
bonds (distance) C4'-P energy: -119.346
bonds (distance) P-C4' energy: -129.309
flat angles C4'-P-C4' energy: -161.372
flat angles P-C4'-P energy: -92.435
tors. eta vs tors. theta energy: -191.929
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: 6, replica: 9
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -2330.217194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.217194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.988276 (E_RNA)
where:
Base-Base interactions energy: -1643.902
where: short stacking energy: -708.847
Base-Backbone interact. energy: -0.229
local terms energy: -697.856928
where:
bonds (distance) C4'-P energy: -125.534
bonds (distance) P-C4' energy: -125.533
flat angles C4'-P-C4' energy: -143.644
flat angles P-C4'-P energy: -94.556
tors. eta vs tors. theta energy: -208.589
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: 7, replica: 7
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -2225.563111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.563111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.603310 (E_RNA)
where:
Base-Base interactions energy: -1546.093
where: short stacking energy: -644.241
Base-Backbone interact. energy: -4.152
local terms energy: -683.358462
where:
bonds (distance) C4'-P energy: -129.315
bonds (distance) P-C4' energy: -140.956
flat angles C4'-P-C4' energy: -141.116
flat angles P-C4'-P energy: -87.107
tors. eta vs tors. theta energy: -184.864
Dist. restrs. and SS energy: 8.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -2091.740315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.740315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.794106 (E_RNA)
where:
Base-Base interactions energy: -1485.891
where: short stacking energy: -598.642
Base-Backbone interact. energy: -0.012
local terms energy: -615.891016
where:
bonds (distance) C4'-P energy: -112.982
bonds (distance) P-C4' energy: -129.354
flat angles C4'-P-C4' energy: -123.422
flat angles P-C4'-P energy: -86.416
tors. eta vs tors. theta energy: -163.717
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: 9, replica: 6
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -2000.105370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.105370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.898626 (E_RNA)
where:
Base-Base interactions energy: -1453.687
where: short stacking energy: -607.595
Base-Backbone interact. energy: -1.261
local terms energy: -561.950312
where:
bonds (distance) C4'-P energy: -100.258
bonds (distance) P-C4' energy: -91.981
flat angles C4'-P-C4' energy: -122.200
flat angles P-C4'-P energy: -76.892
tors. eta vs tors. theta energy: -170.619
Dist. restrs. and SS energy: 16.793 (S_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: -1952.343402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.343402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.743173 (E_RNA)
where:
Base-Base interactions energy: -1402.520
where: short stacking energy: -582.269
Base-Backbone interact. energy: 0.388
local terms energy: -565.610597
where:
bonds (distance) C4'-P energy: -103.339
bonds (distance) P-C4' energy: -124.935
flat angles C4'-P-C4' energy: -126.372
flat angles P-C4'-P energy: -70.141
tors. eta vs tors. theta energy: -140.824
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: 2
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -2735.797545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.797545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2741.934711 (E_RNA)
where:
Base-Base interactions energy: -1896.580
where: short stacking energy: -814.751
Base-Backbone interact. energy: 0.042
local terms energy: -845.396599
where:
bonds (distance) C4'-P energy: -160.105
bonds (distance) P-C4' energy: -142.558
flat angles C4'-P-C4' energy: -173.759
flat angles P-C4'-P energy: -118.718
tors. eta vs tors. theta energy: -250.256
Dist. restrs. and SS energy: 6.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -2651.447666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.447666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.610133 (E_RNA)
where:
Base-Base interactions energy: -1838.953
where: short stacking energy: -790.858
Base-Backbone interact. energy: -1.479
local terms energy: -813.178375
where:
bonds (distance) C4'-P energy: -140.390
bonds (distance) P-C4' energy: -140.649
flat angles C4'-P-C4' energy: -173.287
flat angles P-C4'-P energy: -114.803
tors. eta vs tors. theta energy: -244.050
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: 3, replica: 10
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -2572.493814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.493814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.282728 (E_RNA)
where:
Base-Base interactions energy: -1778.753
where: short stacking energy: -743.082
Base-Backbone interact. energy: -2.119
local terms energy: -793.410691
where:
bonds (distance) C4'-P energy: -140.525
bonds (distance) P-C4' energy: -141.620
flat angles C4'-P-C4' energy: -165.998
flat angles P-C4'-P energy: -111.218
tors. eta vs tors. theta energy: -234.050
Dist. restrs. and SS energy: 1.789 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -2522.527630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.527630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.850216 (E_RNA)
where:
Base-Base interactions energy: -1748.566
where: short stacking energy: -759.885
Base-Backbone interact. energy: -3.974
local terms energy: -779.310578
where:
bonds (distance) C4'-P energy: -138.455
bonds (distance) P-C4' energy: -120.547
flat angles C4'-P-C4' energy: -168.254
flat angles P-C4'-P energy: -117.874
tors. eta vs tors. theta energy: -234.180
Dist. restrs. and SS energy: 9.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -2332.866331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.866331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.166967 (E_RNA)
where:
Base-Base interactions energy: -1636.449
where: short stacking energy: -691.652
Base-Backbone interact. energy: -2.127
local terms energy: -700.590932
where:
bonds (distance) C4'-P energy: -115.562
bonds (distance) P-C4' energy: -133.484
flat angles C4'-P-C4' energy: -162.009
flat angles P-C4'-P energy: -99.596
tors. eta vs tors. theta energy: -189.940
Dist. restrs. and SS energy: 6.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -2327.580115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.580115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.081741 (E_RNA)
where:
Base-Base interactions energy: -1641.004
where: short stacking energy: -672.408
Base-Backbone interact. energy: 1.221
local terms energy: -698.297860
where:
bonds (distance) C4'-P energy: -129.281
bonds (distance) P-C4' energy: -133.763
flat angles C4'-P-C4' energy: -155.484
flat angles P-C4'-P energy: -81.799
tors. eta vs tors. theta energy: -197.971
Dist. restrs. and SS energy: 10.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -2267.389527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.389527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.171332 (E_RNA)
where:
Base-Base interactions energy: -1609.533
where: short stacking energy: -671.206
Base-Backbone interact. energy: -0.780
local terms energy: -669.858401
where:
bonds (distance) C4'-P energy: -114.176
bonds (distance) P-C4' energy: -135.199
flat angles C4'-P-C4' energy: -135.094
flat angles P-C4'-P energy: -98.462
tors. eta vs tors. theta energy: -186.927
Dist. restrs. and SS energy: 12.782 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -2078.128255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.128255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.689808 (E_RNA)
where:
Base-Base interactions energy: -1454.638
where: short stacking energy: -624.553
Base-Backbone interact. energy: 2.832
local terms energy: -637.883868
where:
bonds (distance) C4'-P energy: -118.164
bonds (distance) P-C4' energy: -95.396
flat angles C4'-P-C4' energy: -144.204
flat angles P-C4'-P energy: -95.966
tors. eta vs tors. theta energy: -184.154
Dist. restrs. and SS energy: 11.562 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -2038.802035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.802035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.783125 (E_RNA)
where:
Base-Base interactions energy: -1449.591
where: short stacking energy: -596.544
Base-Backbone interact. energy: 1.934
local terms energy: -604.126017
where:
bonds (distance) C4'-P energy: -107.261
bonds (distance) P-C4' energy: -110.568
flat angles C4'-P-C4' energy: -139.133
flat angles P-C4'-P energy: -79.793
tors. eta vs tors. theta energy: -167.371
Dist. restrs. and SS energy: 12.981 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -1918.873834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.873834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.514767 (E_RNA)
where:
Base-Base interactions energy: -1362.733
where: short stacking energy: -555.614
Base-Backbone interact. energy: 2.755
local terms energy: -581.536312
where:
bonds (distance) C4'-P energy: -119.075
bonds (distance) P-C4' energy: -97.313
flat angles C4'-P-C4' energy: -136.245
flat angles P-C4'-P energy: -77.019
tors. eta vs tors. theta energy: -151.884
Dist. restrs. and SS energy: 22.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -2743.509855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2743.509855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.487470 (E_RNA)
where:
Base-Base interactions energy: -1922.548
where: short stacking energy: -835.632
Base-Backbone interact. energy: -1.951
local terms energy: -821.989226
where:
bonds (distance) C4'-P energy: -142.080
bonds (distance) P-C4' energy: -155.894
flat angles C4'-P-C4' energy: -178.231
flat angles P-C4'-P energy: -107.886
tors. eta vs tors. theta energy: -237.899
Dist. restrs. and SS energy: 2.978 (S_DIST_RNA)
chem. 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: -2658.206039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.206039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.632292 (E_RNA)
where:
Base-Base interactions energy: -1877.733
where: short stacking energy: -804.108
Base-Backbone interact. energy: -0.808
local terms energy: -784.090904
where:
bonds (distance) C4'-P energy: -134.066
bonds (distance) P-C4' energy: -135.403
flat angles C4'-P-C4' energy: -171.520
flat angles P-C4'-P energy: -100.691
tors. eta vs tors. theta energy: -242.411
Dist. restrs. and SS energy: 4.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -2606.766777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.766777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.451923 (E_RNA)
where:
Base-Base interactions energy: -1827.640
where: short stacking energy: -798.325
Base-Backbone interact. energy: -2.267
local terms energy: -780.545296
where:
bonds (distance) C4'-P energy: -123.707
bonds (distance) P-C4' energy: -144.470
flat angles C4'-P-C4' energy: -168.708
flat angles P-C4'-P energy: -119.539
tors. eta vs tors. theta energy: -224.122
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: 1
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -2498.982335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.982335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.010265 (E_RNA)
where:
Base-Base interactions energy: -1758.368
where: short stacking energy: -774.675
Base-Backbone interact. energy: 3.378
local terms energy: -752.020365
where:
bonds (distance) C4'-P energy: -123.119
bonds (distance) P-C4' energy: -121.456
flat angles C4'-P-C4' energy: -158.381
flat angles P-C4'-P energy: -121.016
tors. eta vs tors. theta energy: -228.048
Dist. restrs. and SS energy: 8.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -2401.304639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.304639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.058257 (E_RNA)
where:
Base-Base interactions energy: -1702.742
where: short stacking energy: -704.758
Base-Backbone interact. energy: -2.953
local terms energy: -701.362792
where:
bonds (distance) C4'-P energy: -124.124
bonds (distance) P-C4' energy: -126.287
flat angles C4'-P-C4' energy: -150.443
flat angles P-C4'-P energy: -99.630
tors. eta vs tors. theta energy: -200.879
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: 6, replica: 9
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -2299.678789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.678789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.969565 (E_RNA)
where:
Base-Base interactions energy: -1610.509
where: short stacking energy: -705.482
Base-Backbone interact. energy: -3.682
local terms energy: -706.778027
where:
bonds (distance) C4'-P energy: -114.326
bonds (distance) P-C4' energy: -126.521
flat angles C4'-P-C4' energy: -156.193
flat angles P-C4'-P energy: -104.375
tors. eta vs tors. theta energy: -205.363
Dist. restrs. and SS energy: 21.291 (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: 7
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -2205.435398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.435398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.152816 (E_RNA)
where:
Base-Base interactions energy: -1563.459
where: short stacking energy: -649.405
Base-Backbone interact. energy: -2.583
local terms energy: -659.110269
where:
bonds (distance) C4'-P energy: -124.900
bonds (distance) P-C4' energy: -112.888
flat angles C4'-P-C4' energy: -144.280
flat angles P-C4'-P energy: -86.112
tors. eta vs tors. theta energy: -190.930
Dist. restrs. and SS energy: 19.717 (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: 5
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -2080.278849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.278849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.315125 (E_RNA)
where:
Base-Base interactions energy: -1442.763
where: short stacking energy: -598.011
Base-Backbone interact. energy: -3.118
local terms energy: -645.433910
where:
bonds (distance) C4'-P energy: -131.785
bonds (distance) P-C4' energy: -125.671
flat angles C4'-P-C4' energy: -123.403
flat angles P-C4'-P energy: -86.759
tors. eta vs tors. theta energy: -177.817
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: 9, replica: 6
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -2107.542289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.542289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.137090 (E_RNA)
where:
Base-Base interactions energy: -1491.759
where: short stacking energy: -625.319
Base-Backbone interact. energy: 6.869
local terms energy: -641.247412
where:
bonds (distance) C4'-P energy: -127.726
bonds (distance) P-C4' energy: -118.682
flat angles C4'-P-C4' energy: -138.220
flat angles P-C4'-P energy: -75.375
tors. eta vs tors. theta energy: -181.244
Dist. restrs. and SS energy: 18.595 (S_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: 126
Temperature: 1.350000
Total energy: -1952.129741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.129741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.014408 (E_RNA)
where:
Base-Base interactions energy: -1415.017
where: short stacking energy: -575.280
Base-Backbone interact. energy: -1.328
local terms energy: -554.668825
where:
bonds (distance) C4'-P energy: -114.092
bonds (distance) P-C4' energy: -81.292
flat angles C4'-P-C4' energy: -127.737
flat angles P-C4'-P energy: -84.055
tors. eta vs tors. theta energy: -147.493
Dist. restrs. and SS energy: 18.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -2731.659102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2731.659102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.745529 (E_RNA)
where:
Base-Base interactions energy: -1916.049
where: short stacking energy: -826.770
Base-Backbone interact. energy: -1.661
local terms energy: -818.035680
where:
bonds (distance) C4'-P energy: -140.422
bonds (distance) P-C4' energy: -146.239
flat angles C4'-P-C4' energy: -165.308
flat angles P-C4'-P energy: -121.746
tors. eta vs tors. theta energy: -244.321
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: 2, replica: 8
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -2661.277279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.277279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.804694 (E_RNA)
where:
Base-Base interactions energy: -1879.448
where: short stacking energy: -799.428
Base-Backbone interact. energy: -2.646
local terms energy: -782.710701
where:
bonds (distance) C4'-P energy: -146.168
bonds (distance) P-C4' energy: -129.077
flat angles C4'-P-C4' energy: -159.880
flat angles P-C4'-P energy: -109.054
tors. eta vs tors. theta energy: -238.531
Dist. restrs. and SS energy: 3.527 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -2580.541816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.541816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.508463 (E_RNA)
where:
Base-Base interactions energy: -1815.234
where: short stacking energy: -779.177
Base-Backbone interact. energy: -1.012
local terms energy: -766.262147
where:
bonds (distance) C4'-P energy: -127.390
bonds (distance) P-C4' energy: -151.839
flat angles C4'-P-C4' energy: -157.728
flat angles P-C4'-P energy: -103.223
tors. eta vs tors. theta energy: -226.081
Dist. restrs. and SS energy: 1.967 (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: 1
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -2493.603714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.603714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.089636 (E_RNA)
where:
Base-Base interactions energy: -1744.823
where: short stacking energy: -746.600
Base-Backbone interact. energy: -4.264
local terms energy: -750.002482
where:
bonds (distance) C4'-P energy: -130.891
bonds (distance) P-C4' energy: -112.127
flat angles C4'-P-C4' energy: -163.406
flat angles P-C4'-P energy: -114.533
tors. eta vs tors. theta energy: -229.045
Dist. restrs. and SS energy: 5.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -2439.904077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.904077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.555898 (E_RNA)
where:
Base-Base interactions energy: -1716.570
where: short stacking energy: -756.132
Base-Backbone interact. energy: -4.216
local terms energy: -726.769838
where:
bonds (distance) C4'-P energy: -128.923
bonds (distance) P-C4' energy: -135.332
flat angles C4'-P-C4' energy: -153.057
flat angles P-C4'-P energy: -91.851
tors. eta vs tors. theta energy: -217.607
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: 6, replica: 9
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -2274.179638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.179638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.417166 (E_RNA)
where:
Base-Base interactions energy: -1601.586
where: short stacking energy: -715.014
Base-Backbone interact. energy: 5.061
local terms energy: -692.892270
where:
bonds (distance) C4'-P energy: -114.160
bonds (distance) P-C4' energy: -117.341
flat angles C4'-P-C4' energy: -161.855
flat angles P-C4'-P energy: -90.884
tors. eta vs tors. theta energy: -208.652
Dist. restrs. and SS energy: 15.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -2216.419185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.419185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.749627 (E_RNA)
where:
Base-Base interactions energy: -1584.460
where: short stacking energy: -666.344
Base-Backbone interact. energy: -1.755
local terms energy: -650.534369
where:
bonds (distance) C4'-P energy: -119.491
bonds (distance) P-C4' energy: -111.737
flat angles C4'-P-C4' energy: -140.531
flat angles P-C4'-P energy: -86.841
tors. eta vs tors. theta energy: -191.934
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: 8, replica: 5
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -2088.943085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.943085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.971930 (E_RNA)
where:
Base-Base interactions energy: -1462.373
where: short stacking energy: -606.335
Base-Backbone interact. energy: 0.284
local terms energy: -643.883061
where:
bonds (distance) C4'-P energy: -104.755
bonds (distance) P-C4' energy: -109.429
flat angles C4'-P-C4' energy: -148.359
flat angles P-C4'-P energy: -100.496
tors. eta vs tors. theta energy: -180.845
Dist. restrs. and SS energy: 17.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -2038.821596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.821596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.274524 (E_RNA)
where:
Base-Base interactions energy: -1464.855
where: short stacking energy: -594.126
Base-Backbone interact. energy: 3.130
local terms energy: -596.549067
where:
bonds (distance) C4'-P energy: -105.172
bonds (distance) P-C4' energy: -111.415
flat angles C4'-P-C4' energy: -145.438
flat angles P-C4'-P energy: -62.942
tors. eta vs tors. theta energy: -171.583
Dist. restrs. and SS energy: 19.453 (S_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: 127
Temperature: 1.350000
Total energy: -1935.145729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.145729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.065643 (E_RNA)
where:
Base-Base interactions energy: -1371.535
where: short stacking energy: -575.476
Base-Backbone interact. energy: -0.706
local terms energy: -581.824752
where:
bonds (distance) C4'-P energy: -116.706
bonds (distance) P-C4' energy: -124.235
flat angles C4'-P-C4' energy: -116.693
flat angles P-C4'-P energy: -74.079
tors. eta vs tors. theta energy: -150.112
Dist. restrs. and SS energy: 18.920 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -2736.717033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.717033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.137648 (E_RNA)
where:
Base-Base interactions energy: -1911.581
where: short stacking energy: -802.607
Base-Backbone interact. energy: 1.785
local terms energy: -833.341446
where:
bonds (distance) C4'-P energy: -139.056
bonds (distance) P-C4' energy: -158.806
flat angles C4'-P-C4' energy: -182.942
flat angles P-C4'-P energy: -112.006
tors. eta vs tors. theta energy: -240.531
Dist. restrs. and SS energy: 6.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -2675.219783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.219783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.730686 (E_RNA)
where:
Base-Base interactions energy: -1861.859
where: short stacking energy: -786.179
Base-Backbone interact. energy: -3.482
local terms energy: -812.389326
where:
bonds (distance) C4'-P energy: -144.807
bonds (distance) P-C4' energy: -144.800
flat angles C4'-P-C4' energy: -175.612
flat angles P-C4'-P energy: -112.608
tors. eta vs tors. theta energy: -234.562
Dist. restrs. and SS energy: 2.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -2588.213246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.213246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.319012 (E_RNA)
where:
Base-Base interactions energy: -1799.767
where: short stacking energy: -754.134
Base-Backbone interact. energy: 0.163
local terms energy: -791.714866
where:
bonds (distance) C4'-P energy: -134.618
bonds (distance) P-C4' energy: -151.580
flat angles C4'-P-C4' energy: -154.392
flat angles P-C4'-P energy: -112.931
tors. eta vs tors. theta energy: -238.193
Dist. restrs. and SS energy: 3.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -2473.106429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.106429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.296125 (E_RNA)
where:
Base-Base interactions energy: -1746.647
where: short stacking energy: -763.379
Base-Backbone interact. energy: -2.339
local terms energy: -730.309945
where:
bonds (distance) C4'-P energy: -124.342
bonds (distance) P-C4' energy: -121.125
flat angles C4'-P-C4' energy: -151.101
flat angles P-C4'-P energy: -109.813
tors. eta vs tors. theta energy: -223.930
Dist. restrs. and SS energy: 6.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -2398.527262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.527262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.613411 (E_RNA)
where:
Base-Base interactions energy: -1674.800
where: short stacking energy: -698.772
Base-Backbone interact. energy: 1.001
local terms energy: -736.814438
where:
bonds (distance) C4'-P energy: -129.845
bonds (distance) P-C4' energy: -139.475
flat angles C4'-P-C4' energy: -161.439
flat angles P-C4'-P energy: -102.411
tors. eta vs tors. theta energy: -203.645
Dist. restrs. and SS energy: 12.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -2282.001509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.001509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.433981 (E_RNA)
where:
Base-Base interactions energy: -1607.508
where: short stacking energy: -697.061
Base-Backbone interact. energy: -0.163
local terms energy: -688.763865
where:
bonds (distance) C4'-P energy: -117.218
bonds (distance) P-C4' energy: -128.610
flat angles C4'-P-C4' energy: -151.839
flat angles P-C4'-P energy: -81.839
tors. eta vs tors. theta energy: -209.258
Dist. restrs. and SS energy: 14.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -2231.098096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.098096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.608405 (E_RNA)
where:
Base-Base interactions energy: -1570.860
where: short stacking energy: -660.801
Base-Backbone interact. energy: -4.376
local terms energy: -667.372846
where:
bonds (distance) C4'-P energy: -115.929
bonds (distance) P-C4' energy: -121.677
flat angles C4'-P-C4' energy: -143.263
flat angles P-C4'-P energy: -91.846
tors. eta vs tors. theta energy: -194.659
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: 8, replica: 5
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -2073.949511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.949511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.351264 (E_RNA)
where:
Base-Base interactions energy: -1453.404
where: short stacking energy: -610.726
Base-Backbone interact. energy: -2.058
local terms energy: -629.888733
where:
bonds (distance) C4'-P energy: -117.375
bonds (distance) P-C4' energy: -121.156
flat angles C4'-P-C4' energy: -125.940
flat angles P-C4'-P energy: -85.169
tors. eta vs tors. theta energy: -180.249
Dist. restrs. and SS energy: 11.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -2034.214079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.214079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.189242 (E_RNA)
where:
Base-Base interactions energy: -1451.479
where: short stacking energy: -602.039
Base-Backbone interact. energy: -2.399
local terms energy: -595.310949
where:
bonds (distance) C4'-P energy: -108.752
bonds (distance) P-C4' energy: -102.437
flat angles C4'-P-C4' energy: -141.683
flat angles P-C4'-P energy: -68.194
tors. eta vs tors. theta energy: -174.246
Dist. restrs. and SS energy: 14.975 (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: 128
Temperature: 1.350000
Total energy: -2017.834478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.834478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.974581 (E_RNA)
where:
Base-Base interactions energy: -1399.575
where: short stacking energy: -573.290
Base-Backbone interact. energy: 1.960
local terms energy: -638.360064
where:
bonds (distance) C4'-P energy: -123.526
bonds (distance) P-C4' energy: -113.920
flat angles C4'-P-C4' energy: -144.263
flat angles P-C4'-P energy: -85.671
tors. eta vs tors. theta energy: -170.979
Dist. restrs. and SS energy: 18.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -2734.672809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.672809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.640559 (E_RNA)
where:
Base-Base interactions energy: -1914.301
where: short stacking energy: -827.086
Base-Backbone interact. energy: 0.856
local terms energy: -824.195397
where:
bonds (distance) C4'-P energy: -139.671
bonds (distance) P-C4' energy: -153.933
flat angles C4'-P-C4' energy: -164.747
flat angles P-C4'-P energy: -120.222
tors. eta vs tors. theta energy: -245.622
Dist. restrs. and SS energy: 2.968 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -2640.343636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.343636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.352348 (E_RNA)
where:
Base-Base interactions energy: -1857.546
where: short stacking energy: -801.699
Base-Backbone interact. energy: 0.295
local terms energy: -788.100905
where:
bonds (distance) C4'-P energy: -141.809
bonds (distance) P-C4' energy: -134.751
flat angles C4'-P-C4' energy: -170.573
flat angles P-C4'-P energy: -110.553
tors. eta vs tors. theta energy: -230.415
Dist. restrs. and SS energy: 5.009 (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: 10
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -2635.180183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.180183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.576173 (E_RNA)
where:
Base-Base interactions energy: -1849.622
where: short stacking energy: -774.753
Base-Backbone interact. energy: -2.906
local terms energy: -786.048179
where:
bonds (distance) C4'-P energy: -138.864
bonds (distance) P-C4' energy: -146.935
flat angles C4'-P-C4' energy: -170.302
flat angles P-C4'-P energy: -105.570
tors. eta vs tors. theta energy: -224.377
Dist. restrs. and SS energy: 3.396 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -2503.480250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.480250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.199681 (E_RNA)
where:
Base-Base interactions energy: -1759.022
where: short stacking energy: -730.454
Base-Backbone interact. energy: -3.419
local terms energy: -747.758547
where:
bonds (distance) C4'-P energy: -130.257
bonds (distance) P-C4' energy: -136.379
flat angles C4'-P-C4' energy: -163.625
flat angles P-C4'-P energy: -106.861
tors. eta vs tors. theta energy: -210.637
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: 5, replica: 3
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -2398.556170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.556170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.553990 (E_RNA)
where:
Base-Base interactions energy: -1696.153
where: short stacking energy: -715.999
Base-Backbone interact. energy: 1.583
local terms energy: -712.984039
where:
bonds (distance) C4'-P energy: -121.227
bonds (distance) P-C4' energy: -124.729
flat angles C4'-P-C4' energy: -156.492
flat angles P-C4'-P energy: -98.994
tors. eta vs tors. theta energy: -211.542
Dist. restrs. and SS energy: 8.998 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -2264.179141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.179141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.761604 (E_RNA)
where:
Base-Base interactions energy: -1596.933
where: short stacking energy: -665.129
Base-Backbone interact. energy: 1.063
local terms energy: -678.892066
where:
bonds (distance) C4'-P energy: -127.857
bonds (distance) P-C4' energy: -131.492
flat angles C4'-P-C4' energy: -134.165
flat angles P-C4'-P energy: -83.426
tors. eta vs tors. theta energy: -201.951
Dist. restrs. and SS energy: 10.582 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -2240.085043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.085043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.882995 (E_RNA)
where:
Base-Base interactions energy: -1598.181
where: short stacking energy: -645.138
Base-Backbone interact. energy: -1.360
local terms energy: -650.342389
where:
bonds (distance) C4'-P energy: -135.831
bonds (distance) P-C4' energy: -108.241
flat angles C4'-P-C4' energy: -145.347
flat angles P-C4'-P energy: -79.824
tors. eta vs tors. theta energy: -181.100
Dist. restrs. and SS energy: 9.798 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -2135.885761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.885761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.641643 (E_RNA)
where:
Base-Base interactions energy: -1482.071
where: short stacking energy: -631.568
Base-Backbone interact. energy: -3.369
local terms energy: -661.201808
where:
bonds (distance) C4'-P energy: -127.900
bonds (distance) P-C4' energy: -120.338
flat angles C4'-P-C4' energy: -140.774
flat angles P-C4'-P energy: -89.322
tors. eta vs tors. theta energy: -182.868
Dist. restrs. and SS energy: 10.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -2039.202533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.202533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.067104 (E_RNA)
where:
Base-Base interactions energy: -1421.735
where: short stacking energy: -580.709
Base-Backbone interact. energy: 0.191
local terms energy: -632.523707
where:
bonds (distance) C4'-P energy: -109.056
bonds (distance) P-C4' energy: -128.673
flat angles C4'-P-C4' energy: -134.782
flat angles P-C4'-P energy: -82.310
tors. eta vs tors. theta energy: -177.702
Dist. restrs. and SS energy: 14.865 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -1973.337637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.337637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.728217 (E_RNA)
where:
Base-Base interactions energy: -1379.371
where: short stacking energy: -581.977
Base-Backbone interact. energy: 0.098
local terms energy: -611.455537
where:
bonds (distance) C4'-P energy: -111.105
bonds (distance) P-C4' energy: -129.079
flat angles C4'-P-C4' energy: -131.791
flat angles P-C4'-P energy: -86.050
tors. eta vs tors. theta energy: -153.431
Dist. restrs. and SS energy: 17.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -2733.201517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.201517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.759943 (E_RNA)
where:
Base-Base interactions energy: -1909.573
where: short stacking energy: -827.531
Base-Backbone interact. energy: 4.105
local terms energy: -830.291836
where:
bonds (distance) C4'-P energy: -154.333
bonds (distance) P-C4' energy: -150.975
flat angles C4'-P-C4' energy: -173.932
flat angles P-C4'-P energy: -104.208
tors. eta vs tors. theta energy: -246.843
Dist. restrs. and SS energy: 2.558 (S_DIST_RNA)
chem. 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: -2655.902049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.902049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.448357 (E_RNA)
where:
Base-Base interactions energy: -1874.975
where: short stacking energy: -782.436
Base-Backbone interact. energy: -0.498
local terms energy: -785.975178
where:
bonds (distance) C4'-P energy: -142.617
bonds (distance) P-C4' energy: -144.026
flat angles C4'-P-C4' energy: -161.201
flat angles P-C4'-P energy: -105.122
tors. eta vs tors. theta energy: -233.008
Dist. restrs. and SS energy: 5.546 (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: 130
Temperature: 1.000000
Total energy: -2599.980476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.980476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.774563 (E_RNA)
where:
Base-Base interactions energy: -1813.130
where: short stacking energy: -767.823
Base-Backbone interact. energy: -3.217
local terms energy: -787.427343
where:
bonds (distance) C4'-P energy: -141.651
bonds (distance) P-C4' energy: -132.920
flat angles C4'-P-C4' energy: -175.624
flat angles P-C4'-P energy: -104.339
tors. eta vs tors. theta energy: -232.894
Dist. restrs. and SS energy: 3.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -2513.939268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.939268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.110632 (E_RNA)
where:
Base-Base interactions energy: -1789.039
where: short stacking energy: -759.255
Base-Backbone interact. energy: -2.515
local terms energy: -734.556160
where:
bonds (distance) C4'-P energy: -132.183
bonds (distance) P-C4' energy: -133.178
flat angles C4'-P-C4' energy: -139.934
flat angles P-C4'-P energy: -97.518
tors. eta vs tors. theta energy: -231.743
Dist. restrs. and SS energy: 12.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -2438.234638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.234638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.337650 (E_RNA)
where:
Base-Base interactions energy: -1739.596
where: short stacking energy: -735.483
Base-Backbone interact. energy: -2.434
local terms energy: -706.307520
where:
bonds (distance) C4'-P energy: -109.282
bonds (distance) P-C4' energy: -123.417
flat angles C4'-P-C4' energy: -148.688
flat angles P-C4'-P energy: -93.886
tors. eta vs tors. theta energy: -231.034
Dist. restrs. and SS energy: 10.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -2289.466407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.466407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.525973 (E_RNA)
where:
Base-Base interactions energy: -1602.620
where: short stacking energy: -671.863
Base-Backbone interact. energy: -2.894
local terms energy: -693.012423
where:
bonds (distance) C4'-P energy: -131.707
bonds (distance) P-C4' energy: -121.777
flat angles C4'-P-C4' energy: -142.767
flat angles P-C4'-P energy: -102.653
tors. eta vs tors. theta energy: -194.109
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: 7, replica: 7
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -2242.421249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.421249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.298559 (E_RNA)
where:
Base-Base interactions energy: -1576.519
where: short stacking energy: -651.403
Base-Backbone interact. energy: -2.964
local terms energy: -674.816228
where:
bonds (distance) C4'-P energy: -132.108
bonds (distance) P-C4' energy: -130.676
flat angles C4'-P-C4' energy: -152.455
flat angles P-C4'-P energy: -71.028
tors. eta vs tors. theta energy: -188.550
Dist. restrs. and SS energy: 11.877 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -2011.337501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.337501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.700463 (E_RNA)
where:
Base-Base interactions energy: -1424.005
where: short stacking energy: -563.673
Base-Backbone interact. energy: 0.892
local terms energy: -600.587648
where:
bonds (distance) C4'-P energy: -126.448
bonds (distance) P-C4' energy: -128.928
flat angles C4'-P-C4' energy: -121.074
flat angles P-C4'-P energy: -69.588
tors. eta vs tors. theta energy: -154.549
Dist. restrs. and SS energy: 12.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -2000.897467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.897467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.409705 (E_RNA)
where:
Base-Base interactions energy: -1407.123
where: short stacking energy: -615.140
Base-Backbone interact. energy: -2.088
local terms energy: -611.199145
where:
bonds (distance) C4'-P energy: -113.808
bonds (distance) P-C4' energy: -115.473
flat angles C4'-P-C4' energy: -127.718
flat angles P-C4'-P energy: -79.052
tors. eta vs tors. theta energy: -175.148
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: 10, replica: 6
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -1933.320225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.320225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.727237 (E_RNA)
where:
Base-Base interactions energy: -1368.870
where: short stacking energy: -573.291
Base-Backbone interact. energy: 0.586
local terms energy: -589.442548
where:
bonds (distance) C4'-P energy: -81.391
bonds (distance) P-C4' energy: -125.929
flat angles C4'-P-C4' energy: -132.513
flat angles P-C4'-P energy: -81.031
tors. eta vs tors. theta energy: -168.578
Dist. restrs. and SS energy: 24.407 (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: 131
Temperature: 0.900000
Total energy: -2764.192766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.192766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2769.804543 (E_RNA)
where:
Base-Base interactions energy: -1932.253
where: short stacking energy: -822.760
Base-Backbone interact. energy: -3.484
local terms energy: -834.067404
where:
bonds (distance) C4'-P energy: -136.653
bonds (distance) P-C4' energy: -155.823
flat angles C4'-P-C4' energy: -176.794
flat angles P-C4'-P energy: -119.662
tors. eta vs tors. theta energy: -245.135
Dist. restrs. and SS energy: 5.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -2687.468127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.468127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.390570 (E_RNA)
where:
Base-Base interactions energy: -1882.203
where: short stacking energy: -801.008
Base-Backbone interact. energy: -3.076
local terms energy: -809.111752
where:
bonds (distance) C4'-P energy: -128.473
bonds (distance) P-C4' energy: -136.671
flat angles C4'-P-C4' energy: -183.822
flat angles P-C4'-P energy: -120.907
tors. eta vs tors. theta energy: -239.238
Dist. restrs. and SS energy: 6.922 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -2606.539056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.539056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.114860 (E_RNA)
where:
Base-Base interactions energy: -1824.986
where: short stacking energy: -764.644
Base-Backbone interact. energy: -3.236
local terms energy: -782.893242
where:
bonds (distance) C4'-P energy: -128.487
bonds (distance) P-C4' energy: -140.719
flat angles C4'-P-C4' energy: -162.433
flat angles P-C4'-P energy: -111.420
tors. eta vs tors. theta energy: -239.833
Dist. restrs. and SS energy: 4.576 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -2530.536538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.536538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.661756 (E_RNA)
where:
Base-Base interactions energy: -1749.719
where: short stacking energy: -733.438
Base-Backbone interact. energy: -1.810
local terms energy: -789.132985
where:
bonds (distance) C4'-P energy: -143.400
bonds (distance) P-C4' energy: -126.245
flat angles C4'-P-C4' energy: -169.704
flat angles P-C4'-P energy: -117.078
tors. eta vs tors. theta energy: -232.707
Dist. restrs. and SS energy: 10.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -2385.968827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.968827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.504947 (E_RNA)
where:
Base-Base interactions energy: -1662.887
where: short stacking energy: -703.855
Base-Backbone interact. energy: -1.755
local terms energy: -727.862771
where:
bonds (distance) C4'-P energy: -130.303
bonds (distance) P-C4' energy: -139.978
flat angles C4'-P-C4' energy: -143.898
flat angles P-C4'-P energy: -103.833
tors. eta vs tors. theta energy: -209.851
Dist. restrs. and SS energy: 6.536 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -2307.310834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.310834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.259880 (E_RNA)
where:
Base-Base interactions energy: -1626.340
where: short stacking energy: -686.599
Base-Backbone interact. energy: -4.650
local terms energy: -688.269903
where:
bonds (distance) C4'-P energy: -123.763
bonds (distance) P-C4' energy: -133.039
flat angles C4'-P-C4' energy: -133.974
flat angles P-C4'-P energy: -99.315
tors. eta vs tors. theta energy: -198.179
Dist. restrs. and SS energy: 11.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -2241.414820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.414820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.510655 (E_RNA)
where:
Base-Base interactions energy: -1575.378
where: short stacking energy: -680.121
Base-Backbone interact. energy: -2.595
local terms energy: -679.537435
where:
bonds (distance) C4'-P energy: -105.945
bonds (distance) P-C4' energy: -128.786
flat angles C4'-P-C4' energy: -156.607
flat angles P-C4'-P energy: -83.005
tors. eta vs tors. theta energy: -205.194
Dist. restrs. and SS energy: 16.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -2066.641845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.641845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.146620 (E_RNA)
where:
Base-Base interactions energy: -1441.021
where: short stacking energy: -592.663
Base-Backbone interact. energy: 5.321
local terms energy: -647.446007
where:
bonds (distance) C4'-P energy: -121.162
bonds (distance) P-C4' energy: -137.401
flat angles C4'-P-C4' energy: -142.653
flat angles P-C4'-P energy: -90.447
tors. eta vs tors. theta energy: -155.783
Dist. restrs. and SS energy: 16.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -2027.569257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.569257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.948805 (E_RNA)
where:
Base-Base interactions energy: -1436.893
where: short stacking energy: -599.614
Base-Backbone interact. energy: 0.918
local terms energy: -606.973587
where:
bonds (distance) C4'-P energy: -115.162
bonds (distance) P-C4' energy: -124.234
flat angles C4'-P-C4' energy: -127.295
flat angles P-C4'-P energy: -71.320
tors. eta vs tors. theta energy: -168.963
Dist. restrs. and SS energy: 15.380 (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: 131
Temperature: 1.350000
Total energy: -1893.188152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.188152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.257938 (E_RNA)
where:
Base-Base interactions energy: -1350.228
where: short stacking energy: -548.962
Base-Backbone interact. energy: -3.837
local terms energy: -558.192478
where:
bonds (distance) C4'-P energy: -104.829
bonds (distance) P-C4' energy: -119.868
flat angles C4'-P-C4' energy: -121.242
flat angles P-C4'-P energy: -66.704
tors. eta vs tors. theta energy: -145.551
Dist. restrs. and SS energy: 19.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -2742.664122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.664122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.941635 (E_RNA)
where:
Base-Base interactions energy: -1903.018
where: short stacking energy: -817.809
Base-Backbone interact. energy: -3.353
local terms energy: -840.570167
where:
bonds (distance) C4'-P energy: -160.843
bonds (distance) P-C4' energy: -140.965
flat angles C4'-P-C4' energy: -175.325
flat angles P-C4'-P energy: -116.773
tors. eta vs tors. theta energy: -246.664
Dist. restrs. and SS energy: 4.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -2670.167151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.167151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.344997 (E_RNA)
where:
Base-Base interactions energy: -1872.051
where: short stacking energy: -808.285
Base-Backbone interact. energy: -3.826
local terms energy: -797.467603
where:
bonds (distance) C4'-P energy: -140.148
bonds (distance) P-C4' energy: -150.073
flat angles C4'-P-C4' energy: -162.764
flat angles P-C4'-P energy: -110.803
tors. eta vs tors. theta energy: -233.679
Dist. restrs. and SS energy: 3.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -2603.035031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.035031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.996511 (E_RNA)
where:
Base-Base interactions energy: -1830.039
where: short stacking energy: -759.275
Base-Backbone interact. energy: -0.208
local terms energy: -776.749082
where:
bonds (distance) C4'-P energy: -144.916
bonds (distance) P-C4' energy: -133.774
flat angles C4'-P-C4' energy: -167.057
flat angles P-C4'-P energy: -103.894
tors. eta vs tors. theta energy: -227.108
Dist. restrs. and SS energy: 3.961 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -2538.514118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.514118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.087484 (E_RNA)
where:
Base-Base interactions energy: -1779.297
where: short stacking energy: -755.304
Base-Backbone interact. energy: -3.077
local terms energy: -762.713726
where:
bonds (distance) C4'-P energy: -123.853
bonds (distance) P-C4' energy: -140.520
flat angles C4'-P-C4' energy: -158.681
flat angles P-C4'-P energy: -105.652
tors. eta vs tors. theta energy: -234.008
Dist. restrs. and SS energy: 6.573 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -2444.796145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.796145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.368037 (E_RNA)
where:
Base-Base interactions energy: -1740.351
where: short stacking energy: -712.490
Base-Backbone interact. energy: -2.325
local terms energy: -710.691803
where:
bonds (distance) C4'-P energy: -131.901
bonds (distance) P-C4' energy: -119.526
flat angles C4'-P-C4' energy: -146.814
flat angles P-C4'-P energy: -95.632
tors. eta vs tors. theta energy: -216.819
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: 6, replica: 9
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -2320.025946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.025946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.630714 (E_RNA)
where:
Base-Base interactions energy: -1621.027
where: short stacking energy: -683.595
Base-Backbone interact. energy: -1.683
local terms energy: -710.920891
where:
bonds (distance) C4'-P energy: -115.225
bonds (distance) P-C4' energy: -140.056
flat angles C4'-P-C4' energy: -153.373
flat angles P-C4'-P energy: -94.736
tors. eta vs tors. theta energy: -207.532
Dist. restrs. and SS energy: 13.605 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -2192.216905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.216905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.369901 (E_RNA)
where:
Base-Base interactions energy: -1549.081
where: short stacking energy: -667.252
Base-Backbone interact. energy: -0.275
local terms energy: -657.013346
where:
bonds (distance) C4'-P energy: -110.254
bonds (distance) P-C4' energy: -117.698
flat angles C4'-P-C4' energy: -141.147
flat angles P-C4'-P energy: -87.742
tors. eta vs tors. theta energy: -200.172
Dist. restrs. and SS energy: 14.153 (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: 4
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -2078.018405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.018405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.573754 (E_RNA)
where:
Base-Base interactions energy: -1490.650
where: short stacking energy: -602.295
Base-Backbone interact. energy: 1.050
local terms energy: -603.973257
where:
bonds (distance) C4'-P energy: -111.589
bonds (distance) P-C4' energy: -102.617
flat angles C4'-P-C4' energy: -130.123
flat angles P-C4'-P energy: -80.578
tors. eta vs tors. theta energy: -179.066
Dist. restrs. and SS energy: 15.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -1964.673769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.673769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.231846 (E_RNA)
where:
Base-Base interactions energy: -1384.722
where: short stacking energy: -576.678
Base-Backbone interact. energy: 3.057
local terms energy: -608.566665
where:
bonds (distance) C4'-P energy: -114.056
bonds (distance) P-C4' energy: -112.530
flat angles C4'-P-C4' energy: -133.502
flat angles P-C4'-P energy: -80.207
tors. eta vs tors. theta energy: -168.272
Dist. restrs. and SS energy: 25.558 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -1950.814958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.814958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.844922 (E_RNA)
where:
Base-Base interactions energy: -1405.436
where: short stacking energy: -583.729
Base-Backbone interact. energy: -0.284
local terms energy: -560.124305
where:
bonds (distance) C4'-P energy: -99.348
bonds (distance) P-C4' energy: -121.511
flat angles C4'-P-C4' energy: -107.442
flat angles P-C4'-P energy: -72.267
tors. eta vs tors. theta energy: -159.556
Dist. restrs. and SS energy: 15.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -2713.437604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.437604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.796760 (E_RNA)
where:
Base-Base interactions energy: -1894.080
where: short stacking energy: -828.960
Base-Backbone interact. energy: -2.565
local terms energy: -821.151038
where:
bonds (distance) C4'-P energy: -145.166
bonds (distance) P-C4' energy: -156.119
flat angles C4'-P-C4' energy: -171.188
flat angles P-C4'-P energy: -103.928
tors. eta vs tors. theta energy: -244.750
Dist. restrs. and SS energy: 4.359 (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: 8
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -2664.287928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.287928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.575672 (E_RNA)
where:
Base-Base interactions energy: -1865.298
where: short stacking energy: -763.867
Base-Backbone interact. energy: -0.114
local terms energy: -803.164040
where:
bonds (distance) C4'-P energy: -133.315
bonds (distance) P-C4' energy: -146.185
flat angles C4'-P-C4' energy: -168.675
flat angles P-C4'-P energy: -121.356
tors. eta vs tors. theta energy: -233.633
Dist. restrs. and SS energy: 4.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -2608.771874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.771874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.730605 (E_RNA)
where:
Base-Base interactions energy: -1829.058
where: short stacking energy: -761.016
Base-Backbone interact. energy: 2.540
local terms energy: -786.211981
where:
bonds (distance) C4'-P energy: -129.109
bonds (distance) P-C4' energy: -139.838
flat angles C4'-P-C4' energy: -169.362
flat angles P-C4'-P energy: -111.432
tors. eta vs tors. theta energy: -236.471
Dist. restrs. and SS energy: 3.959 (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: 1
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -2540.764454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.764454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.038195 (E_RNA)
where:
Base-Base interactions energy: -1795.980
where: short stacking energy: -743.963
Base-Backbone interact. energy: -1.220
local terms energy: -749.838033
where:
bonds (distance) C4'-P energy: -128.977
bonds (distance) P-C4' energy: -141.041
flat angles C4'-P-C4' energy: -163.155
flat angles P-C4'-P energy: -100.343
tors. eta vs tors. theta energy: -216.322
Dist. restrs. and SS energy: 6.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -2413.484554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.484554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.494753 (E_RNA)
where:
Base-Base interactions energy: -1707.036
where: short stacking energy: -726.620
Base-Backbone interact. energy: -3.008
local terms energy: -713.450753
where:
bonds (distance) C4'-P energy: -131.888
bonds (distance) P-C4' energy: -125.024
flat angles C4'-P-C4' energy: -144.135
flat angles P-C4'-P energy: -103.314
tors. eta vs tors. theta energy: -209.091
Dist. restrs. and SS energy: 10.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -2349.288557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.288557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.436014 (E_RNA)
where:
Base-Base interactions energy: -1659.528
where: short stacking energy: -699.327
Base-Backbone interact. energy: -1.672
local terms energy: -707.235777
where:
bonds (distance) C4'-P energy: -123.340
bonds (distance) P-C4' energy: -121.918
flat angles C4'-P-C4' energy: -151.153
flat angles P-C4'-P energy: -102.228
tors. eta vs tors. theta energy: -208.598
Dist. restrs. and SS energy: 19.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -2245.295990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.295990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.205219 (E_RNA)
where:
Base-Base interactions energy: -1571.740
where: short stacking energy: -692.601
Base-Backbone interact. energy: -2.814
local terms energy: -693.651710
where:
bonds (distance) C4'-P energy: -109.927
bonds (distance) P-C4' energy: -138.094
flat angles C4'-P-C4' energy: -147.912
flat angles P-C4'-P energy: -94.442
tors. eta vs tors. theta energy: -203.277
Dist. restrs. and SS energy: 22.909 (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: 4
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -2105.922082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.922082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.299507 (E_RNA)
where:
Base-Base interactions energy: -1475.516
where: short stacking energy: -609.559
Base-Backbone interact. energy: -3.455
local terms energy: -644.329125
where:
bonds (distance) C4'-P energy: -104.732
bonds (distance) P-C4' energy: -132.465
flat angles C4'-P-C4' energy: -137.866
flat angles P-C4'-P energy: -97.604
tors. eta vs tors. theta energy: -171.662
Dist. restrs. and SS energy: 17.377 (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: 5
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -1973.034646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.034646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.716803 (E_RNA)
where:
Base-Base interactions energy: -1412.394
where: short stacking energy: -582.739
Base-Backbone interact. energy: -3.315
local terms energy: -579.007765
where:
bonds (distance) C4'-P energy: -108.485
bonds (distance) P-C4' energy: -106.962
flat angles C4'-P-C4' energy: -120.263
flat angles P-C4'-P energy: -91.531
tors. eta vs tors. theta energy: -151.767
Dist. restrs. and SS energy: 21.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -1946.024970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.024970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.022287 (E_RNA)
where:
Base-Base interactions energy: -1398.788
where: short stacking energy: -546.714
Base-Backbone interact. energy: 0.974
local terms energy: -566.208855
where:
bonds (distance) C4'-P energy: -112.522
bonds (distance) P-C4' energy: -110.682
flat angles C4'-P-C4' energy: -119.100
flat angles P-C4'-P energy: -64.791
tors. eta vs tors. theta energy: -159.113
Dist. restrs. and SS energy: 17.997 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -2748.433893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2748.433893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2754.674653 (E_RNA)
where:
Base-Base interactions energy: -1921.598
where: short stacking energy: -831.509
Base-Backbone interact. energy: 1.219
local terms energy: -834.295296
where:
bonds (distance) C4'-P energy: -144.786
bonds (distance) P-C4' energy: -138.690
flat angles C4'-P-C4' energy: -188.990
flat angles P-C4'-P energy: -116.908
tors. eta vs tors. theta energy: -244.921
Dist. restrs. and SS energy: 6.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -2658.866064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.866064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.229013 (E_RNA)
where:
Base-Base interactions energy: -1859.201
where: short stacking energy: -786.757
Base-Backbone interact. energy: -2.845
local terms energy: -802.183535
where:
bonds (distance) C4'-P energy: -155.676
bonds (distance) P-C4' energy: -119.702
flat angles C4'-P-C4' energy: -173.708
flat angles P-C4'-P energy: -121.896
tors. eta vs tors. theta energy: -231.202
Dist. restrs. and SS energy: 5.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -2632.156942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.156942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.354515 (E_RNA)
where:
Base-Base interactions energy: -1822.686
where: short stacking energy: -770.982
Base-Backbone interact. energy: -4.486
local terms energy: -809.182261
where:
bonds (distance) C4'-P energy: -139.852
bonds (distance) P-C4' energy: -139.729
flat angles C4'-P-C4' energy: -173.995
flat angles P-C4'-P energy: -108.926
tors. eta vs tors. theta energy: -246.680
Dist. restrs. and SS energy: 4.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -2525.492521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.492521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.902267 (E_RNA)
where:
Base-Base interactions energy: -1779.349
where: short stacking energy: -739.566
Base-Backbone interact. energy: -2.381
local terms energy: -749.172486
where:
bonds (distance) C4'-P energy: -130.456
bonds (distance) P-C4' energy: -124.706
flat angles C4'-P-C4' energy: -164.629
flat angles P-C4'-P energy: -110.265
tors. eta vs tors. theta energy: -219.117
Dist. restrs. and SS energy: 5.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -2438.190152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.190152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.453007 (E_RNA)
where:
Base-Base interactions energy: -1741.813
where: short stacking energy: -729.636
Base-Backbone interact. energy: -2.554
local terms energy: -703.085366
where:
bonds (distance) C4'-P energy: -97.612
bonds (distance) P-C4' energy: -128.630
flat angles C4'-P-C4' energy: -155.987
flat angles P-C4'-P energy: -98.349
tors. eta vs tors. theta energy: -222.507
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: 6, replica: 9
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -2306.897658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.897658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.382140 (E_RNA)
where:
Base-Base interactions energy: -1634.541
where: short stacking energy: -690.649
Base-Backbone interact. energy: -1.373
local terms energy: -682.467384
where:
bonds (distance) C4'-P energy: -126.476
bonds (distance) P-C4' energy: -108.048
flat angles C4'-P-C4' energy: -134.637
flat angles P-C4'-P energy: -102.952
tors. eta vs tors. theta energy: -210.355
Dist. restrs. and SS energy: 11.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -2265.523397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.523397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.193979 (E_RNA)
where:
Base-Base interactions energy: -1593.605
where: short stacking energy: -660.195
Base-Backbone interact. energy: -4.429
local terms energy: -681.159549
where:
bonds (distance) C4'-P energy: -118.560
bonds (distance) P-C4' energy: -120.758
flat angles C4'-P-C4' energy: -154.062
flat angles P-C4'-P energy: -105.390
tors. eta vs tors. theta energy: -182.391
Dist. restrs. and SS energy: 13.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -2068.613979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.613979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.403326 (E_RNA)
where:
Base-Base interactions energy: -1451.363
where: short stacking energy: -599.011
Base-Backbone interact. energy: -0.057
local terms energy: -631.983386
where:
bonds (distance) C4'-P energy: -112.643
bonds (distance) P-C4' energy: -126.226
flat angles C4'-P-C4' energy: -131.080
flat angles P-C4'-P energy: -95.013
tors. eta vs tors. theta energy: -167.022
Dist. restrs. and SS energy: 14.789 (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: 5
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -1993.477291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.477291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.709271 (E_RNA)
where:
Base-Base interactions energy: -1423.283
where: short stacking energy: -583.716
Base-Backbone interact. energy: -0.896
local terms energy: -595.531040
where:
bonds (distance) C4'-P energy: -110.398
bonds (distance) P-C4' energy: -107.013
flat angles C4'-P-C4' energy: -128.535
flat angles P-C4'-P energy: -91.671
tors. eta vs tors. theta energy: -157.914
Dist. restrs. and SS energy: 26.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -1951.363919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.363919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.846775 (E_RNA)
where:
Base-Base interactions energy: -1396.072
where: short stacking energy: -581.975
Base-Backbone interact. energy: -3.038
local terms energy: -570.736788
where:
bonds (distance) C4'-P energy: -104.370
bonds (distance) P-C4' energy: -105.818
flat angles C4'-P-C4' energy: -130.463
flat angles P-C4'-P energy: -64.629
tors. eta vs tors. theta energy: -165.456
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: 1, replica: 2
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -2717.088407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.088407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.948345 (E_RNA)
where:
Base-Base interactions energy: -1892.919
where: short stacking energy: -795.521
Base-Backbone interact. energy: -2.731
local terms energy: -825.298830
where:
bonds (distance) C4'-P energy: -150.175
bonds (distance) P-C4' energy: -157.167
flat angles C4'-P-C4' energy: -172.683
flat angles P-C4'-P energy: -104.043
tors. eta vs tors. theta energy: -241.230
Dist. restrs. and SS energy: 3.860 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -2671.928448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.928448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.778409 (E_RNA)
where:
Base-Base interactions energy: -1879.687
where: short stacking energy: -790.801
Base-Backbone interact. energy: -1.736
local terms energy: -793.355683
where:
bonds (distance) C4'-P energy: -139.836
bonds (distance) P-C4' energy: -145.650
flat angles C4'-P-C4' energy: -156.365
flat angles P-C4'-P energy: -115.943
tors. eta vs tors. theta energy: -235.562
Dist. restrs. and SS energy: 2.850 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -2590.945726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.945726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.576219 (E_RNA)
where:
Base-Base interactions energy: -1810.794
where: short stacking energy: -778.589
Base-Backbone interact. energy: -1.334
local terms energy: -782.448024
where:
bonds (distance) C4'-P energy: -129.696
bonds (distance) P-C4' energy: -133.478
flat angles C4'-P-C4' energy: -175.765
flat angles P-C4'-P energy: -109.177
tors. eta vs tors. theta energy: -234.332
Dist. restrs. and SS energy: 3.630 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -2539.331433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.331433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.611924 (E_RNA)
where:
Base-Base interactions energy: -1775.775
where: short stacking energy: -776.310
Base-Backbone interact. energy: -4.354
local terms energy: -766.483516
where:
bonds (distance) C4'-P energy: -137.793
bonds (distance) P-C4' energy: -144.297
flat angles C4'-P-C4' energy: -145.729
flat angles P-C4'-P energy: -108.030
tors. eta vs tors. theta energy: -230.634
Dist. restrs. and SS energy: 7.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -2418.748603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.748603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.919650 (E_RNA)
where:
Base-Base interactions energy: -1702.397
where: short stacking energy: -702.344
Base-Backbone interact. energy: -2.301
local terms energy: -722.221609
where:
bonds (distance) C4'-P energy: -123.662
bonds (distance) P-C4' energy: -132.464
flat angles C4'-P-C4' energy: -149.388
flat angles P-C4'-P energy: -105.104
tors. eta vs tors. theta energy: -211.605
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: 6, replica: 9
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -2297.685514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.685514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.367880 (E_RNA)
where:
Base-Base interactions energy: -1632.137
where: short stacking energy: -684.551
Base-Backbone interact. energy: 0.699
local terms energy: -681.928951
where:
bonds (distance) C4'-P energy: -131.547
bonds (distance) P-C4' energy: -120.697
flat angles C4'-P-C4' energy: -146.306
flat angles P-C4'-P energy: -88.206
tors. eta vs tors. theta energy: -195.173
Dist. restrs. and SS energy: 15.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -2245.079117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.079117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.684183 (E_RNA)
where:
Base-Base interactions energy: -1585.235
where: short stacking energy: -655.641
Base-Backbone interact. energy: -0.344
local terms energy: -672.105621
where:
bonds (distance) C4'-P energy: -128.883
bonds (distance) P-C4' energy: -118.032
flat angles C4'-P-C4' energy: -146.813
flat angles P-C4'-P energy: -88.209
tors. eta vs tors. theta energy: -190.169
Dist. restrs. and SS energy: 12.605 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -2096.312149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.312149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.253478 (E_RNA)
where:
Base-Base interactions energy: -1495.540
where: short stacking energy: -625.558
Base-Backbone interact. energy: 0.759
local terms energy: -617.472962
where:
bonds (distance) C4'-P energy: -99.198
bonds (distance) P-C4' energy: -134.067
flat angles C4'-P-C4' energy: -146.942
flat angles P-C4'-P energy: -66.785
tors. eta vs tors. theta energy: -170.481
Dist. restrs. and SS energy: 15.941 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -1978.558521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.558521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.991670 (E_RNA)
where:
Base-Base interactions energy: -1400.957
where: short stacking energy: -574.258
Base-Backbone interact. energy: -4.191
local terms energy: -593.843777
where:
bonds (distance) C4'-P energy: -110.904
bonds (distance) P-C4' energy: -103.588
flat angles C4'-P-C4' energy: -141.042
flat angles P-C4'-P energy: -71.044
tors. eta vs tors. theta energy: -167.265
Dist. restrs. and SS energy: 20.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -1921.885439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.885439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.131421 (E_RNA)
where:
Base-Base interactions energy: -1371.764
where: short stacking energy: -571.957
Base-Backbone interact. energy: -2.887
local terms energy: -564.480762
where:
bonds (distance) C4'-P energy: -119.844
bonds (distance) P-C4' energy: -88.208
flat angles C4'-P-C4' energy: -134.440
flat angles P-C4'-P energy: -69.218
tors. eta vs tors. theta energy: -152.771
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: 1, replica: 2
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -2735.635851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.635851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.340765 (E_RNA)
where:
Base-Base interactions energy: -1903.923
where: short stacking energy: -813.840
Base-Backbone interact. energy: -4.511
local terms energy: -830.906666
where:
bonds (distance) C4'-P energy: -153.726
bonds (distance) P-C4' energy: -147.902
flat angles C4'-P-C4' energy: -175.368
flat angles P-C4'-P energy: -114.227
tors. eta vs tors. theta energy: -239.684
Dist. restrs. and SS energy: 3.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -2660.170694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.170694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.725982 (E_RNA)
where:
Base-Base interactions energy: -1861.336
where: short stacking energy: -786.952
Base-Backbone interact. energy: -0.922
local terms energy: -801.468106
where:
bonds (distance) C4'-P energy: -118.906
bonds (distance) P-C4' energy: -146.872
flat angles C4'-P-C4' energy: -173.203
flat angles P-C4'-P energy: -119.349
tors. eta vs tors. theta energy: -243.138
Dist. restrs. and SS energy: 3.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -2619.732803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.732803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.306784 (E_RNA)
where:
Base-Base interactions energy: -1839.003
where: short stacking energy: -774.507
Base-Backbone interact. energy: -1.844
local terms energy: -784.459959
where:
bonds (distance) C4'-P energy: -127.265
bonds (distance) P-C4' energy: -146.975
flat angles C4'-P-C4' energy: -165.912
flat angles P-C4'-P energy: -119.195
tors. eta vs tors. theta energy: -225.112
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: 1
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -2511.854023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.854023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.562140 (E_RNA)
where:
Base-Base interactions energy: -1753.632
where: short stacking energy: -710.928
Base-Backbone interact. energy: -0.829
local terms energy: -765.100972
where:
bonds (distance) C4'-P energy: -133.989
bonds (distance) P-C4' energy: -148.493
flat angles C4'-P-C4' energy: -159.471
flat angles P-C4'-P energy: -97.824
tors. eta vs tors. theta energy: -225.323
Dist. restrs. and SS energy: 7.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -2422.559188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.559188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.799496 (E_RNA)
where:
Base-Base interactions energy: -1728.305
where: short stacking energy: -721.287
Base-Backbone interact. energy: -2.196
local terms energy: -700.298909
where:
bonds (distance) C4'-P energy: -123.647
bonds (distance) P-C4' energy: -116.179
flat angles C4'-P-C4' energy: -138.340
flat angles P-C4'-P energy: -106.016
tors. eta vs tors. theta energy: -216.118
Dist. restrs. and SS energy: 8.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -2306.582154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.582154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.289306 (E_RNA)
where:
Base-Base interactions energy: -1599.396
where: short stacking energy: -669.281
Base-Backbone interact. energy: -3.167
local terms energy: -714.725871
where:
bonds (distance) C4'-P energy: -135.594
bonds (distance) P-C4' energy: -148.753
flat angles C4'-P-C4' energy: -151.790
flat angles P-C4'-P energy: -82.810
tors. eta vs tors. theta energy: -195.779
Dist. restrs. and SS energy: 10.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -2243.517821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.517821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.448063 (E_RNA)
where:
Base-Base interactions energy: -1572.996
where: short stacking energy: -645.648
Base-Backbone interact. energy: 3.539
local terms energy: -684.991223
where:
bonds (distance) C4'-P energy: -122.539
bonds (distance) P-C4' energy: -137.149
flat angles C4'-P-C4' energy: -139.781
flat angles P-C4'-P energy: -89.420
tors. eta vs tors. theta energy: -196.102
Dist. restrs. and SS energy: 10.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -2086.810882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.810882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.939290 (E_RNA)
where:
Base-Base interactions energy: -1490.784
where: short stacking energy: -610.903
Base-Backbone interact. energy: 1.390
local terms energy: -611.544799
where:
bonds (distance) C4'-P energy: -90.488
bonds (distance) P-C4' energy: -116.719
flat angles C4'-P-C4' energy: -145.240
flat angles P-C4'-P energy: -81.240
tors. eta vs tors. theta energy: -177.859
Dist. restrs. and SS energy: 14.128 (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: 136
Temperature: 1.300000
Total energy: -1974.794896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.794896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.610691 (E_RNA)
where:
Base-Base interactions energy: -1374.001
where: short stacking energy: -587.184
Base-Backbone interact. energy: -3.189
local terms energy: -616.421095
where:
bonds (distance) C4'-P energy: -117.382
bonds (distance) P-C4' energy: -122.394
flat angles C4'-P-C4' energy: -133.946
flat angles P-C4'-P energy: -82.554
tors. eta vs tors. theta energy: -160.145
Dist. restrs. and SS energy: 18.816 (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: 5
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -1894.483079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.483079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.425938 (E_RNA)
where:
Base-Base interactions energy: -1317.217
where: short stacking energy: -574.021
Base-Backbone interact. energy: -2.077
local terms energy: -597.131071
where:
bonds (distance) C4'-P energy: -135.198
bonds (distance) P-C4' energy: -130.700
flat angles C4'-P-C4' energy: -131.028
flat angles P-C4'-P energy: -55.768
tors. eta vs tors. theta energy: -144.437
Dist. restrs. and SS energy: 21.943 (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: 137
Temperature: 0.900000
Total energy: -2737.999363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.999363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.104551 (E_RNA)
where:
Base-Base interactions energy: -1928.713
where: short stacking energy: -816.557
Base-Backbone interact. energy: -1.413
local terms energy: -808.978491
where:
bonds (distance) C4'-P energy: -152.421
bonds (distance) P-C4' energy: -136.053
flat angles C4'-P-C4' energy: -168.301
flat angles P-C4'-P energy: -116.857
tors. eta vs tors. theta energy: -235.346
Dist. restrs. and SS energy: 1.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -2644.476337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.476337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.318579 (E_RNA)
where:
Base-Base interactions energy: -1848.015
where: short stacking energy: -798.379
Base-Backbone interact. energy: -4.984
local terms energy: -794.320184
where:
bonds (distance) C4'-P energy: -138.303
bonds (distance) P-C4' energy: -144.412
flat angles C4'-P-C4' energy: -168.059
flat angles P-C4'-P energy: -102.762
tors. eta vs tors. theta energy: -240.783
Dist. restrs. and SS energy: 2.842 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -2634.557400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.557400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.997104 (E_RNA)
where:
Base-Base interactions energy: -1865.467
where: short stacking energy: -790.539
Base-Backbone interact. energy: -3.085
local terms energy: -769.445089
where:
bonds (distance) C4'-P energy: -134.911
bonds (distance) P-C4' energy: -127.391
flat angles C4'-P-C4' energy: -167.481
flat angles P-C4'-P energy: -107.948
tors. eta vs tors. theta energy: -231.715
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: 4, replica: 1
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -2495.023225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.023225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.402116 (E_RNA)
where:
Base-Base interactions energy: -1744.709
where: short stacking energy: -743.712
Base-Backbone interact. energy: 1.497
local terms energy: -759.189385
where:
bonds (distance) C4'-P energy: -124.037
bonds (distance) P-C4' energy: -141.914
flat angles C4'-P-C4' energy: -164.936
flat angles P-C4'-P energy: -107.592
tors. eta vs tors. theta energy: -220.710
Dist. restrs. and SS energy: 7.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -2456.905409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.905409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.117166 (E_RNA)
where:
Base-Base interactions energy: -1737.716
where: short stacking energy: -709.484
Base-Backbone interact. energy: -3.602
local terms energy: -720.799149
where:
bonds (distance) C4'-P energy: -123.108
bonds (distance) P-C4' energy: -126.974
flat angles C4'-P-C4' energy: -148.803
flat angles P-C4'-P energy: -105.669
tors. eta vs tors. theta energy: -216.246
Dist. restrs. and SS energy: 5.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -2311.176871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.176871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.776253 (E_RNA)
where:
Base-Base interactions energy: -1598.912
where: short stacking energy: -693.540
Base-Backbone interact. energy: -2.906
local terms energy: -726.958643
where:
bonds (distance) C4'-P energy: -112.777
bonds (distance) P-C4' energy: -138.498
flat angles C4'-P-C4' energy: -163.556
flat angles P-C4'-P energy: -98.578
tors. eta vs tors. theta energy: -213.550
Dist. restrs. and SS energy: 17.599 (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: 7
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -2222.199438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.199438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.359191 (E_RNA)
where:
Base-Base interactions energy: -1578.993
where: short stacking energy: -685.728
Base-Backbone interact. energy: -2.150
local terms energy: -658.216124
where:
bonds (distance) C4'-P energy: -141.146
bonds (distance) P-C4' energy: -116.381
flat angles C4'-P-C4' energy: -131.538
flat angles P-C4'-P energy: -81.663
tors. eta vs tors. theta energy: -187.487
Dist. restrs. and SS energy: 17.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -2095.014149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.014149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.132290 (E_RNA)
where:
Base-Base interactions energy: -1467.060
where: short stacking energy: -589.996
Base-Backbone interact. energy: -1.379
local terms energy: -637.693124
where:
bonds (distance) C4'-P energy: -99.128
bonds (distance) P-C4' energy: -124.001
flat angles C4'-P-C4' energy: -132.244
flat angles P-C4'-P energy: -107.067
tors. eta vs tors. theta energy: -175.253
Dist. restrs. and SS energy: 11.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -1989.985322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.985322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.634644 (E_RNA)
where:
Base-Base interactions energy: -1434.844
where: short stacking energy: -563.149
Base-Backbone interact. energy: -0.203
local terms energy: -580.588171
where:
bonds (distance) C4'-P energy: -110.154
bonds (distance) P-C4' energy: -113.505
flat angles C4'-P-C4' energy: -121.705
flat angles P-C4'-P energy: -69.865
tors. eta vs tors. theta energy: -165.359
Dist. restrs. and SS energy: 25.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -1891.657433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.657433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.156078 (E_RNA)
where:
Base-Base interactions energy: -1345.685
where: short stacking energy: -524.229
Base-Backbone interact. energy: -2.142
local terms energy: -558.329155
where:
bonds (distance) C4'-P energy: -115.325
bonds (distance) P-C4' energy: -106.551
flat angles C4'-P-C4' energy: -126.547
flat angles P-C4'-P energy: -82.533
tors. eta vs tors. theta energy: -127.374
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: 1, replica: 2
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -2733.976559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.976559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.526603 (E_RNA)
where:
Base-Base interactions energy: -1921.528
where: short stacking energy: -806.027
Base-Backbone interact. energy: -2.810
local terms energy: -812.188751
where:
bonds (distance) C4'-P energy: -155.363
bonds (distance) P-C4' energy: -137.256
flat angles C4'-P-C4' energy: -171.508
flat angles P-C4'-P energy: -109.376
tors. eta vs tors. theta energy: -238.686
Dist. restrs. and SS energy: 2.550 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -2631.134734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.134734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.918424 (E_RNA)
where:
Base-Base interactions energy: -1834.551
where: short stacking energy: -760.359
Base-Backbone interact. energy: -1.600
local terms energy: -796.767777
where:
bonds (distance) C4'-P energy: -132.486
bonds (distance) P-C4' energy: -143.580
flat angles C4'-P-C4' energy: -173.290
flat angles P-C4'-P energy: -114.876
tors. eta vs tors. theta energy: -232.535
Dist. restrs. and SS energy: 1.784 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -2587.365815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.365815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.110151 (E_RNA)
where:
Base-Base interactions energy: -1807.884
where: short stacking energy: -752.742
Base-Backbone interact. energy: -1.788
local terms energy: -782.437666
where:
bonds (distance) C4'-P energy: -138.496
bonds (distance) P-C4' energy: -146.633
flat angles C4'-P-C4' energy: -151.727
flat angles P-C4'-P energy: -118.463
tors. eta vs tors. theta energy: -227.119
Dist. restrs. and SS energy: 4.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -2492.806503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.806503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.315378 (E_RNA)
where:
Base-Base interactions energy: -1724.687
where: short stacking energy: -727.481
Base-Backbone interact. energy: -2.338
local terms energy: -774.290339
where:
bonds (distance) C4'-P energy: -144.331
bonds (distance) P-C4' energy: -139.526
flat angles C4'-P-C4' energy: -158.659
flat angles P-C4'-P energy: -112.902
tors. eta vs tors. theta energy: -218.872
Dist. restrs. and SS energy: 8.509 (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: 3
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -2421.525075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.525075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.935568 (E_RNA)
where:
Base-Base interactions energy: -1704.220
where: short stacking energy: -705.340
Base-Backbone interact. energy: -0.851
local terms energy: -723.864896
where:
bonds (distance) C4'-P energy: -124.081
bonds (distance) P-C4' energy: -130.560
flat angles C4'-P-C4' energy: -157.616
flat angles P-C4'-P energy: -104.572
tors. eta vs tors. theta energy: -207.036
Dist. restrs. and SS energy: 7.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -2335.576292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.576292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.881319 (E_RNA)
where:
Base-Base interactions energy: -1601.082
where: short stacking energy: -685.992
Base-Backbone interact. energy: 1.393
local terms energy: -746.192492
where:
bonds (distance) C4'-P energy: -134.369
bonds (distance) P-C4' energy: -123.671
flat angles C4'-P-C4' energy: -167.036
flat angles P-C4'-P energy: -96.408
tors. eta vs tors. theta energy: -224.708
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: 7, replica: 7
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -2212.817785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.817785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.525125 (E_RNA)
where:
Base-Base interactions energy: -1574.665
where: short stacking energy: -665.174
Base-Backbone interact. energy: -5.144
local terms energy: -649.716260
where:
bonds (distance) C4'-P energy: -90.996
bonds (distance) P-C4' energy: -120.279
flat angles C4'-P-C4' energy: -158.338
flat angles P-C4'-P energy: -85.452
tors. eta vs tors. theta energy: -194.652
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: 8, replica: 4
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -2102.954102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.954102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.565077 (E_RNA)
where:
Base-Base interactions energy: -1470.731
where: short stacking energy: -628.498
Base-Backbone interact. energy: -3.800
local terms energy: -644.033450
where:
bonds (distance) C4'-P energy: -118.711
bonds (distance) P-C4' energy: -133.737
flat angles C4'-P-C4' energy: -144.957
flat angles P-C4'-P energy: -78.207
tors. eta vs tors. theta energy: -168.422
Dist. restrs. and SS energy: 15.611 (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: 6
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -1988.339266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.339266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.815746 (E_RNA)
where:
Base-Base interactions energy: -1424.907
where: short stacking energy: -601.175
Base-Backbone interact. energy: 4.587
local terms energy: -585.495730
where:
bonds (distance) C4'-P energy: -101.485
bonds (distance) P-C4' energy: -119.821
flat angles C4'-P-C4' energy: -129.470
flat angles P-C4'-P energy: -72.106
tors. eta vs tors. theta energy: -162.614
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: 5
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -1875.238103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.238103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.079708 (E_RNA)
where:
Base-Base interactions energy: -1347.043
where: short stacking energy: -538.047
Base-Backbone interact. energy: 7.908
local terms energy: -557.943964
where:
bonds (distance) C4'-P energy: -115.221
bonds (distance) P-C4' energy: -92.780
flat angles C4'-P-C4' energy: -119.204
flat angles P-C4'-P energy: -78.157
tors. eta vs tors. theta energy: -152.582
Dist. restrs. and SS energy: 21.842 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -2735.226461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.226461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.152148 (E_RNA)
where:
Base-Base interactions energy: -1922.007
where: short stacking energy: -833.499
Base-Backbone interact. energy: 1.272
local terms energy: -817.417055
where:
bonds (distance) C4'-P energy: -146.186
bonds (distance) P-C4' energy: -150.763
flat angles C4'-P-C4' energy: -162.516
flat angles P-C4'-P energy: -119.383
tors. eta vs tors. theta energy: -238.569
Dist. restrs. and SS energy: 2.926 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -2684.633491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.633491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.884159 (E_RNA)
where:
Base-Base interactions energy: -1869.038
where: short stacking energy: -798.574
Base-Backbone interact. energy: -2.715
local terms energy: -817.131444
where:
bonds (distance) C4'-P energy: -141.826
bonds (distance) P-C4' energy: -146.626
flat angles C4'-P-C4' energy: -167.035
flat angles P-C4'-P energy: -120.745
tors. eta vs tors. theta energy: -240.900
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: 10
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -2559.517048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.517048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.831489 (E_RNA)
where:
Base-Base interactions energy: -1804.376
where: short stacking energy: -757.163
Base-Backbone interact. energy: -0.218
local terms energy: -757.237401
where:
bonds (distance) C4'-P energy: -134.802
bonds (distance) P-C4' energy: -139.744
flat angles C4'-P-C4' energy: -152.738
flat angles P-C4'-P energy: -103.636
tors. eta vs tors. theta energy: -226.316
Dist. restrs. and SS energy: 2.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -2480.445935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.445935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.484369 (E_RNA)
where:
Base-Base interactions energy: -1704.454
where: short stacking energy: -703.087
Base-Backbone interact. energy: -1.093
local terms energy: -783.936746
where:
bonds (distance) C4'-P energy: -162.096
bonds (distance) P-C4' energy: -140.328
flat angles C4'-P-C4' energy: -152.583
flat angles P-C4'-P energy: -103.250
tors. eta vs tors. theta energy: -225.680
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: 139
Temperature: 1.100000
Total energy: -2421.306232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.306232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.869166 (E_RNA)
where:
Base-Base interactions energy: -1714.413
where: short stacking energy: -719.991
Base-Backbone interact. energy: -5.565
local terms energy: -713.890750
where:
bonds (distance) C4'-P energy: -117.136
bonds (distance) P-C4' energy: -112.998
flat angles C4'-P-C4' energy: -156.461
flat angles P-C4'-P energy: -105.005
tors. eta vs tors. theta energy: -222.290
Dist. restrs. and SS energy: 12.563 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -2338.432819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.432819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.691205 (E_RNA)
where:
Base-Base interactions energy: -1629.990
where: short stacking energy: -711.930
Base-Backbone interact. energy: -3.815
local terms energy: -718.885547
where:
bonds (distance) C4'-P energy: -122.145
bonds (distance) P-C4' energy: -130.745
flat angles C4'-P-C4' energy: -151.179
flat angles P-C4'-P energy: -91.432
tors. eta vs tors. theta energy: -223.384
Dist. restrs. and SS energy: 14.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -2246.966785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.966785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.400439 (E_RNA)
where:
Base-Base interactions energy: -1596.846
where: short stacking energy: -665.388
Base-Backbone interact. energy: -1.825
local terms energy: -665.729305
where:
bonds (distance) C4'-P energy: -92.309
bonds (distance) P-C4' energy: -122.845
flat angles C4'-P-C4' energy: -144.224
flat angles P-C4'-P energy: -110.433
tors. eta vs tors. theta energy: -195.919
Dist. restrs. and SS energy: 17.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -2126.107156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.107156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.066922 (E_RNA)
where:
Base-Base interactions energy: -1511.634
where: short stacking energy: -619.376
Base-Backbone interact. energy: 0.313
local terms energy: -627.745736
where:
bonds (distance) C4'-P energy: -108.588
bonds (distance) P-C4' energy: -115.661
flat angles C4'-P-C4' energy: -151.201
flat angles P-C4'-P energy: -87.017
tors. eta vs tors. theta energy: -165.280
Dist. restrs. and SS energy: 12.960 (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: 6
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -2034.099966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.099966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.228775 (E_RNA)
where:
Base-Base interactions energy: -1429.487
where: short stacking energy: -575.464
Base-Backbone interact. energy: -1.991
local terms energy: -611.750810
where:
bonds (distance) C4'-P energy: -116.699
bonds (distance) P-C4' energy: -108.755
flat angles C4'-P-C4' energy: -127.029
flat angles P-C4'-P energy: -80.710
tors. eta vs tors. theta energy: -178.558
Dist. restrs. and SS energy: 9.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -1950.127328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.127328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.053068 (E_RNA)
where:
Base-Base interactions energy: -1389.629
where: short stacking energy: -549.073
Base-Backbone interact. energy: -2.813
local terms energy: -583.610886
where:
bonds (distance) C4'-P energy: -88.899
bonds (distance) P-C4' energy: -121.457
flat angles C4'-P-C4' energy: -125.853
flat angles P-C4'-P energy: -82.172
tors. eta vs tors. theta energy: -165.230
Dist. restrs. and SS energy: 25.926 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -2738.097967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.097967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.144860 (E_RNA)
where:
Base-Base interactions energy: -1911.531
where: short stacking energy: -813.505
Base-Backbone interact. energy: -1.707
local terms energy: -829.906717
where:
bonds (distance) C4'-P energy: -142.844
bonds (distance) P-C4' energy: -155.514
flat angles C4'-P-C4' energy: -173.571
flat angles P-C4'-P energy: -116.352
tors. eta vs tors. theta energy: -241.626
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: 2, replica: 2
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -2668.070761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.070761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.952685 (E_RNA)
where:
Base-Base interactions energy: -1877.746
where: short stacking energy: -785.475
Base-Backbone interact. energy: 2.659
local terms energy: -795.865808
where:
bonds (distance) C4'-P energy: -138.813
bonds (distance) P-C4' energy: -151.626
flat angles C4'-P-C4' energy: -161.911
flat angles P-C4'-P energy: -110.881
tors. eta vs tors. theta energy: -232.634
Dist. restrs. and SS energy: 2.882 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -2608.666859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.666859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.512002 (E_RNA)
where:
Base-Base interactions energy: -1837.339
where: short stacking energy: -785.830
Base-Backbone interact. energy: 2.551
local terms energy: -776.724285
where:
bonds (distance) C4'-P energy: -118.430
bonds (distance) P-C4' energy: -147.357
flat angles C4'-P-C4' energy: -164.860
flat angles P-C4'-P energy: -110.497
tors. eta vs tors. theta energy: -235.580
Dist. restrs. and SS energy: 2.845 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -2539.663600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.663600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.230681 (E_RNA)
where:
Base-Base interactions energy: -1763.589
where: short stacking energy: -730.507
Base-Backbone interact. energy: -4.144
local terms energy: -779.497589
where:
bonds (distance) C4'-P energy: -147.536
bonds (distance) P-C4' energy: -123.213
flat angles C4'-P-C4' energy: -161.819
flat angles P-C4'-P energy: -114.505
tors. eta vs tors. theta energy: -232.424
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: 5, replica: 3
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -2396.166073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.166073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.818314 (E_RNA)
where:
Base-Base interactions energy: -1678.710
where: short stacking energy: -728.477
Base-Backbone interact. energy: 1.145
local terms energy: -728.253762
where:
bonds (distance) C4'-P energy: -115.008
bonds (distance) P-C4' energy: -122.180
flat angles C4'-P-C4' energy: -167.418
flat angles P-C4'-P energy: -116.003
tors. eta vs tors. theta energy: -207.645
Dist. restrs. and SS energy: 9.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -2299.055781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.055781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.768199 (E_RNA)
where:
Base-Base interactions energy: -1625.970
where: short stacking energy: -682.987
Base-Backbone interact. energy: 0.518
local terms energy: -685.315437
where:
bonds (distance) C4'-P energy: -115.729
bonds (distance) P-C4' energy: -140.106
flat angles C4'-P-C4' energy: -134.872
flat angles P-C4'-P energy: -92.585
tors. eta vs tors. theta energy: -202.024
Dist. restrs. and SS energy: 11.712 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -2237.870018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.870018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.298840 (E_RNA)
where:
Base-Base interactions energy: -1595.734
where: short stacking energy: -688.124
Base-Backbone interact. energy: 2.013
local terms energy: -659.577706
where:
bonds (distance) C4'-P energy: -128.381
bonds (distance) P-C4' energy: -108.769
flat angles C4'-P-C4' energy: -138.867
flat angles P-C4'-P energy: -95.770
tors. eta vs tors. theta energy: -187.791
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: 8, replica: 4
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -2104.957653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.957653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.996921 (E_RNA)
where:
Base-Base interactions energy: -1480.010
where: short stacking energy: -621.483
Base-Backbone interact. energy: -4.281
local terms energy: -634.705703
where:
bonds (distance) C4'-P energy: -111.160
bonds (distance) P-C4' energy: -113.309
flat angles C4'-P-C4' energy: -145.541
flat angles P-C4'-P energy: -84.626
tors. eta vs tors. theta energy: -180.069
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: 9, replica: 6
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -2047.210010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.210010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.130398 (E_RNA)
where:
Base-Base interactions energy: -1446.779
where: short stacking energy: -596.242
Base-Backbone interact. energy: -0.219
local terms energy: -611.131932
where:
bonds (distance) C4'-P energy: -120.667
bonds (distance) P-C4' energy: -112.352
flat angles C4'-P-C4' energy: -139.605
flat angles P-C4'-P energy: -61.198
tors. eta vs tors. theta energy: -177.310
Dist. restrs. and SS energy: 10.920 (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: 5
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -1847.351812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.351812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.884361 (E_RNA)
where:
Base-Base interactions energy: -1286.522
where: short stacking energy: -518.499
Base-Backbone interact. energy: 3.374
local terms energy: -602.736044
where:
bonds (distance) C4'-P energy: -120.255
bonds (distance) P-C4' energy: -120.068
flat angles C4'-P-C4' energy: -129.907
flat angles P-C4'-P energy: -74.250
tors. eta vs tors. theta energy: -158.256
Dist. restrs. and SS energy: 38.533 (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: 141
Temperature: 0.900000
Total energy: -2758.202419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.202419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2763.078729 (E_RNA)
where:
Base-Base interactions energy: -1932.958
where: short stacking energy: -828.113
Base-Backbone interact. energy: 2.324
local terms energy: -832.444898
where:
bonds (distance) C4'-P energy: -144.047
bonds (distance) P-C4' energy: -150.487
flat angles C4'-P-C4' energy: -167.818
flat angles P-C4'-P energy: -127.898
tors. eta vs tors. theta energy: -242.196
Dist. restrs. and SS energy: 4.876 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -2632.786496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.786496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.713954 (E_RNA)
where:
Base-Base interactions energy: -1863.160
where: short stacking energy: -773.160
Base-Backbone interact. energy: -1.847
local terms energy: -771.707501
where:
bonds (distance) C4'-P energy: -131.405
bonds (distance) P-C4' energy: -138.298
flat angles C4'-P-C4' energy: -155.424
flat angles P-C4'-P energy: -113.902
tors. eta vs tors. theta energy: -232.678
Dist. restrs. and SS energy: 3.927 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -2592.349522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.349522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.298619 (E_RNA)
where:
Base-Base interactions energy: -1825.094
where: short stacking energy: -793.476
Base-Backbone interact. energy: -1.212
local terms energy: -769.991958
where:
bonds (distance) C4'-P energy: -138.110
bonds (distance) P-C4' energy: -135.141
flat angles C4'-P-C4' energy: -165.615
flat angles P-C4'-P energy: -108.020
tors. eta vs tors. theta energy: -223.107
Dist. restrs. and SS energy: 3.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -2489.684176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.684176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.946194 (E_RNA)
where:
Base-Base interactions energy: -1742.800
where: short stacking energy: -740.808
Base-Backbone interact. energy: 0.191
local terms energy: -753.336528
where:
bonds (distance) C4'-P energy: -127.700
bonds (distance) P-C4' energy: -141.709
flat angles C4'-P-C4' energy: -163.545
flat angles P-C4'-P energy: -102.069
tors. eta vs tors. theta energy: -218.314
Dist. restrs. and SS energy: 6.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -2392.429824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.429824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.566846 (E_RNA)
where:
Base-Base interactions energy: -1680.555
where: short stacking energy: -706.393
Base-Backbone interact. energy: -1.557
local terms energy: -713.455470
where:
bonds (distance) C4'-P energy: -124.446
bonds (distance) P-C4' energy: -123.847
flat angles C4'-P-C4' energy: -152.145
flat angles P-C4'-P energy: -91.139
tors. eta vs tors. theta energy: -221.878
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: 6, replica: 9
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -2287.206585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.206585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.562653 (E_RNA)
where:
Base-Base interactions energy: -1606.965
where: short stacking energy: -673.834
Base-Backbone interact. energy: -1.023
local terms energy: -688.574637
where:
bonds (distance) C4'-P energy: -124.419
bonds (distance) P-C4' energy: -136.380
flat angles C4'-P-C4' energy: -138.242
flat angles P-C4'-P energy: -86.871
tors. eta vs tors. theta energy: -202.662
Dist. restrs. and SS energy: 9.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -2242.747236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.747236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.830570 (E_RNA)
where:
Base-Base interactions energy: -1607.597
where: short stacking energy: -666.323
Base-Backbone interact. energy: -2.342
local terms energy: -641.891608
where:
bonds (distance) C4'-P energy: -116.885
bonds (distance) P-C4' energy: -127.770
flat angles C4'-P-C4' energy: -122.254
flat angles P-C4'-P energy: -87.338
tors. eta vs tors. theta energy: -187.644
Dist. restrs. and SS energy: 9.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -2127.029922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.029922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.516033 (E_RNA)
where:
Base-Base interactions energy: -1512.694
where: short stacking energy: -625.056
Base-Backbone interact. energy: -3.800
local terms energy: -618.021422
where:
bonds (distance) C4'-P energy: -120.906
bonds (distance) P-C4' energy: -120.005
flat angles C4'-P-C4' energy: -125.373
flat angles P-C4'-P energy: -72.492
tors. eta vs tors. theta energy: -179.245
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: 9, replica: 6
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -2067.254629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.254629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.308698 (E_RNA)
where:
Base-Base interactions energy: -1472.252
where: short stacking energy: -625.295
Base-Backbone interact. energy: 3.407
local terms energy: -611.463429
where:
bonds (distance) C4'-P energy: -115.153
bonds (distance) P-C4' energy: -115.136
flat angles C4'-P-C4' energy: -131.961
flat angles P-C4'-P energy: -77.855
tors. eta vs tors. theta energy: -171.358
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: 10, replica: 5
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -1796.963262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.963262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.395783 (E_RNA)
where:
Base-Base interactions energy: -1270.779
where: short stacking energy: -505.924
Base-Backbone interact. energy: 0.149
local terms energy: -541.765935
where:
bonds (distance) C4'-P energy: -113.198
bonds (distance) P-C4' energy: -94.986
flat angles C4'-P-C4' energy: -123.082
flat angles P-C4'-P energy: -69.753
tors. eta vs tors. theta energy: -140.747
Dist. restrs. and SS energy: 15.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -2729.484944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.484944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.402649 (E_RNA)
where:
Base-Base interactions energy: -1911.207
where: short stacking energy: -821.591
Base-Backbone interact. energy: -2.983
local terms energy: -819.212237
where:
bonds (distance) C4'-P energy: -151.261
bonds (distance) P-C4' energy: -141.102
flat angles C4'-P-C4' energy: -163.806
flat angles P-C4'-P energy: -124.849
tors. eta vs tors. theta energy: -238.195
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: 2
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -2644.229594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.229594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.701344 (E_RNA)
where:
Base-Base interactions energy: -1821.124
where: short stacking energy: -772.808
Base-Backbone interact. energy: -4.186
local terms energy: -824.391512
where:
bonds (distance) C4'-P energy: -145.392
bonds (distance) P-C4' energy: -144.299
flat angles C4'-P-C4' energy: -179.924
flat angles P-C4'-P energy: -122.338
tors. eta vs tors. theta energy: -232.438
Dist. restrs. and SS energy: 5.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -2601.162526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.162526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.799513 (E_RNA)
where:
Base-Base interactions energy: -1840.656
where: short stacking energy: -796.227
Base-Backbone interact. energy: -0.148
local terms energy: -764.996427
where:
bonds (distance) C4'-P energy: -128.183
bonds (distance) P-C4' energy: -143.145
flat angles C4'-P-C4' energy: -165.469
flat angles P-C4'-P energy: -103.490
tors. eta vs tors. theta energy: -224.709
Dist. restrs. and SS energy: 4.637 (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: 1
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -2523.359129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.359129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.244761 (E_RNA)
where:
Base-Base interactions energy: -1765.843
where: short stacking energy: -759.930
Base-Backbone interact. energy: -3.127
local terms energy: -763.274683
where:
bonds (distance) C4'-P energy: -140.622
bonds (distance) P-C4' energy: -116.605
flat angles C4'-P-C4' energy: -157.678
flat angles P-C4'-P energy: -117.844
tors. eta vs tors. theta energy: -230.525
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: 5, replica: 3
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -2388.323785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.323785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.051614 (E_RNA)
where:
Base-Base interactions energy: -1671.903
where: short stacking energy: -666.287
Base-Backbone interact. energy: -1.483
local terms energy: -724.665987
where:
bonds (distance) C4'-P energy: -122.427
bonds (distance) P-C4' energy: -145.809
flat angles C4'-P-C4' energy: -153.431
flat angles P-C4'-P energy: -106.247
tors. eta vs tors. theta energy: -196.753
Dist. restrs. and SS energy: 9.728 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -2253.321694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.321694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.980766 (E_RNA)
where:
Base-Base interactions energy: -1557.671
where: short stacking energy: -681.383
Base-Backbone interact. energy: -3.349
local terms energy: -707.960152
where:
bonds (distance) C4'-P energy: -129.627
bonds (distance) P-C4' energy: -128.576
flat angles C4'-P-C4' energy: -151.775
flat angles P-C4'-P energy: -94.841
tors. eta vs tors. theta energy: -203.141
Dist. restrs. and SS energy: 15.659 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -2240.077178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.077178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.062818 (E_RNA)
where:
Base-Base interactions energy: -1591.176
where: short stacking energy: -675.243
Base-Backbone interact. energy: -1.527
local terms energy: -659.359553
where:
bonds (distance) C4'-P energy: -119.722
bonds (distance) P-C4' energy: -118.998
flat angles C4'-P-C4' energy: -149.626
flat angles P-C4'-P energy: -73.509
tors. eta vs tors. theta energy: -197.504
Dist. restrs. and SS energy: 11.986 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -2115.152063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.152063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.932283 (E_RNA)
where:
Base-Base interactions energy: -1512.175
where: short stacking energy: -644.126
Base-Backbone interact. energy: -1.051
local terms energy: -619.706947
where:
bonds (distance) C4'-P energy: -112.338
bonds (distance) P-C4' energy: -125.305
flat angles C4'-P-C4' energy: -137.679
flat angles P-C4'-P energy: -66.972
tors. eta vs tors. theta energy: -177.414
Dist. restrs. and SS energy: 17.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -2054.822782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.822782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.844752 (E_RNA)
where:
Base-Base interactions energy: -1452.149
where: short stacking energy: -609.739
Base-Backbone interact. energy: -2.126
local terms energy: -612.569833
where:
bonds (distance) C4'-P energy: -109.093
bonds (distance) P-C4' energy: -118.946
flat angles C4'-P-C4' energy: -128.971
flat angles P-C4'-P energy: -88.213
tors. eta vs tors. theta energy: -167.347
Dist. restrs. and SS energy: 12.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -1888.504166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.504166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.734353 (E_RNA)
where:
Base-Base interactions energy: -1331.684
where: short stacking energy: -567.453
Base-Backbone interact. energy: 3.706
local terms energy: -589.755889
where:
bonds (distance) C4'-P energy: -105.388
bonds (distance) P-C4' energy: -145.971
flat angles C4'-P-C4' energy: -118.744
flat angles P-C4'-P energy: -58.813
tors. eta vs tors. theta energy: -160.840
Dist. restrs. and SS energy: 29.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -2737.979622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.979622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.085000 (E_RNA)
where:
Base-Base interactions energy: -1933.103
where: short stacking energy: -813.928
Base-Backbone interact. energy: -2.711
local terms energy: -806.271849
where:
bonds (distance) C4'-P energy: -146.736
bonds (distance) P-C4' energy: -137.151
flat angles C4'-P-C4' energy: -173.562
flat angles P-C4'-P energy: -111.983
tors. eta vs tors. theta energy: -236.841
Dist. restrs. and SS energy: 4.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -2661.361072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.361072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.601165 (E_RNA)
where:
Base-Base interactions energy: -1873.673
where: short stacking energy: -785.549
Base-Backbone interact. energy: -2.789
local terms energy: -789.139867
where:
bonds (distance) C4'-P energy: -146.526
bonds (distance) P-C4' energy: -148.180
flat angles C4'-P-C4' energy: -166.046
flat angles P-C4'-P energy: -108.342
tors. eta vs tors. theta energy: -220.045
Dist. restrs. and SS energy: 4.240 (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: 10
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -2594.540626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.540626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.534980 (E_RNA)
where:
Base-Base interactions energy: -1812.988
where: short stacking energy: -786.360
Base-Backbone interact. energy: -1.713
local terms energy: -783.833877
where:
bonds (distance) C4'-P energy: -133.729
bonds (distance) P-C4' energy: -129.573
flat angles C4'-P-C4' energy: -173.511
flat angles P-C4'-P energy: -116.455
tors. eta vs tors. theta energy: -230.566
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: 4, replica: 1
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -2563.303300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.303300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.468437 (E_RNA)
where:
Base-Base interactions energy: -1805.527
where: short stacking energy: -772.053
Base-Backbone interact. energy: -0.928
local terms energy: -764.013473
where:
bonds (distance) C4'-P energy: -114.035
bonds (distance) P-C4' energy: -137.202
flat angles C4'-P-C4' energy: -167.289
flat angles P-C4'-P energy: -115.510
tors. eta vs tors. theta energy: -229.978
Dist. restrs. and SS energy: 7.165 (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: 3
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -2359.683450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.683450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.847051 (E_RNA)
where:
Base-Base interactions energy: -1647.666
where: short stacking energy: -692.016
Base-Backbone interact. energy: -5.905
local terms energy: -717.276244
where:
bonds (distance) C4'-P energy: -120.299
bonds (distance) P-C4' energy: -140.338
flat angles C4'-P-C4' energy: -151.789
flat angles P-C4'-P energy: -102.335
tors. eta vs tors. theta energy: -202.515
Dist. restrs. and SS energy: 11.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -2280.507185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.507185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.607589 (E_RNA)
where:
Base-Base interactions energy: -1582.479
where: short stacking energy: -689.481
Base-Backbone interact. energy: -0.121
local terms energy: -709.008053
where:
bonds (distance) C4'-P energy: -132.343
bonds (distance) P-C4' energy: -114.671
flat angles C4'-P-C4' energy: -159.774
flat angles P-C4'-P energy: -103.904
tors. eta vs tors. theta energy: -198.316
Dist. restrs. and SS energy: 11.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -2226.839149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.839149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.142857 (E_RNA)
where:
Base-Base interactions energy: -1552.207
where: short stacking energy: -653.699
Base-Backbone interact. energy: -3.908
local terms energy: -683.027638
where:
bonds (distance) C4'-P energy: -129.909
bonds (distance) P-C4' energy: -116.317
flat angles C4'-P-C4' energy: -136.531
flat angles P-C4'-P energy: -93.150
tors. eta vs tors. theta energy: -207.120
Dist. restrs. and SS energy: 12.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -2121.148232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.148232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.857055 (E_RNA)
where:
Base-Base interactions energy: -1496.537
where: short stacking energy: -639.529
Base-Backbone interact. energy: -1.356
local terms energy: -641.964527
where:
bonds (distance) C4'-P energy: -95.928
bonds (distance) P-C4' energy: -143.636
flat angles C4'-P-C4' energy: -137.432
flat angles P-C4'-P energy: -74.725
tors. eta vs tors. theta energy: -190.244
Dist. restrs. and SS energy: 18.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -2045.858630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.858630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.667142 (E_RNA)
where:
Base-Base interactions energy: -1447.497
where: short stacking energy: -572.686
Base-Backbone interact. energy: -0.364
local terms energy: -606.805813
where:
bonds (distance) C4'-P energy: -103.199
bonds (distance) P-C4' energy: -126.978
flat angles C4'-P-C4' energy: -127.789
flat angles P-C4'-P energy: -93.445
tors. eta vs tors. theta energy: -155.395
Dist. restrs. and SS energy: 8.809 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -1901.062141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.062141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.146892 (E_RNA)
where:
Base-Base interactions energy: -1330.727
where: short stacking energy: -539.112
Base-Backbone interact. energy: 1.299
local terms energy: -592.718679
where:
bonds (distance) C4'-P energy: -123.279
bonds (distance) P-C4' energy: -135.441
flat angles C4'-P-C4' energy: -115.400
flat angles P-C4'-P energy: -67.451
tors. eta vs tors. theta energy: -151.147
Dist. restrs. and SS energy: 21.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -2730.572915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.572915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.492844 (E_RNA)
where:
Base-Base interactions energy: -1923.590
where: short stacking energy: -803.344
Base-Backbone interact. energy: -3.489
local terms energy: -807.413448
where:
bonds (distance) C4'-P energy: -149.607
bonds (distance) P-C4' energy: -138.317
flat angles C4'-P-C4' energy: -175.052
flat angles P-C4'-P energy: -107.908
tors. eta vs tors. theta energy: -236.529
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: 2, replica: 2
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -2672.609344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.609344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.856335 (E_RNA)
where:
Base-Base interactions energy: -1869.622
where: short stacking energy: -813.523
Base-Backbone interact. energy: -1.895
local terms energy: -805.338912
where:
bonds (distance) C4'-P energy: -139.837
bonds (distance) P-C4' energy: -145.321
flat angles C4'-P-C4' energy: -169.136
flat angles P-C4'-P energy: -112.746
tors. eta vs tors. theta energy: -238.299
Dist. restrs. and SS energy: 4.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -2618.089364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.089364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.872904 (E_RNA)
where:
Base-Base interactions energy: -1809.531
where: short stacking energy: -785.625
Base-Backbone interact. energy: -3.135
local terms energy: -810.206329
where:
bonds (distance) C4'-P energy: -135.562
bonds (distance) P-C4' energy: -141.742
flat angles C4'-P-C4' energy: -174.471
flat angles P-C4'-P energy: -120.188
tors. eta vs tors. theta energy: -238.243
Dist. restrs. and SS energy: 4.784 (S_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: 144
Temperature: 1.050000
Total energy: -2522.106623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.106623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.273111 (E_RNA)
where:
Base-Base interactions energy: -1759.290
where: short stacking energy: -751.491
Base-Backbone interact. energy: 0.056
local terms energy: -773.039123
where:
bonds (distance) C4'-P energy: -125.102
bonds (distance) P-C4' energy: -128.773
flat angles C4'-P-C4' energy: -170.815
flat angles P-C4'-P energy: -116.209
tors. eta vs tors. theta energy: -232.139
Dist. restrs. and SS energy: 10.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -2422.812682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.812682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.577659 (E_RNA)
where:
Base-Base interactions energy: -1715.463
where: short stacking energy: -716.323
Base-Backbone interact. energy: -1.640
local terms energy: -709.475501
where:
bonds (distance) C4'-P energy: -139.462
bonds (distance) P-C4' energy: -119.199
flat angles C4'-P-C4' energy: -149.678
flat angles P-C4'-P energy: -88.761
tors. eta vs tors. theta energy: -212.376
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: 6, replica: 9
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -2283.271238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.271238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.188843 (E_RNA)
where:
Base-Base interactions energy: -1631.081
where: short stacking energy: -688.836
Base-Backbone interact. energy: 0.582
local terms energy: -667.690564
where:
bonds (distance) C4'-P energy: -117.183
bonds (distance) P-C4' energy: -128.145
flat angles C4'-P-C4' energy: -129.921
flat angles P-C4'-P energy: -90.082
tors. eta vs tors. theta energy: -202.360
Dist. restrs. and SS energy: 14.918 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -2269.010215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.010215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.467675 (E_RNA)
where:
Base-Base interactions energy: -1590.928
where: short stacking energy: -682.432
Base-Backbone interact. energy: 5.082
local terms energy: -693.621717
where:
bonds (distance) C4'-P energy: -139.202
bonds (distance) P-C4' energy: -109.798
flat angles C4'-P-C4' energy: -144.611
flat angles P-C4'-P energy: -98.355
tors. eta vs tors. theta energy: -201.655
Dist. restrs. and SS energy: 10.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -2102.122845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.122845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.356742 (E_RNA)
where:
Base-Base interactions energy: -1512.278
where: short stacking energy: -615.715
Base-Backbone interact. energy: -1.597
local terms energy: -601.482333
where:
bonds (distance) C4'-P energy: -122.565
bonds (distance) P-C4' energy: -109.327
flat angles C4'-P-C4' energy: -142.856
flat angles P-C4'-P energy: -69.894
tors. eta vs tors. theta energy: -156.841
Dist. restrs. and SS energy: 13.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -2039.186393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.186393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.858633 (E_RNA)
where:
Base-Base interactions energy: -1457.662
where: short stacking energy: -599.258
Base-Backbone interact. energy: -2.400
local terms energy: -596.797424
where:
bonds (distance) C4'-P energy: -115.350
bonds (distance) P-C4' energy: -127.051
flat angles C4'-P-C4' energy: -128.151
flat angles P-C4'-P energy: -62.276
tors. eta vs tors. theta energy: -163.969
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: 10, replica: 5
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -1928.583479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.583479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.284819 (E_RNA)
where:
Base-Base interactions energy: -1372.165
where: short stacking energy: -543.208
Base-Backbone interact. energy: -1.392
local terms energy: -571.728171
where:
bonds (distance) C4'-P energy: -108.274
bonds (distance) P-C4' energy: -123.117
flat angles C4'-P-C4' energy: -114.322
flat angles P-C4'-P energy: -83.553
tors. eta vs tors. theta energy: -142.462
Dist. restrs. and SS energy: 16.701 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -2740.883641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.883641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.481753 (E_RNA)
where:
Base-Base interactions energy: -1917.104
where: short stacking energy: -845.769
Base-Backbone interact. energy: -6.002
local terms energy: -823.374995
where:
bonds (distance) C4'-P energy: -144.350
bonds (distance) P-C4' energy: -131.464
flat angles C4'-P-C4' energy: -177.617
flat angles P-C4'-P energy: -120.244
tors. eta vs tors. theta energy: -249.700
Dist. restrs. and SS energy: 5.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -2684.974704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.974704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.553879 (E_RNA)
where:
Base-Base interactions energy: -1894.274
where: short stacking energy: -798.707
Base-Backbone interact. energy: -2.440
local terms energy: -790.840134
where:
bonds (distance) C4'-P energy: -130.558
bonds (distance) P-C4' energy: -137.656
flat angles C4'-P-C4' energy: -165.734
flat angles P-C4'-P energy: -116.087
tors. eta vs tors. theta energy: -240.805
Dist. restrs. and SS energy: 2.579 (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: 10
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -2643.526579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.526579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.676346 (E_RNA)
where:
Base-Base interactions energy: -1841.507
where: short stacking energy: -781.360
Base-Backbone interact. energy: -4.747
local terms energy: -800.422683
where:
bonds (distance) C4'-P energy: -135.985
bonds (distance) P-C4' energy: -148.995
flat angles C4'-P-C4' energy: -176.191
flat angles P-C4'-P energy: -111.786
tors. eta vs tors. theta energy: -227.466
Dist. restrs. and SS energy: 3.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -2436.475621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.475621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.112568 (E_RNA)
where:
Base-Base interactions energy: -1708.897
where: short stacking energy: -734.219
Base-Backbone interact. energy: -2.639
local terms energy: -735.577227
where:
bonds (distance) C4'-P energy: -133.034
bonds (distance) P-C4' energy: -141.745
flat angles C4'-P-C4' energy: -143.371
flat angles P-C4'-P energy: -101.936
tors. eta vs tors. theta energy: -215.490
Dist. restrs. and SS energy: 10.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -2467.271235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.271235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.007086 (E_RNA)
where:
Base-Base interactions energy: -1738.908
where: short stacking energy: -722.047
Base-Backbone interact. energy: -0.463
local terms energy: -739.636304
where:
bonds (distance) C4'-P energy: -127.213
bonds (distance) P-C4' energy: -147.846
flat angles C4'-P-C4' energy: -149.722
flat angles P-C4'-P energy: -99.044
tors. eta vs tors. theta energy: -215.811
Dist. restrs. and SS energy: 11.736 (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: 145
Temperature: 1.150000
Total energy: -2266.862198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.862198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.307459 (E_RNA)
where:
Base-Base interactions energy: -1601.387
where: short stacking energy: -665.079
Base-Backbone interact. energy: 4.405
local terms energy: -689.325263
where:
bonds (distance) C4'-P energy: -109.792
bonds (distance) P-C4' energy: -134.677
flat angles C4'-P-C4' energy: -158.464
flat angles P-C4'-P energy: -91.773
tors. eta vs tors. theta energy: -194.619
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: 7, replica: 7
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -2242.627959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.627959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.440477 (E_RNA)
where:
Base-Base interactions energy: -1583.556
where: short stacking energy: -668.961
Base-Backbone interact. energy: 3.432
local terms energy: -675.316596
where:
bonds (distance) C4'-P energy: -112.848
bonds (distance) P-C4' energy: -125.691
flat angles C4'-P-C4' energy: -149.813
flat angles P-C4'-P energy: -86.190
tors. eta vs tors. theta energy: -200.775
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: 8, replica: 6
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -2110.275042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.275042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.176459 (E_RNA)
where:
Base-Base interactions energy: -1462.892
where: short stacking energy: -620.142
Base-Backbone interact. energy: -5.100
local terms energy: -655.183962
where:
bonds (distance) C4'-P energy: -122.785
bonds (distance) P-C4' energy: -126.684
flat angles C4'-P-C4' energy: -143.672
flat angles P-C4'-P energy: -95.286
tors. eta vs tors. theta energy: -166.757
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: 9, replica: 4
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -2046.400061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.400061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.495833 (E_RNA)
where:
Base-Base interactions energy: -1453.100
where: short stacking energy: -584.334
Base-Backbone interact. energy: 4.958
local terms energy: -606.353509
where:
bonds (distance) C4'-P energy: -126.678
bonds (distance) P-C4' energy: -115.630
flat angles C4'-P-C4' energy: -125.134
flat angles P-C4'-P energy: -77.864
tors. eta vs tors. theta energy: -161.048
Dist. restrs. and SS energy: 8.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -1985.023623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.023623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.586214 (E_RNA)
where:
Base-Base interactions energy: -1407.802
where: short stacking energy: -569.262
Base-Backbone interact. energy: 1.055
local terms energy: -596.840017
where:
bonds (distance) C4'-P energy: -117.316
bonds (distance) P-C4' energy: -109.698
flat angles C4'-P-C4' energy: -123.308
flat angles P-C4'-P energy: -89.272
tors. eta vs tors. theta energy: -157.245
Dist. restrs. and SS energy: 18.563 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -2727.683495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.683495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.287967 (E_RNA)
where:
Base-Base interactions energy: -1899.766
where: short stacking energy: -813.882
Base-Backbone interact. energy: 0.242
local terms energy: -830.763669
where:
bonds (distance) C4'-P energy: -130.184
bonds (distance) P-C4' energy: -153.495
flat angles C4'-P-C4' energy: -177.253
flat angles P-C4'-P energy: -121.977
tors. eta vs tors. theta energy: -247.854
Dist. restrs. and SS energy: 2.604 (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: 2
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -2660.163760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.163760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.174436 (E_RNA)
where:
Base-Base interactions energy: -1884.448
where: short stacking energy: -815.598
Base-Backbone interact. energy: 0.823
local terms energy: -778.548808
where:
bonds (distance) C4'-P energy: -152.712
bonds (distance) P-C4' energy: -136.132
flat angles C4'-P-C4' energy: -157.578
flat angles P-C4'-P energy: -96.248
tors. eta vs tors. theta energy: -235.879
Dist. restrs. and SS energy: 2.011 (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: 10
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -2633.678044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.678044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.179025 (E_RNA)
where:
Base-Base interactions energy: -1845.925
where: short stacking energy: -753.433
Base-Backbone interact. energy: -2.522
local terms energy: -788.731587
where:
bonds (distance) C4'-P energy: -131.927
bonds (distance) P-C4' energy: -135.458
flat angles C4'-P-C4' energy: -174.382
flat angles P-C4'-P energy: -115.635
tors. eta vs tors. theta energy: -231.330
Dist. restrs. and SS energy: 3.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -2460.603013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.603013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.808249 (E_RNA)
where:
Base-Base interactions energy: -1730.296
where: short stacking energy: -736.756
Base-Backbone interact. energy: -2.355
local terms energy: -734.157566
where:
bonds (distance) C4'-P energy: -116.341
bonds (distance) P-C4' energy: -145.048
flat angles C4'-P-C4' energy: -149.688
flat angles P-C4'-P energy: -108.258
tors. eta vs tors. theta energy: -214.822
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: 5, replica: 1
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -2410.086058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.086058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.104906 (E_RNA)
where:
Base-Base interactions energy: -1706.411
where: short stacking energy: -709.870
Base-Backbone interact. energy: -5.231
local terms energy: -712.462733
where:
bonds (distance) C4'-P energy: -122.869
bonds (distance) P-C4' energy: -127.999
flat angles C4'-P-C4' energy: -144.182
flat angles P-C4'-P energy: -106.384
tors. eta vs tors. theta energy: -211.030
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: 6, replica: 9
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -2350.228449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.228449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.273360 (E_RNA)
where:
Base-Base interactions energy: -1657.945
where: short stacking energy: -704.778
Base-Backbone interact. energy: -5.097
local terms energy: -700.231118
where:
bonds (distance) C4'-P energy: -124.534
bonds (distance) P-C4' energy: -105.949
flat angles C4'-P-C4' energy: -159.184
flat angles P-C4'-P energy: -93.650
tors. eta vs tors. theta energy: -216.914
Dist. restrs. and SS energy: 13.045 (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: 7
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -2250.622415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.622415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.987783 (E_RNA)
where:
Base-Base interactions energy: -1547.717
where: short stacking energy: -654.921
Base-Backbone interact. energy: -2.286
local terms energy: -711.985339
where:
bonds (distance) C4'-P energy: -130.628
bonds (distance) P-C4' energy: -143.627
flat angles C4'-P-C4' energy: -145.799
flat angles P-C4'-P energy: -94.871
tors. eta vs tors. theta energy: -197.061
Dist. restrs. and SS energy: 11.365 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -2132.320756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.320756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.216876 (E_RNA)
where:
Base-Base interactions energy: -1499.939
where: short stacking energy: -611.514
Base-Backbone interact. energy: -3.464
local terms energy: -641.813494
where:
bonds (distance) C4'-P energy: -120.008
bonds (distance) P-C4' energy: -115.402
flat angles C4'-P-C4' energy: -150.311
flat angles P-C4'-P energy: -81.093
tors. eta vs tors. theta energy: -174.999
Dist. restrs. and SS energy: 12.896 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -2095.392631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.392631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.429605 (E_RNA)
where:
Base-Base interactions energy: -1486.018
where: short stacking energy: -619.459
Base-Backbone interact. energy: 0.589
local terms energy: -621.000616
where:
bonds (distance) C4'-P energy: -111.947
bonds (distance) P-C4' energy: -118.737
flat angles C4'-P-C4' energy: -126.322
flat angles P-C4'-P energy: -86.150
tors. eta vs tors. theta energy: -177.845
Dist. restrs. and SS energy: 11.037 (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: 5
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -1991.595173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.595173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.555885 (E_RNA)
where:
Base-Base interactions energy: -1418.359
where: short stacking energy: -584.156
Base-Backbone interact. energy: -0.152
local terms energy: -597.045339
where:
bonds (distance) C4'-P energy: -125.756
bonds (distance) P-C4' energy: -105.767
flat angles C4'-P-C4' energy: -110.522
flat angles P-C4'-P energy: -81.757
tors. eta vs tors. theta energy: -173.244
Dist. restrs. and SS energy: 23.961 (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: 8
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -2747.973954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2747.973954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2751.163202 (E_RNA)
where:
Base-Base interactions energy: -1922.749
where: short stacking energy: -814.227
Base-Backbone interact. energy: -3.183
local terms energy: -825.232064
where:
bonds (distance) C4'-P energy: -149.712
bonds (distance) P-C4' energy: -152.366
flat angles C4'-P-C4' energy: -166.922
flat angles P-C4'-P energy: -119.932
tors. eta vs tors. theta energy: -236.300
Dist. restrs. and SS energy: 3.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -2669.370657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.370657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.916884 (E_RNA)
where:
Base-Base interactions energy: -1876.590
where: short stacking energy: -795.013
Base-Backbone interact. energy: -1.850
local terms energy: -793.476837
where:
bonds (distance) C4'-P energy: -139.508
bonds (distance) P-C4' energy: -142.051
flat angles C4'-P-C4' energy: -168.115
flat angles P-C4'-P energy: -116.326
tors. eta vs tors. theta energy: -227.477
Dist. restrs. and SS energy: 2.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -2611.324646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.324646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.892268 (E_RNA)
where:
Base-Base interactions energy: -1837.077
where: short stacking energy: -772.243
Base-Backbone interact. energy: -5.698
local terms energy: -771.116429
where:
bonds (distance) C4'-P energy: -151.780
bonds (distance) P-C4' energy: -131.739
flat angles C4'-P-C4' energy: -153.532
flat angles P-C4'-P energy: -107.111
tors. eta vs tors. theta energy: -226.955
Dist. restrs. and SS energy: 2.568 (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: 147
Temperature: 1.050000
Total energy: -2452.625735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.625735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.758200 (E_RNA)
where:
Base-Base interactions energy: -1701.931
where: short stacking energy: -746.667
Base-Backbone interact. energy: -4.744
local terms energy: -755.083298
where:
bonds (distance) C4'-P energy: -123.691
bonds (distance) P-C4' energy: -142.426
flat angles C4'-P-C4' energy: -167.082
flat angles P-C4'-P energy: -101.181
tors. eta vs tors. theta energy: -220.703
Dist. restrs. and SS energy: 9.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -2411.391364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.391364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.961299 (E_RNA)
where:
Base-Base interactions energy: -1706.959
where: short stacking energy: -694.719
Base-Backbone interact. energy: -1.694
local terms energy: -712.307804
where:
bonds (distance) C4'-P energy: -125.333
bonds (distance) P-C4' energy: -115.253
flat angles C4'-P-C4' energy: -142.245
flat angles P-C4'-P energy: -124.874
tors. eta vs tors. theta energy: -204.602
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: 6, replica: 9
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -2322.013288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.013288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.750825 (E_RNA)
where:
Base-Base interactions energy: -1602.722
where: short stacking energy: -684.316
Base-Backbone interact. energy: -3.645
local terms energy: -728.384068
where:
bonds (distance) C4'-P energy: -127.456
bonds (distance) P-C4' energy: -130.809
flat angles C4'-P-C4' energy: -151.476
flat angles P-C4'-P energy: -110.596
tors. eta vs tors. theta energy: -208.047
Dist. restrs. and SS energy: 12.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -2184.969909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.969909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.364804 (E_RNA)
where:
Base-Base interactions energy: -1550.843
where: short stacking energy: -622.570
Base-Backbone interact. energy: -0.538
local terms energy: -645.984507
where:
bonds (distance) C4'-P energy: -123.275
bonds (distance) P-C4' energy: -100.868
flat angles C4'-P-C4' energy: -144.403
flat angles P-C4'-P energy: -91.903
tors. eta vs tors. theta energy: -185.536
Dist. restrs. and SS energy: 12.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -2091.053400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.053400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.702412 (E_RNA)
where:
Base-Base interactions energy: -1471.855
where: short stacking energy: -597.718
Base-Backbone interact. energy: -4.229
local terms energy: -628.618149
where:
bonds (distance) C4'-P energy: -125.150
bonds (distance) P-C4' energy: -111.347
flat angles C4'-P-C4' energy: -138.716
flat angles P-C4'-P energy: -97.843
tors. eta vs tors. theta energy: -155.563
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: 9, replica: 4
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -2074.341065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.341065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.151096 (E_RNA)
where:
Base-Base interactions energy: -1440.312
where: short stacking energy: -582.458
Base-Backbone interact. energy: -1.963
local terms energy: -648.875993
where:
bonds (distance) C4'-P energy: -116.618
bonds (distance) P-C4' energy: -119.032
flat angles C4'-P-C4' energy: -152.798
flat angles P-C4'-P energy: -92.365
tors. eta vs tors. theta energy: -168.062
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: 10, replica: 5
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -2005.155673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.155673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.805263 (E_RNA)
where:
Base-Base interactions energy: -1399.297
where: short stacking energy: -569.332
Base-Backbone interact. energy: 0.722
local terms energy: -626.230414
where:
bonds (distance) C4'-P energy: -114.958
bonds (distance) P-C4' energy: -119.393
flat angles C4'-P-C4' energy: -151.556
flat angles P-C4'-P energy: -76.478
tors. eta vs tors. theta energy: -163.846
Dist. restrs. and SS energy: 19.650 (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: 8
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -2723.175851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.175851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.409579 (E_RNA)
where:
Base-Base interactions energy: -1882.211
where: short stacking energy: -789.677
Base-Backbone interact. energy: -5.670
local terms energy: -838.529316
where:
bonds (distance) C4'-P energy: -162.388
bonds (distance) P-C4' energy: -138.302
flat angles C4'-P-C4' energy: -176.128
flat angles P-C4'-P energy: -119.060
tors. eta vs tors. theta energy: -242.651
Dist. restrs. and SS energy: 3.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -2670.185331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.185331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.610451 (E_RNA)
where:
Base-Base interactions energy: -1876.363
where: short stacking energy: -794.982
Base-Backbone interact. energy: -0.995
local terms energy: -795.252864
where:
bonds (distance) C4'-P energy: -148.951
bonds (distance) P-C4' energy: -138.901
flat angles C4'-P-C4' energy: -165.500
flat angles P-C4'-P energy: -111.400
tors. eta vs tors. theta energy: -230.501
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: 3, replica: 10
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -2603.727683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.727683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.179664 (E_RNA)
where:
Base-Base interactions energy: -1827.164
where: short stacking energy: -775.399
Base-Backbone interact. energy: -4.797
local terms energy: -776.218892
where:
bonds (distance) C4'-P energy: -123.872
bonds (distance) P-C4' energy: -150.807
flat angles C4'-P-C4' energy: -154.100
flat angles P-C4'-P energy: -109.427
tors. eta vs tors. theta energy: -238.012
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: 4, replica: 1
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -2490.224218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.224218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.868768 (E_RNA)
where:
Base-Base interactions energy: -1731.061
where: short stacking energy: -729.979
Base-Backbone interact. energy: -3.586
local terms energy: -764.221723
where:
bonds (distance) C4'-P energy: -129.011
bonds (distance) P-C4' energy: -138.152
flat angles C4'-P-C4' energy: -160.992
flat angles P-C4'-P energy: -117.630
tors. eta vs tors. theta energy: -218.437
Dist. restrs. and SS energy: 8.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -2448.790058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.790058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.195050 (E_RNA)
where:
Base-Base interactions energy: -1694.147
where: short stacking energy: -736.428
Base-Backbone interact. energy: -3.893
local terms energy: -757.155240
where:
bonds (distance) C4'-P energy: -133.518
bonds (distance) P-C4' energy: -140.077
flat angles C4'-P-C4' energy: -159.797
flat angles P-C4'-P energy: -107.676
tors. eta vs tors. theta energy: -216.088
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: 6, replica: 9
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -2320.022016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.022016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.497859 (E_RNA)
where:
Base-Base interactions energy: -1594.068
where: short stacking energy: -673.457
Base-Backbone interact. energy: -2.067
local terms energy: -739.362574
where:
bonds (distance) C4'-P energy: -124.074
bonds (distance) P-C4' energy: -145.531
flat angles C4'-P-C4' energy: -154.912
flat angles P-C4'-P energy: -110.234
tors. eta vs tors. theta energy: -204.611
Dist. restrs. and SS energy: 15.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -2183.554641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.554641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.414652 (E_RNA)
where:
Base-Base interactions energy: -1534.195
where: short stacking energy: -624.464
Base-Backbone interact. energy: 0.618
local terms energy: -662.837789
where:
bonds (distance) C4'-P energy: -114.535
bonds (distance) P-C4' energy: -129.165
flat angles C4'-P-C4' energy: -150.374
flat angles P-C4'-P energy: -75.617
tors. eta vs tors. theta energy: -193.147
Dist. restrs. and SS energy: 12.860 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -2114.616387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.616387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.002744 (E_RNA)
where:
Base-Base interactions energy: -1511.978
where: short stacking energy: -630.924
Base-Backbone interact. energy: 2.077
local terms energy: -614.101226
where:
bonds (distance) C4'-P energy: -106.181
bonds (distance) P-C4' energy: -106.143
flat angles C4'-P-C4' energy: -144.263
flat angles P-C4'-P energy: -91.590
tors. eta vs tors. theta energy: -165.923
Dist. restrs. and SS energy: 9.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -2053.544994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.544994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.906265 (E_RNA)
where:
Base-Base interactions energy: -1451.252
where: short stacking energy: -596.007
Base-Backbone interact. energy: 3.061
local terms energy: -623.715349
where:
bonds (distance) C4'-P energy: -129.452
bonds (distance) P-C4' energy: -130.107
flat angles C4'-P-C4' energy: -135.715
flat angles P-C4'-P energy: -72.588
tors. eta vs tors. theta energy: -155.853
Dist. restrs. and SS energy: 18.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -2055.095408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.095408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.822007 (E_RNA)
where:
Base-Base interactions energy: -1455.736
where: short stacking energy: -616.525
Base-Backbone interact. energy: -1.274
local terms energy: -615.812085
where:
bonds (distance) C4'-P energy: -94.872
bonds (distance) P-C4' energy: -102.398
flat angles C4'-P-C4' energy: -134.437
flat angles P-C4'-P energy: -84.099
tors. eta vs tors. theta energy: -200.006
Dist. restrs. and SS energy: 17.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -2735.781926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.781926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.234307 (E_RNA)
where:
Base-Base interactions energy: -1917.910
where: short stacking energy: -812.894
Base-Backbone interact. energy: -3.009
local terms energy: -819.315471
where:
bonds (distance) C4'-P energy: -144.435
bonds (distance) P-C4' energy: -141.334
flat angles C4'-P-C4' energy: -168.463
flat angles P-C4'-P energy: -126.755
tors. eta vs tors. theta energy: -238.329
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: 2, replica: 2
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -2687.982520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.982520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.089769 (E_RNA)
where:
Base-Base interactions energy: -1899.391
where: short stacking energy: -831.694
Base-Backbone interact. energy: 4.854
local terms energy: -797.553262
where:
bonds (distance) C4'-P energy: -150.649
bonds (distance) P-C4' energy: -137.803
flat angles C4'-P-C4' energy: -165.610
flat angles P-C4'-P energy: -106.385
tors. eta vs tors. theta energy: -237.106
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: 3, replica: 10
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -2615.663063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.663063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.511933 (E_RNA)
where:
Base-Base interactions energy: -1827.084
where: short stacking energy: -787.470
Base-Backbone interact. energy: -3.565
local terms energy: -789.862655
where:
bonds (distance) C4'-P energy: -122.314
bonds (distance) P-C4' energy: -139.352
flat angles C4'-P-C4' energy: -172.133
flat angles P-C4'-P energy: -117.417
tors. eta vs tors. theta energy: -238.647
Dist. restrs. and SS energy: 4.849 (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: 3
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -2482.712055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.712055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.204694 (E_RNA)
where:
Base-Base interactions energy: -1774.346
where: short stacking energy: -764.981
Base-Backbone interact. energy: 5.751
local terms energy: -720.609325
where:
bonds (distance) C4'-P energy: -121.720
bonds (distance) P-C4' energy: -127.189
flat angles C4'-P-C4' energy: -155.148
flat angles P-C4'-P energy: -104.439
tors. eta vs tors. theta energy: -212.114
Dist. restrs. and SS energy: 6.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -2382.977287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.977287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.709132 (E_RNA)
where:
Base-Base interactions energy: -1634.100
where: short stacking energy: -680.452
Base-Backbone interact. energy: -4.361
local terms energy: -754.247395
where:
bonds (distance) C4'-P energy: -150.297
bonds (distance) P-C4' energy: -140.731
flat angles C4'-P-C4' energy: -153.482
flat angles P-C4'-P energy: -105.899
tors. eta vs tors. theta energy: -203.838
Dist. restrs. and SS energy: 9.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -2300.929632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.929632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.876866 (E_RNA)
where:
Base-Base interactions energy: -1616.799
where: short stacking energy: -683.843
Base-Backbone interact. energy: -2.143
local terms energy: -693.934916
where:
bonds (distance) C4'-P energy: -123.363
bonds (distance) P-C4' energy: -126.192
flat angles C4'-P-C4' energy: -139.902
flat angles P-C4'-P energy: -95.272
tors. eta vs tors. theta energy: -209.207
Dist. restrs. and SS energy: 11.947 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -2163.317838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.317838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.182399 (E_RNA)
where:
Base-Base interactions energy: -1492.599
where: short stacking energy: -630.143
Base-Backbone interact. energy: -0.048
local terms energy: -692.535248
where:
bonds (distance) C4'-P energy: -130.427
bonds (distance) P-C4' energy: -135.907
flat angles C4'-P-C4' energy: -139.980
flat angles P-C4'-P energy: -102.695
tors. eta vs tors. theta energy: -183.526
Dist. restrs. and SS energy: 21.865 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -2144.167363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.167363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.523279 (E_RNA)
where:
Base-Base interactions energy: -1522.947
where: short stacking energy: -631.091
Base-Backbone interact. energy: -2.039
local terms energy: -632.537500
where:
bonds (distance) C4'-P energy: -103.871
bonds (distance) P-C4' energy: -127.669
flat angles C4'-P-C4' energy: -134.048
flat angles P-C4'-P energy: -99.241
tors. eta vs tors. theta energy: -167.709
Dist. restrs. and SS energy: 13.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -2053.814500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.814500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.727593 (E_RNA)
where:
Base-Base interactions energy: -1469.292
where: short stacking energy: -608.634
Base-Backbone interact. energy: -0.455
local terms energy: -596.981349
where:
bonds (distance) C4'-P energy: -113.009
bonds (distance) P-C4' energy: -111.748
flat angles C4'-P-C4' energy: -127.191
flat angles P-C4'-P energy: -78.671
tors. eta vs tors. theta energy: -166.362
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: 10, replica: 5
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -1960.805752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.805752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.329877 (E_RNA)
where:
Base-Base interactions energy: -1390.922
where: short stacking energy: -610.475
Base-Backbone interact. energy: -1.466
local terms energy: -591.941810
where:
bonds (distance) C4'-P energy: -108.614
bonds (distance) P-C4' energy: -120.244
flat angles C4'-P-C4' energy: -137.305
flat angles P-C4'-P energy: -63.593
tors. eta vs tors. theta energy: -162.185
Dist. restrs. and SS energy: 23.524 (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: 8
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -2721.218816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.218816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.932381 (E_RNA)
where:
Base-Base interactions energy: -1913.907
where: short stacking energy: -802.937
Base-Backbone interact. energy: 0.333
local terms energy: -810.358092
where:
bonds (distance) C4'-P energy: -144.351
bonds (distance) P-C4' energy: -142.855
flat angles C4'-P-C4' energy: -166.061
flat angles P-C4'-P energy: -117.839
tors. eta vs tors. theta energy: -239.252
Dist. restrs. and SS energy: 2.714 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -2673.270214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.270214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.419960 (E_RNA)
where:
Base-Base interactions energy: -1849.348
where: short stacking energy: -804.254
Base-Backbone interact. energy: -0.659
local terms energy: -826.412747
where:
bonds (distance) C4'-P energy: -130.784
bonds (distance) P-C4' energy: -153.379
flat angles C4'-P-C4' energy: -176.520
flat angles P-C4'-P energy: -126.055
tors. eta vs tors. theta energy: -239.675
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: 150
Temperature: 1.000000
Total energy: -2629.688292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.688292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.236230 (E_RNA)
where:
Base-Base interactions energy: -1853.678
where: short stacking energy: -796.767
Base-Backbone interact. energy: -6.179
local terms energy: -774.379246
where:
bonds (distance) C4'-P energy: -128.191
bonds (distance) P-C4' energy: -148.431
flat angles C4'-P-C4' energy: -156.187
flat angles P-C4'-P energy: -109.752
tors. eta vs tors. theta energy: -231.819
Dist. restrs. and SS energy: 4.548 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -2484.666663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.666663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.737622 (E_RNA)
where:
Base-Base interactions energy: -1729.895
where: short stacking energy: -761.241
Base-Backbone interact. energy: -3.861
local terms energy: -756.981592
where:
bonds (distance) C4'-P energy: -132.111
bonds (distance) P-C4' energy: -145.827
flat angles C4'-P-C4' energy: -155.300
flat angles P-C4'-P energy: -101.928
tors. eta vs tors. theta energy: -221.816
Dist. restrs. and SS energy: 6.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -2408.425880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.425880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.503433 (E_RNA)
where:
Base-Base interactions energy: -1691.974
where: short stacking energy: -702.141
Base-Backbone interact. energy: -2.313
local terms energy: -720.216965
where:
bonds (distance) C4'-P energy: -117.564
bonds (distance) P-C4' energy: -129.345
flat angles C4'-P-C4' energy: -153.864
flat angles P-C4'-P energy: -105.440
tors. eta vs tors. theta energy: -214.004
Dist. restrs. and SS energy: 6.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -2334.109895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.109895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.251307 (E_RNA)
where:
Base-Base interactions energy: -1648.582
where: short stacking energy: -696.565
Base-Backbone interact. energy: 1.433
local terms energy: -701.102380
where:
bonds (distance) C4'-P energy: -118.907
bonds (distance) P-C4' energy: -142.100
flat angles C4'-P-C4' energy: -142.496
flat angles P-C4'-P energy: -93.249
tors. eta vs tors. theta energy: -204.350
Dist. restrs. and SS energy: 14.141 (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: 7
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -2164.933817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.933817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.554213 (E_RNA)
where:
Base-Base interactions energy: -1520.618
where: short stacking energy: -636.785
Base-Backbone interact. energy: 0.848
local terms energy: -659.784430
where:
bonds (distance) C4'-P energy: -115.925
bonds (distance) P-C4' energy: -121.694
flat angles C4'-P-C4' energy: -151.862
flat angles P-C4'-P energy: -87.078
tors. eta vs tors. theta energy: -183.226
Dist. restrs. and SS energy: 14.620 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -2134.636236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.636236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.656211 (E_RNA)
where:
Base-Base interactions energy: -1492.425
where: short stacking energy: -618.501
Base-Backbone interact. energy: -1.670
local terms energy: -648.561451
where:
bonds (distance) C4'-P energy: -101.507
bonds (distance) P-C4' energy: -139.147
flat angles C4'-P-C4' energy: -148.917
flat angles P-C4'-P energy: -81.352
tors. eta vs tors. theta energy: -177.638
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: 9, replica: 5
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -2011.681135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.681135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.155321 (E_RNA)
where:
Base-Base interactions energy: -1416.012
where: short stacking energy: -586.372
Base-Backbone interact. energy: -2.892
local terms energy: -606.251302
where:
bonds (distance) C4'-P energy: -97.205
bonds (distance) P-C4' energy: -128.891
flat angles C4'-P-C4' energy: -118.088
flat angles P-C4'-P energy: -99.761
tors. eta vs tors. theta energy: -162.308
Dist. restrs. and SS energy: 13.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -1912.772014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.772014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.352596 (E_RNA)
where:
Base-Base interactions energy: -1375.927
where: short stacking energy: -583.728
Base-Backbone interact. energy: -3.601
local terms energy: -553.825339
where:
bonds (distance) C4'-P energy: -101.996
bonds (distance) P-C4' energy: -98.028
flat angles C4'-P-C4' energy: -124.064
flat angles P-C4'-P energy: -73.790
tors. eta vs tors. theta energy: -155.948
Dist. restrs. and SS energy: 20.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -2723.006214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.006214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.045550 (E_RNA)
where:
Base-Base interactions energy: -1896.246
where: short stacking energy: -797.623
Base-Backbone interact. energy: -1.672
local terms energy: -830.126723
where:
bonds (distance) C4'-P energy: -143.078
bonds (distance) P-C4' energy: -158.675
flat angles C4'-P-C4' energy: -175.738
flat angles P-C4'-P energy: -115.903
tors. eta vs tors. theta energy: -236.733
Dist. restrs. and SS energy: 5.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -2669.176445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.176445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.059347 (E_RNA)
where:
Base-Base interactions energy: -1879.157
where: short stacking energy: -819.574
Base-Backbone interact. energy: -2.934
local terms energy: -792.968643
where:
bonds (distance) C4'-P energy: -125.445
bonds (distance) P-C4' energy: -145.525
flat angles C4'-P-C4' energy: -173.598
flat angles P-C4'-P energy: -111.651
tors. eta vs tors. theta energy: -236.750
Dist. restrs. and SS energy: 5.883 (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: 10
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -2630.261523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.261523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.730958 (E_RNA)
where:
Base-Base interactions energy: -1826.509
where: short stacking energy: -784.646
Base-Backbone interact. energy: -4.158
local terms energy: -804.064577
where:
bonds (distance) C4'-P energy: -148.294
bonds (distance) P-C4' energy: -132.925
flat angles C4'-P-C4' energy: -163.241
flat angles P-C4'-P energy: -122.092
tors. eta vs tors. theta energy: -237.513
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: 4, replica: 1
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -2497.089988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.089988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.054094 (E_RNA)
where:
Base-Base interactions energy: -1751.988
where: short stacking energy: -756.989
Base-Backbone interact. energy: -1.695
local terms energy: -748.370827
where:
bonds (distance) C4'-P energy: -128.992
bonds (distance) P-C4' energy: -129.999
flat angles C4'-P-C4' energy: -164.564
flat angles P-C4'-P energy: -110.411
tors. eta vs tors. theta energy: -214.405
Dist. restrs. and SS energy: 4.964 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -2374.373080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.373080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.557645 (E_RNA)
where:
Base-Base interactions energy: -1652.056
where: short stacking energy: -688.319
Base-Backbone interact. energy: -0.839
local terms energy: -730.662215
where:
bonds (distance) C4'-P energy: -126.699
bonds (distance) P-C4' energy: -132.043
flat angles C4'-P-C4' energy: -149.267
flat angles P-C4'-P energy: -112.626
tors. eta vs tors. theta energy: -210.027
Dist. restrs. and SS energy: 9.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -2371.380476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.380476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.126678 (E_RNA)
where:
Base-Base interactions energy: -1666.786
where: short stacking energy: -713.325
Base-Backbone interact. energy: -5.124
local terms energy: -727.216105
where:
bonds (distance) C4'-P energy: -125.681
bonds (distance) P-C4' energy: -132.968
flat angles C4'-P-C4' energy: -153.268
flat angles P-C4'-P energy: -96.342
tors. eta vs tors. theta energy: -218.958
Dist. restrs. and SS energy: 27.746 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -2195.228282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.228282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.933109 (E_RNA)
where:
Base-Base interactions energy: -1543.732
where: short stacking energy: -654.811
Base-Backbone interact. energy: -1.845
local terms energy: -665.356042
where:
bonds (distance) C4'-P energy: -115.835
bonds (distance) P-C4' energy: -130.394
flat angles C4'-P-C4' energy: -154.834
flat angles P-C4'-P energy: -79.298
tors. eta vs tors. theta energy: -184.995
Dist. restrs. and SS energy: 15.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -2159.026078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.026078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.733832 (E_RNA)
where:
Base-Base interactions energy: -1536.344
where: short stacking energy: -619.659
Base-Backbone interact. energy: -0.614
local terms energy: -634.775930
where:
bonds (distance) C4'-P energy: -108.092
bonds (distance) P-C4' energy: -121.931
flat angles C4'-P-C4' energy: -133.807
flat angles P-C4'-P energy: -99.476
tors. eta vs tors. theta energy: -171.471
Dist. restrs. and SS energy: 12.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -2086.295476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.295476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.318709 (E_RNA)
where:
Base-Base interactions energy: -1461.617
where: short stacking energy: -602.281
Base-Backbone interact. energy: 1.322
local terms energy: -640.024460
where:
bonds (distance) C4'-P energy: -128.056
bonds (distance) P-C4' energy: -117.407
flat angles C4'-P-C4' energy: -137.614
flat angles P-C4'-P energy: -87.726
tors. eta vs tors. theta energy: -169.221
Dist. restrs. and SS energy: 14.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -1899.865587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.865587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.861306 (E_RNA)
where:
Base-Base interactions energy: -1333.176
where: short stacking energy: -568.317
Base-Backbone interact. energy: 13.581
local terms energy: -603.266784
where:
bonds (distance) C4'-P energy: -133.155
bonds (distance) P-C4' energy: -96.389
flat angles C4'-P-C4' energy: -135.245
flat angles P-C4'-P energy: -85.242
tors. eta vs tors. theta energy: -153.236
Dist. restrs. and SS energy: 22.996 (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: 8
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -2709.956370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.956370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.752273 (E_RNA)
where:
Base-Base interactions energy: -1909.538
where: short stacking energy: -804.411
Base-Backbone interact. energy: -1.613
local terms energy: -800.600724
where:
bonds (distance) C4'-P energy: -152.294
bonds (distance) P-C4' energy: -135.139
flat angles C4'-P-C4' energy: -161.161
flat angles P-C4'-P energy: -116.659
tors. eta vs tors. theta energy: -235.348
Dist. restrs. and SS energy: 1.796 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -2692.361160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.361160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.685596 (E_RNA)
where:
Base-Base interactions energy: -1906.277
where: short stacking energy: -827.427
Base-Backbone interact. energy: -1.373
local terms energy: -787.035472
where:
bonds (distance) C4'-P energy: -140.882
bonds (distance) P-C4' energy: -126.499
flat angles C4'-P-C4' energy: -170.293
flat angles P-C4'-P energy: -110.506
tors. eta vs tors. theta energy: -238.855
Dist. restrs. and SS energy: 2.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -2579.081200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.081200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.152691 (E_RNA)
where:
Base-Base interactions energy: -1791.353
where: short stacking energy: -762.241
Base-Backbone interact. energy: -6.135
local terms energy: -785.665523
where:
bonds (distance) C4'-P energy: -127.333
bonds (distance) P-C4' energy: -145.214
flat angles C4'-P-C4' energy: -159.535
flat angles P-C4'-P energy: -119.221
tors. eta vs tors. theta energy: -234.362
Dist. restrs. and SS energy: 4.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -2480.469482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.469482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.444910 (E_RNA)
where:
Base-Base interactions energy: -1715.477
where: short stacking energy: -737.363
Base-Backbone interact. energy: -2.053
local terms energy: -770.914143
where:
bonds (distance) C4'-P energy: -135.829
bonds (distance) P-C4' energy: -138.753
flat angles C4'-P-C4' energy: -160.035
flat angles P-C4'-P energy: -117.730
tors. eta vs tors. theta energy: -218.568
Dist. restrs. and SS energy: 7.975 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -2407.927203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.927203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.535239 (E_RNA)
where:
Base-Base interactions energy: -1699.263
where: short stacking energy: -727.335
Base-Backbone interact. energy: 0.309
local terms energy: -718.581447
where:
bonds (distance) C4'-P energy: -118.427
bonds (distance) P-C4' energy: -127.286
flat angles C4'-P-C4' energy: -166.290
flat angles P-C4'-P energy: -99.148
tors. eta vs tors. theta energy: -207.430
Dist. restrs. and SS energy: 9.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -2322.880476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.880476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.061509 (E_RNA)
where:
Base-Base interactions energy: -1627.797
where: short stacking energy: -699.372
Base-Backbone interact. energy: -0.176
local terms energy: -710.087906
where:
bonds (distance) C4'-P energy: -120.686
bonds (distance) P-C4' energy: -146.552
flat angles C4'-P-C4' energy: -140.209
flat angles P-C4'-P energy: -93.870
tors. eta vs tors. theta energy: -208.772
Dist. restrs. and SS energy: 15.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -2223.050300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.050300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.567034 (E_RNA)
where:
Base-Base interactions energy: -1558.131
where: short stacking energy: -654.927
Base-Backbone interact. energy: -1.716
local terms energy: -678.719731
where:
bonds (distance) C4'-P energy: -125.875
bonds (distance) P-C4' energy: -134.833
flat angles C4'-P-C4' energy: -142.341
flat angles P-C4'-P energy: -88.408
tors. eta vs tors. theta energy: -187.263
Dist. restrs. and SS energy: 15.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -2110.226697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.226697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.461283 (E_RNA)
where:
Base-Base interactions energy: -1480.408
where: short stacking energy: -608.925
Base-Backbone interact. energy: 2.421
local terms energy: -641.473559
where:
bonds (distance) C4'-P energy: -123.930
bonds (distance) P-C4' energy: -108.601
flat angles C4'-P-C4' energy: -140.559
flat angles P-C4'-P energy: -95.719
tors. eta vs tors. theta energy: -172.664
Dist. restrs. and SS energy: 9.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -2058.586894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.586894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.596796 (E_RNA)
where:
Base-Base interactions energy: -1421.308
where: short stacking energy: -601.329
Base-Backbone interact. energy: 0.284
local terms energy: -648.573138
where:
bonds (distance) C4'-P energy: -128.160
bonds (distance) P-C4' energy: -113.069
flat angles C4'-P-C4' energy: -128.508
flat angles P-C4'-P energy: -95.350
tors. eta vs tors. theta energy: -183.487
Dist. restrs. and SS energy: 11.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -1937.864287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.864287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.164151 (E_RNA)
where:
Base-Base interactions energy: -1350.804
where: short stacking energy: -548.627
Base-Backbone interact. energy: -0.789
local terms energy: -602.570678
where:
bonds (distance) C4'-P energy: -118.031
bonds (distance) P-C4' energy: -121.640
flat angles C4'-P-C4' energy: -123.595
flat angles P-C4'-P energy: -90.592
tors. eta vs tors. theta energy: -148.713
Dist. restrs. and SS energy: 16.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -2736.393133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.393133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.550134 (E_RNA)
where:
Base-Base interactions energy: -1925.030
where: short stacking energy: -792.634
Base-Backbone interact. energy: -1.300
local terms energy: -813.220818
where:
bonds (distance) C4'-P energy: -153.035
bonds (distance) P-C4' energy: -137.125
flat angles C4'-P-C4' energy: -173.851
flat angles P-C4'-P energy: -112.378
tors. eta vs tors. theta energy: -236.831
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: 2
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -2657.541217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.541217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.445388 (E_RNA)
where:
Base-Base interactions energy: -1859.857
where: short stacking energy: -817.912
Base-Backbone interact. energy: 0.582
local terms energy: -802.169722
where:
bonds (distance) C4'-P energy: -135.947
bonds (distance) P-C4' energy: -155.468
flat angles C4'-P-C4' energy: -160.542
flat angles P-C4'-P energy: -108.165
tors. eta vs tors. theta energy: -242.048
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: 3, replica: 10
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -2588.143705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.143705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.331211 (E_RNA)
where:
Base-Base interactions energy: -1841.809
where: short stacking energy: -792.529
Base-Backbone interact. energy: -5.790
local terms energy: -746.731729
where:
bonds (distance) C4'-P energy: -115.746
bonds (distance) P-C4' energy: -139.781
flat angles C4'-P-C4' energy: -155.606
flat angles P-C4'-P energy: -98.268
tors. eta vs tors. theta energy: -237.331
Dist. restrs. and SS energy: 6.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -2485.904291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.904291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.714722 (E_RNA)
where:
Base-Base interactions energy: -1758.506
where: short stacking energy: -719.498
Base-Backbone interact. energy: -0.092
local terms energy: -734.116838
where:
bonds (distance) C4'-P energy: -136.890
bonds (distance) P-C4' energy: -135.364
flat angles C4'-P-C4' energy: -137.921
flat angles P-C4'-P energy: -109.992
tors. eta vs tors. theta energy: -213.949
Dist. restrs. and SS energy: 6.810 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -2400.089649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.089649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.347726 (E_RNA)
where:
Base-Base interactions energy: -1710.192
where: short stacking energy: -720.298
Base-Backbone interact. energy: -1.814
local terms energy: -695.341875
where:
bonds (distance) C4'-P energy: -112.361
bonds (distance) P-C4' energy: -109.139
flat angles C4'-P-C4' energy: -162.120
flat angles P-C4'-P energy: -104.744
tors. eta vs tors. theta energy: -206.979
Dist. restrs. and SS energy: 7.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -2287.596659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.596659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.771608 (E_RNA)
where:
Base-Base interactions energy: -1572.187
where: short stacking energy: -669.379
Base-Backbone interact. energy: -1.941
local terms energy: -730.643638
where:
bonds (distance) C4'-P energy: -128.912
bonds (distance) P-C4' energy: -133.508
flat angles C4'-P-C4' energy: -142.866
flat angles P-C4'-P energy: -111.343
tors. eta vs tors. theta energy: -214.015
Dist. restrs. and SS energy: 17.175 (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: 7
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -2204.995622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.995622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.112791 (E_RNA)
where:
Base-Base interactions energy: -1563.821
where: short stacking energy: -660.625
Base-Backbone interact. energy: 1.760
local terms energy: -663.051654
where:
bonds (distance) C4'-P energy: -121.264
bonds (distance) P-C4' energy: -109.907
flat angles C4'-P-C4' energy: -144.056
flat angles P-C4'-P energy: -89.077
tors. eta vs tors. theta energy: -198.747
Dist. restrs. and SS energy: 20.117 (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: 153
Temperature: 1.250000
Total energy: -2104.506133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.506133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.203877 (E_RNA)
where:
Base-Base interactions energy: -1473.506
where: short stacking energy: -591.308
Base-Backbone interact. energy: -1.041
local terms energy: -636.656217
where:
bonds (distance) C4'-P energy: -130.313
bonds (distance) P-C4' energy: -122.365
flat angles C4'-P-C4' energy: -127.061
flat angles P-C4'-P energy: -85.680
tors. eta vs tors. theta energy: -171.236
Dist. restrs. and SS energy: 6.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -2028.962756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.962756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.634942 (E_RNA)
where:
Base-Base interactions energy: -1438.959
where: short stacking energy: -607.510
Base-Backbone interact. energy: 2.142
local terms energy: -619.818143
where:
bonds (distance) C4'-P energy: -124.671
bonds (distance) P-C4' energy: -123.004
flat angles C4'-P-C4' energy: -120.386
flat angles P-C4'-P energy: -80.179
tors. eta vs tors. theta energy: -171.578
Dist. restrs. and SS energy: 27.672 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -1904.638406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.638406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.212355 (E_RNA)
where:
Base-Base interactions energy: -1356.136
where: short stacking energy: -545.649
Base-Backbone interact. energy: -0.365
local terms energy: -570.711682
where:
bonds (distance) C4'-P energy: -93.393
bonds (distance) P-C4' energy: -117.642
flat angles C4'-P-C4' energy: -134.513
flat angles P-C4'-P energy: -73.682
tors. eta vs tors. theta energy: -151.482
Dist. restrs. and SS energy: 22.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -2767.890585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.890585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2771.671920 (E_RNA)
where:
Base-Base interactions energy: -1940.254
where: short stacking energy: -852.439
Base-Backbone interact. energy: -4.750
local terms energy: -826.668223
where:
bonds (distance) C4'-P energy: -139.681
bonds (distance) P-C4' energy: -142.299
flat angles C4'-P-C4' energy: -176.119
flat angles P-C4'-P energy: -121.105
tors. eta vs tors. theta energy: -247.463
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: 2, replica: 2
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -2653.340663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.340663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.435992 (E_RNA)
where:
Base-Base interactions energy: -1858.105
where: short stacking energy: -790.038
Base-Backbone interact. energy: -2.274
local terms energy: -798.056630
where:
bonds (distance) C4'-P energy: -143.143
bonds (distance) P-C4' energy: -144.104
flat angles C4'-P-C4' energy: -177.468
flat angles P-C4'-P energy: -100.863
tors. eta vs tors. theta energy: -232.478
Dist. restrs. and SS energy: 5.095 (S_DIST_RNA)
chem. 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: -2592.164893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.164893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.990299 (E_RNA)
where:
Base-Base interactions energy: -1834.524
where: short stacking energy: -785.512
Base-Backbone interact. energy: -0.786
local terms energy: -761.679682
where:
bonds (distance) C4'-P energy: -118.391
bonds (distance) P-C4' energy: -137.699
flat angles C4'-P-C4' energy: -161.331
flat angles P-C4'-P energy: -115.102
tors. eta vs tors. theta energy: -229.156
Dist. restrs. and SS energy: 4.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -2522.376714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.376714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.946186 (E_RNA)
where:
Base-Base interactions energy: -1752.837
where: short stacking energy: -708.959
Base-Backbone interact. energy: -1.483
local terms energy: -773.626060
where:
bonds (distance) C4'-P energy: -127.616
bonds (distance) P-C4' energy: -155.055
flat angles C4'-P-C4' energy: -163.116
flat angles P-C4'-P energy: -111.550
tors. eta vs tors. theta energy: -216.289
Dist. restrs. and SS energy: 5.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -2449.336981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.336981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.205706 (E_RNA)
where:
Base-Base interactions energy: -1715.382
where: short stacking energy: -715.594
Base-Backbone interact. energy: -3.122
local terms energy: -745.701404
where:
bonds (distance) C4'-P energy: -133.417
bonds (distance) P-C4' energy: -129.800
flat angles C4'-P-C4' energy: -154.500
flat angles P-C4'-P energy: -109.394
tors. eta vs tors. theta energy: -218.591
Dist. restrs. and SS energy: 14.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -2326.551249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.551249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.378166 (E_RNA)
where:
Base-Base interactions energy: -1616.554
where: short stacking energy: -669.053
Base-Backbone interact. energy: -2.058
local terms energy: -722.766782
where:
bonds (distance) C4'-P energy: -138.688
bonds (distance) P-C4' energy: -131.929
flat angles C4'-P-C4' energy: -154.127
flat angles P-C4'-P energy: -101.563
tors. eta vs tors. theta energy: -196.459
Dist. restrs. and SS energy: 14.827 (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: 154
Temperature: 1.200000
Total energy: -2214.769276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.769276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.418967 (E_RNA)
where:
Base-Base interactions energy: -1561.069
where: short stacking energy: -651.637
Base-Backbone interact. energy: -1.527
local terms energy: -674.823171
where:
bonds (distance) C4'-P energy: -112.178
bonds (distance) P-C4' energy: -117.907
flat angles C4'-P-C4' energy: -146.637
flat angles P-C4'-P energy: -94.825
tors. eta vs tors. theta energy: -203.278
Dist. restrs. and SS energy: 22.650 (S_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: 154
Temperature: 1.250000
Total energy: -2146.245129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.245129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.397001 (E_RNA)
where:
Base-Base interactions energy: -1532.600
where: short stacking energy: -615.871
Base-Backbone interact. energy: 1.177
local terms energy: -629.974025
where:
bonds (distance) C4'-P energy: -107.977
bonds (distance) P-C4' energy: -128.217
flat angles C4'-P-C4' energy: -138.295
flat angles P-C4'-P energy: -82.328
tors. eta vs tors. theta energy: -173.158
Dist. restrs. and SS energy: 15.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -2059.263398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.263398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.694369 (E_RNA)
where:
Base-Base interactions energy: -1432.257
where: short stacking energy: -579.948
Base-Backbone interact. energy: 2.114
local terms energy: -645.552237
where:
bonds (distance) C4'-P energy: -107.768
bonds (distance) P-C4' energy: -126.358
flat angles C4'-P-C4' energy: -139.635
flat angles P-C4'-P energy: -84.900
tors. eta vs tors. theta energy: -186.891
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: 10, replica: 4
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -1874.489534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.489534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.057381 (E_RNA)
where:
Base-Base interactions energy: -1335.828
where: short stacking energy: -558.617
Base-Backbone interact. energy: -1.884
local terms energy: -551.345413
where:
bonds (distance) C4'-P energy: -101.444
bonds (distance) P-C4' energy: -99.725
flat angles C4'-P-C4' energy: -128.041
flat angles P-C4'-P energy: -66.060
tors. eta vs tors. theta energy: -156.075
Dist. restrs. and SS energy: 14.568 (S_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: -2716.775774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.775774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.824942 (E_RNA)
where:
Base-Base interactions energy: -1912.751
where: short stacking energy: -825.078
Base-Backbone interact. energy: -2.252
local terms energy: -805.821445
where:
bonds (distance) C4'-P energy: -137.309
bonds (distance) P-C4' energy: -138.792
flat angles C4'-P-C4' energy: -173.180
flat angles P-C4'-P energy: -111.866
tors. eta vs tors. theta energy: -244.674
Dist. restrs. and SS energy: 4.049 (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: 2
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -2669.691163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.691163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.428137 (E_RNA)
where:
Base-Base interactions energy: -1887.545
where: short stacking energy: -798.518
Base-Backbone interact. energy: -1.537
local terms energy: -784.346661
where:
bonds (distance) C4'-P energy: -139.195
bonds (distance) P-C4' energy: -129.880
flat angles C4'-P-C4' energy: -164.695
flat angles P-C4'-P energy: -112.732
tors. eta vs tors. theta energy: -237.845
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: 3, replica: 10
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -2556.507962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.507962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.037756 (E_RNA)
where:
Base-Base interactions energy: -1799.361
where: short stacking energy: -778.756
Base-Backbone interact. energy: -4.519
local terms energy: -756.157101
where:
bonds (distance) C4'-P energy: -125.014
bonds (distance) P-C4' energy: -142.991
flat angles C4'-P-C4' energy: -158.456
flat angles P-C4'-P energy: -105.874
tors. eta vs tors. theta energy: -223.822
Dist. restrs. and SS energy: 3.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -2523.611352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.611352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.317339 (E_RNA)
where:
Base-Base interactions energy: -1765.730
where: short stacking energy: -745.253
Base-Backbone interact. energy: -2.429
local terms energy: -768.158706
where:
bonds (distance) C4'-P energy: -143.990
bonds (distance) P-C4' energy: -134.993
flat angles C4'-P-C4' energy: -158.269
flat angles P-C4'-P energy: -101.940
tors. eta vs tors. theta energy: -228.966
Dist. restrs. and SS energy: 12.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -2432.053015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.053015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.915536 (E_RNA)
where:
Base-Base interactions energy: -1724.909
where: short stacking energy: -717.253
Base-Backbone interact. energy: -2.671
local terms energy: -715.335982
where:
bonds (distance) C4'-P energy: -132.859
bonds (distance) P-C4' energy: -120.750
flat angles C4'-P-C4' energy: -159.264
flat angles P-C4'-P energy: -92.876
tors. eta vs tors. theta energy: -209.587
Dist. restrs. and SS energy: 10.863 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -2321.601387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.601387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.718815 (E_RNA)
where:
Base-Base interactions energy: -1665.090
where: short stacking energy: -711.764
Base-Backbone interact. energy: -1.302
local terms energy: -667.327556
where:
bonds (distance) C4'-P energy: -96.111
bonds (distance) P-C4' energy: -115.097
flat angles C4'-P-C4' energy: -157.529
flat angles P-C4'-P energy: -100.076
tors. eta vs tors. theta energy: -198.514
Dist. restrs. and SS energy: 12.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -2190.582184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.582184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.018451 (E_RNA)
where:
Base-Base interactions energy: -1525.572
where: short stacking energy: -636.574
Base-Backbone interact. energy: 2.723
local terms energy: -684.169409
where:
bonds (distance) C4'-P energy: -131.311
bonds (distance) P-C4' energy: -124.647
flat angles C4'-P-C4' energy: -149.852
flat angles P-C4'-P energy: -83.230
tors. eta vs tors. theta energy: -195.130
Dist. restrs. and SS energy: 16.436 (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: 5
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -2151.641772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.641772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.120493 (E_RNA)
where:
Base-Base interactions energy: -1532.558
where: short stacking energy: -611.529
Base-Backbone interact. energy: 1.424
local terms energy: -633.986375
where:
bonds (distance) C4'-P energy: -114.511
bonds (distance) P-C4' energy: -137.722
flat angles C4'-P-C4' energy: -130.394
flat angles P-C4'-P energy: -69.661
tors. eta vs tors. theta energy: -181.699
Dist. restrs. and SS energy: 13.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -2115.263127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.263127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.770358 (E_RNA)
where:
Base-Base interactions energy: -1489.216
where: short stacking energy: -611.087
Base-Backbone interact. energy: 3.619
local terms energy: -642.173361
where:
bonds (distance) C4'-P energy: -128.927
bonds (distance) P-C4' energy: -113.310
flat angles C4'-P-C4' energy: -138.529
flat angles P-C4'-P energy: -79.239
tors. eta vs tors. theta energy: -182.169
Dist. restrs. and SS energy: 12.507 (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: 155
Temperature: 1.350000
Total energy: -2006.766932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.766932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.868741 (E_RNA)
where:
Base-Base interactions energy: -1410.344
where: short stacking energy: -579.421
Base-Backbone interact. energy: -1.632
local terms energy: -605.892865
where:
bonds (distance) C4'-P energy: -117.830
bonds (distance) P-C4' energy: -115.347
flat angles C4'-P-C4' energy: -135.623
flat angles P-C4'-P energy: -68.062
tors. eta vs tors. theta energy: -169.031
Dist. restrs. and SS energy: 11.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -2709.211534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.211534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.229107 (E_RNA)
where:
Base-Base interactions energy: -1911.604
where: short stacking energy: -819.448
Base-Backbone interact. energy: -3.099
local terms energy: -797.525992
where:
bonds (distance) C4'-P energy: -134.391
bonds (distance) P-C4' energy: -142.474
flat angles C4'-P-C4' energy: -164.046
flat angles P-C4'-P energy: -115.055
tors. eta vs tors. theta energy: -241.560
Dist. restrs. and SS energy: 3.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -2669.807533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.807533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.638842 (E_RNA)
where:
Base-Base interactions energy: -1866.800
where: short stacking energy: -809.707
Base-Backbone interact. energy: -2.475
local terms energy: -805.363917
where:
bonds (distance) C4'-P energy: -135.427
bonds (distance) P-C4' energy: -142.799
flat angles C4'-P-C4' energy: -170.017
flat angles P-C4'-P energy: -111.277
tors. eta vs tors. theta energy: -245.844
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: 3, replica: 10
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -2592.098347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.098347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.100339 (E_RNA)
where:
Base-Base interactions energy: -1812.838
where: short stacking energy: -775.520
Base-Backbone interact. energy: 9.377
local terms energy: -792.640092
where:
bonds (distance) C4'-P energy: -144.851
bonds (distance) P-C4' energy: -147.878
flat angles C4'-P-C4' energy: -164.868
flat angles P-C4'-P energy: -109.670
tors. eta vs tors. theta energy: -225.372
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: 3
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -2514.219010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.219010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.120385 (E_RNA)
where:
Base-Base interactions energy: -1779.147
where: short stacking energy: -756.931
Base-Backbone interact. energy: -3.295
local terms energy: -741.678503
where:
bonds (distance) C4'-P energy: -136.395
bonds (distance) P-C4' energy: -126.178
flat angles C4'-P-C4' energy: -148.648
flat angles P-C4'-P energy: -99.935
tors. eta vs tors. theta energy: -230.523
Dist. restrs. and SS energy: 9.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -2408.946868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.946868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.702806 (E_RNA)
where:
Base-Base interactions energy: -1674.995
where: short stacking energy: -714.225
Base-Backbone interact. energy: -4.513
local terms energy: -741.194456
where:
bonds (distance) C4'-P energy: -130.908
bonds (distance) P-C4' energy: -129.097
flat angles C4'-P-C4' energy: -166.082
flat angles P-C4'-P energy: -107.782
tors. eta vs tors. theta energy: -207.324
Dist. restrs. and SS energy: 11.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -2289.286092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.286092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.897777 (E_RNA)
where:
Base-Base interactions energy: -1633.018
where: short stacking energy: -667.943
Base-Backbone interact. energy: -3.430
local terms energy: -663.449876
where:
bonds (distance) C4'-P energy: -94.472
bonds (distance) P-C4' energy: -119.759
flat angles C4'-P-C4' energy: -151.913
flat angles P-C4'-P energy: -85.285
tors. eta vs tors. theta energy: -212.021
Dist. restrs. and SS energy: 10.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -2220.262768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.262768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.499564 (E_RNA)
where:
Base-Base interactions energy: -1573.735
where: short stacking energy: -679.354
Base-Backbone interact. energy: 2.774
local terms energy: -661.538847
where:
bonds (distance) C4'-P energy: -122.189
bonds (distance) P-C4' energy: -104.724
flat angles C4'-P-C4' energy: -142.783
flat angles P-C4'-P energy: -89.953
tors. eta vs tors. theta energy: -201.889
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: 8, replica: 5
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -2154.685362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.685362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.989985 (E_RNA)
where:
Base-Base interactions energy: -1510.056
where: short stacking energy: -623.833
Base-Backbone interact. energy: 3.358
local terms energy: -655.292253
where:
bonds (distance) C4'-P energy: -126.383
bonds (distance) P-C4' energy: -115.523
flat angles C4'-P-C4' energy: -148.734
flat angles P-C4'-P energy: -76.199
tors. eta vs tors. theta energy: -188.454
Dist. restrs. and SS energy: 7.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -2118.977714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.977714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.916674 (E_RNA)
where:
Base-Base interactions energy: -1470.991
where: short stacking energy: -625.045
Base-Backbone interact. energy: -5.254
local terms energy: -654.671855
where:
bonds (distance) C4'-P energy: -127.442
bonds (distance) P-C4' energy: -134.986
flat angles C4'-P-C4' energy: -137.777
flat angles P-C4'-P energy: -80.125
tors. eta vs tors. theta energy: -174.341
Dist. restrs. and SS energy: 11.939 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -1989.614387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.614387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.912077 (E_RNA)
where:
Base-Base interactions energy: -1421.678
where: short stacking energy: -579.605
Base-Backbone interact. energy: -3.258
local terms energy: -578.976122
where:
bonds (distance) C4'-P energy: -100.181
bonds (distance) P-C4' energy: -102.691
flat angles C4'-P-C4' energy: -126.997
flat angles P-C4'-P energy: -80.965
tors. eta vs tors. theta energy: -168.143
Dist. restrs. and SS energy: 14.298 (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: 8
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -2744.627804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2744.627804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.055076 (E_RNA)
where:
Base-Base interactions energy: -1916.723
where: short stacking energy: -836.108
Base-Backbone interact. energy: -2.110
local terms energy: -829.222059
where:
bonds (distance) C4'-P energy: -134.040
bonds (distance) P-C4' energy: -143.602
flat angles C4'-P-C4' energy: -177.719
flat angles P-C4'-P energy: -120.371
tors. eta vs tors. theta energy: -253.490
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: 2
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -2662.690694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.690694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.840735 (E_RNA)
where:
Base-Base interactions energy: -1880.175
where: short stacking energy: -801.609
Base-Backbone interact. energy: -3.091
local terms energy: -782.575027
where:
bonds (distance) C4'-P energy: -146.162
bonds (distance) P-C4' energy: -126.695
flat angles C4'-P-C4' energy: -163.943
flat angles P-C4'-P energy: -107.027
tors. eta vs tors. theta energy: -238.748
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: 157
Temperature: 1.000000
Total energy: -2619.729378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.729378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.170141 (E_RNA)
where:
Base-Base interactions energy: -1864.579
where: short stacking energy: -794.384
Base-Backbone interact. energy: -1.412
local terms energy: -759.179382
where:
bonds (distance) C4'-P energy: -122.349
bonds (distance) P-C4' energy: -128.056
flat angles C4'-P-C4' energy: -169.534
flat angles P-C4'-P energy: -105.926
tors. eta vs tors. theta energy: -233.315
Dist. restrs. and SS energy: 5.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -2512.056221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.056221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.233136 (E_RNA)
where:
Base-Base interactions energy: -1783.736
where: short stacking energy: -728.223
Base-Backbone interact. energy: 2.284
local terms energy: -735.781433
where:
bonds (distance) C4'-P energy: -122.930
bonds (distance) P-C4' energy: -126.759
flat angles C4'-P-C4' energy: -153.197
flat angles P-C4'-P energy: -110.896
tors. eta vs tors. theta energy: -221.998
Dist. restrs. and SS energy: 5.177 (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: 1
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -2476.494898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.494898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.722705 (E_RNA)
where:
Base-Base interactions energy: -1720.081
where: short stacking energy: -732.221
Base-Backbone interact. energy: 0.438
local terms energy: -763.079672
where:
bonds (distance) C4'-P energy: -137.347
bonds (distance) P-C4' energy: -125.559
flat angles C4'-P-C4' energy: -161.255
flat angles P-C4'-P energy: -111.738
tors. eta vs tors. theta energy: -227.180
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: 6, replica: 9
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -2295.936664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.936664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.739325 (E_RNA)
where:
Base-Base interactions energy: -1634.399
where: short stacking energy: -683.839
Base-Backbone interact. energy: -1.883
local terms energy: -675.458024
where:
bonds (distance) C4'-P energy: -116.311
bonds (distance) P-C4' energy: -125.109
flat angles C4'-P-C4' energy: -140.310
flat angles P-C4'-P energy: -88.988
tors. eta vs tors. theta energy: -204.740
Dist. restrs. and SS energy: 15.803 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -2213.455573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.455573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.533322 (E_RNA)
where:
Base-Base interactions energy: -1549.641
where: short stacking energy: -672.557
Base-Backbone interact. energy: -1.591
local terms energy: -683.301581
where:
bonds (distance) C4'-P energy: -123.929
bonds (distance) P-C4' energy: -139.820
flat angles C4'-P-C4' energy: -149.753
flat angles P-C4'-P energy: -82.966
tors. eta vs tors. theta energy: -186.833
Dist. restrs. and SS energy: 21.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -2170.871349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.871349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.295389 (E_RNA)
where:
Base-Base interactions energy: -1532.972
where: short stacking energy: -637.537
Base-Backbone interact. energy: 7.630
local terms energy: -654.953339
where:
bonds (distance) C4'-P energy: -120.144
bonds (distance) P-C4' energy: -116.185
flat angles C4'-P-C4' energy: -143.215
flat angles P-C4'-P energy: -84.230
tors. eta vs tors. theta energy: -191.180
Dist. restrs. and SS energy: 9.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -2051.820944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.820944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.289919 (E_RNA)
where:
Base-Base interactions energy: -1483.803
where: short stacking energy: -596.470
Base-Backbone interact. energy: -0.426
local terms energy: -584.061519
where:
bonds (distance) C4'-P energy: -103.675
bonds (distance) P-C4' energy: -115.026
flat angles C4'-P-C4' energy: -138.426
flat angles P-C4'-P energy: -66.411
tors. eta vs tors. theta energy: -160.524
Dist. restrs. and SS energy: 16.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -1962.000152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.000152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.871835 (E_RNA)
where:
Base-Base interactions energy: -1414.035
where: short stacking energy: -569.154
Base-Backbone interact. energy: -0.468
local terms energy: -562.368705
where:
bonds (distance) C4'-P energy: -94.589
bonds (distance) P-C4' energy: -109.003
flat angles C4'-P-C4' energy: -134.679
flat angles P-C4'-P energy: -68.139
tors. eta vs tors. theta energy: -155.959
Dist. restrs. and SS energy: 14.872 (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: 158
Temperature: 0.900000
Total energy: -2689.210820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.210820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.247649 (E_RNA)
where:
Base-Base interactions energy: -1890.934
where: short stacking energy: -801.428
Base-Backbone interact. energy: -2.931
local terms energy: -800.382154
where:
bonds (distance) C4'-P energy: -130.844
bonds (distance) P-C4' energy: -155.968
flat angles C4'-P-C4' energy: -179.702
flat angles P-C4'-P energy: -110.503
tors. eta vs tors. theta energy: -223.366
Dist. restrs. and SS energy: 5.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -2691.016215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.016215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.478231 (E_RNA)
where:
Base-Base interactions energy: -1885.839
where: short stacking energy: -794.312
Base-Backbone interact. energy: -3.516
local terms energy: -804.123333
where:
bonds (distance) C4'-P energy: -133.391
bonds (distance) P-C4' energy: -144.973
flat angles C4'-P-C4' energy: -166.877
flat angles P-C4'-P energy: -121.051
tors. eta vs tors. theta energy: -237.831
Dist. restrs. and SS energy: 2.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -2625.577424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.577424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.273262 (E_RNA)
where:
Base-Base interactions energy: -1842.324
where: short stacking energy: -775.221
Base-Backbone interact. energy: 2.662
local terms energy: -788.611635
where:
bonds (distance) C4'-P energy: -132.696
bonds (distance) P-C4' energy: -155.666
flat angles C4'-P-C4' energy: -159.157
flat angles P-C4'-P energy: -109.913
tors. eta vs tors. theta energy: -231.180
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: 3
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -2540.153388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.153388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.601299 (E_RNA)
where:
Base-Base interactions energy: -1783.951
where: short stacking energy: -755.832
Base-Backbone interact. energy: -3.274
local terms energy: -760.376406
where:
bonds (distance) C4'-P energy: -140.085
bonds (distance) P-C4' energy: -131.220
flat angles C4'-P-C4' energy: -157.688
flat angles P-C4'-P energy: -103.391
tors. eta vs tors. theta energy: -227.993
Dist. restrs. and SS energy: 7.448 (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: 1
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -2454.583022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.583022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.588247 (E_RNA)
where:
Base-Base interactions energy: -1714.303
where: short stacking energy: -724.781
Base-Backbone interact. energy: 0.953
local terms energy: -748.238420
where:
bonds (distance) C4'-P energy: -140.545
bonds (distance) P-C4' energy: -115.457
flat angles C4'-P-C4' energy: -159.034
flat angles P-C4'-P energy: -105.933
tors. eta vs tors. theta energy: -227.270
Dist. restrs. and SS energy: 7.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -2293.765246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.765246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.350691 (E_RNA)
where:
Base-Base interactions energy: -1602.369
where: short stacking energy: -682.591
Base-Backbone interact. energy: 0.506
local terms energy: -703.487711
where:
bonds (distance) C4'-P energy: -137.540
bonds (distance) P-C4' energy: -121.835
flat angles C4'-P-C4' energy: -153.741
flat angles P-C4'-P energy: -89.077
tors. eta vs tors. theta energy: -201.295
Dist. restrs. and SS energy: 11.585 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -2222.519487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.519487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.182116 (E_RNA)
where:
Base-Base interactions energy: -1578.717
where: short stacking energy: -667.513
Base-Backbone interact. energy: -3.777
local terms energy: -650.687389
where:
bonds (distance) C4'-P energy: -110.530
bonds (distance) P-C4' energy: -115.352
flat angles C4'-P-C4' energy: -136.068
flat angles P-C4'-P energy: -91.180
tors. eta vs tors. theta energy: -197.558
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: 8, replica: 7
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -2113.985175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.985175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.387753 (E_RNA)
where:
Base-Base interactions energy: -1466.785
where: short stacking energy: -614.635
Base-Backbone interact. energy: -0.104
local terms energy: -665.499071
where:
bonds (distance) C4'-P energy: -130.374
bonds (distance) P-C4' energy: -137.160
flat angles C4'-P-C4' energy: -132.481
flat angles P-C4'-P energy: -87.454
tors. eta vs tors. theta energy: -178.031
Dist. restrs. and SS energy: 18.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -2075.892297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.892297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.170871 (E_RNA)
where:
Base-Base interactions energy: -1456.712
where: short stacking energy: -584.295
Base-Backbone interact. energy: -1.198
local terms energy: -630.260558
where:
bonds (distance) C4'-P energy: -120.769
bonds (distance) P-C4' energy: -117.387
flat angles C4'-P-C4' energy: -147.084
flat angles P-C4'-P energy: -79.177
tors. eta vs tors. theta energy: -165.843
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: 4
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -2008.458185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.458185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.331562 (E_RNA)
where:
Base-Base interactions energy: -1410.141
where: short stacking energy: -567.991
Base-Backbone interact. energy: -1.560
local terms energy: -614.630542
where:
bonds (distance) C4'-P energy: -118.940
bonds (distance) P-C4' energy: -113.093
flat angles C4'-P-C4' energy: -152.268
flat angles P-C4'-P energy: -62.162
tors. eta vs tors. theta energy: -168.168
Dist. restrs. and SS energy: 17.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -2711.064303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.064303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.745501 (E_RNA)
where:
Base-Base interactions energy: -1894.497
where: short stacking energy: -799.104
Base-Backbone interact. energy: -2.575
local terms energy: -817.673807
where:
bonds (distance) C4'-P energy: -129.721
bonds (distance) P-C4' energy: -154.223
flat angles C4'-P-C4' energy: -173.844
flat angles P-C4'-P energy: -120.931
tors. eta vs tors. theta energy: -238.955
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: 159
Temperature: 0.950000
Total energy: -2679.366687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.366687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.809343 (E_RNA)
where:
Base-Base interactions energy: -1883.175
where: short stacking energy: -812.349
Base-Backbone interact. energy: -6.486
local terms energy: -792.148922
where:
bonds (distance) C4'-P energy: -142.184
bonds (distance) P-C4' energy: -131.498
flat angles C4'-P-C4' energy: -167.235
flat angles P-C4'-P energy: -116.938
tors. eta vs tors. theta energy: -234.294
Dist. restrs. and SS energy: 2.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -2604.651419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.651419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.035807 (E_RNA)
where:
Base-Base interactions energy: -1824.970
where: short stacking energy: -777.005
Base-Backbone interact. energy: -0.561
local terms energy: -782.505748
where:
bonds (distance) C4'-P energy: -127.993
bonds (distance) P-C4' energy: -143.918
flat angles C4'-P-C4' energy: -168.842
flat angles P-C4'-P energy: -115.989
tors. eta vs tors. theta energy: -225.764
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: 4, replica: 3
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -2535.892441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.892441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.745559 (E_RNA)
where:
Base-Base interactions energy: -1797.048
where: short stacking energy: -758.982
Base-Backbone interact. energy: -1.826
local terms energy: -743.871997
where:
bonds (distance) C4'-P energy: -127.006
bonds (distance) P-C4' energy: -133.085
flat angles C4'-P-C4' energy: -150.671
flat angles P-C4'-P energy: -99.482
tors. eta vs tors. theta energy: -233.628
Dist. restrs. and SS energy: 6.853 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -2417.504207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.504207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.894947 (E_RNA)
where:
Base-Base interactions energy: -1701.286
where: short stacking energy: -726.611
Base-Backbone interact. energy: 2.424
local terms energy: -725.033139
where:
bonds (distance) C4'-P energy: -124.830
bonds (distance) P-C4' energy: -129.828
flat angles C4'-P-C4' energy: -149.735
flat angles P-C4'-P energy: -98.448
tors. eta vs tors. theta energy: -222.193
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: 9
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -2277.251509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.251509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.230382 (E_RNA)
where:
Base-Base interactions energy: -1580.693
where: short stacking energy: -675.398
Base-Backbone interact. energy: -2.675
local terms energy: -706.862014
where:
bonds (distance) C4'-P energy: -119.120
bonds (distance) P-C4' energy: -128.223
flat angles C4'-P-C4' energy: -158.945
flat angles P-C4'-P energy: -95.577
tors. eta vs tors. theta energy: -204.997
Dist. restrs. and SS energy: 12.979 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -2208.443263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.443263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.055072 (E_RNA)
where:
Base-Base interactions energy: -1546.162
where: short stacking energy: -660.544
Base-Backbone interact. energy: 4.650
local terms energy: -677.542489
where:
bonds (distance) C4'-P energy: -112.548
bonds (distance) P-C4' energy: -123.946
flat angles C4'-P-C4' energy: -155.052
flat angles P-C4'-P energy: -87.812
tors. eta vs tors. theta energy: -198.185
Dist. restrs. and SS energy: 10.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -2132.888543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.888543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.569854 (E_RNA)
where:
Base-Base interactions energy: -1501.967
where: short stacking energy: -611.205
Base-Backbone interact. energy: -2.254
local terms energy: -646.348701
where:
bonds (distance) C4'-P energy: -103.807
bonds (distance) P-C4' energy: -122.722
flat angles C4'-P-C4' energy: -143.932
flat angles P-C4'-P energy: -82.945
tors. eta vs tors. theta energy: -192.943
Dist. restrs. and SS energy: 17.681 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -2014.768870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.768870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.693936 (E_RNA)
where:
Base-Base interactions energy: -1420.245
where: short stacking energy: -584.354
Base-Backbone interact. energy: -4.786
local terms energy: -609.662911
where:
bonds (distance) C4'-P energy: -96.762
bonds (distance) P-C4' energy: -130.295
flat angles C4'-P-C4' energy: -136.811
flat angles P-C4'-P energy: -90.082
tors. eta vs tors. theta energy: -155.713
Dist. restrs. and SS energy: 19.925 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -1944.984885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.984885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.811682 (E_RNA)
where:
Base-Base interactions energy: -1352.656
where: short stacking energy: -570.919
Base-Backbone interact. energy: 3.539
local terms energy: -613.695367
where:
bonds (distance) C4'-P energy: -130.099
bonds (distance) P-C4' energy: -107.046
flat angles C4'-P-C4' energy: -124.824
flat angles P-C4'-P energy: -88.818
tors. eta vs tors. theta energy: -162.909
Dist. restrs. and SS energy: 17.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -2742.286830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.286830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.344020 (E_RNA)
where:
Base-Base interactions energy: -1912.027
where: short stacking energy: -824.545
Base-Backbone interact. energy: -4.803
local terms energy: -828.514515
where:
bonds (distance) C4'-P energy: -142.590
bonds (distance) P-C4' energy: -145.386
flat angles C4'-P-C4' energy: -172.144
flat angles P-C4'-P energy: -127.872
tors. eta vs tors. theta energy: -240.523
Dist. restrs. and SS energy: 3.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -2644.944502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.944502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.615550 (E_RNA)
where:
Base-Base interactions energy: -1866.298
where: short stacking energy: -784.647
Base-Backbone interact. energy: -1.667
local terms energy: -780.650679
where:
bonds (distance) C4'-P energy: -141.782
bonds (distance) P-C4' energy: -129.851
flat angles C4'-P-C4' energy: -164.490
flat angles P-C4'-P energy: -107.452
tors. eta vs tors. theta energy: -237.076
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: 3, replica: 10
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -2617.398866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.398866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.441965 (E_RNA)
where:
Base-Base interactions energy: -1824.661
where: short stacking energy: -775.366
Base-Backbone interact. energy: -2.018
local terms energy: -793.763730
where:
bonds (distance) C4'-P energy: -134.555
bonds (distance) P-C4' energy: -134.863
flat angles C4'-P-C4' energy: -170.106
flat angles P-C4'-P energy: -121.163
tors. eta vs tors. theta energy: -233.077
Dist. restrs. and SS energy: 3.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -2509.221421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.221421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.752703 (E_RNA)
where:
Base-Base interactions energy: -1778.516
where: short stacking energy: -752.263
Base-Backbone interact. energy: -1.983
local terms energy: -738.253550
where:
bonds (distance) C4'-P energy: -123.130
bonds (distance) P-C4' energy: -131.574
flat angles C4'-P-C4' energy: -160.029
flat angles P-C4'-P energy: -100.696
tors. eta vs tors. theta energy: -222.825
Dist. restrs. and SS energy: 9.531 (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: 1
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -2440.925687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.925687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.703596 (E_RNA)
where:
Base-Base interactions energy: -1722.092
where: short stacking energy: -737.550
Base-Backbone interact. energy: -2.377
local terms energy: -725.234639
where:
bonds (distance) C4'-P energy: -112.492
bonds (distance) P-C4' energy: -122.696
flat angles C4'-P-C4' energy: -164.034
flat angles P-C4'-P energy: -106.333
tors. eta vs tors. theta energy: -219.679
Dist. restrs. and SS energy: 8.778 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -2288.370730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.370730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.801551 (E_RNA)
where:
Base-Base interactions energy: -1594.834
where: short stacking energy: -716.096
Base-Backbone interact. energy: -3.086
local terms energy: -707.881913
where:
bonds (distance) C4'-P energy: -123.012
bonds (distance) P-C4' energy: -119.190
flat angles C4'-P-C4' energy: -156.476
flat angles P-C4'-P energy: -99.685
tors. eta vs tors. theta energy: -209.518
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: 7, replica: 5
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -2206.083714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.083714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.665627 (E_RNA)
where:
Base-Base interactions energy: -1572.907
where: short stacking energy: -636.535
Base-Backbone interact. energy: -3.295
local terms energy: -639.464067
where:
bonds (distance) C4'-P energy: -130.426
bonds (distance) P-C4' energy: -120.988
flat angles C4'-P-C4' energy: -117.851
flat angles P-C4'-P energy: -88.421
tors. eta vs tors. theta energy: -181.779
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: 8, replica: 7
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -2159.182967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.182967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.413012 (E_RNA)
where:
Base-Base interactions energy: -1530.058
where: short stacking energy: -656.314
Base-Backbone interact. energy: -2.385
local terms energy: -651.970261
where:
bonds (distance) C4'-P energy: -122.649
bonds (distance) P-C4' energy: -119.742
flat angles C4'-P-C4' energy: -135.164
flat angles P-C4'-P energy: -85.224
tors. eta vs tors. theta energy: -189.192
Dist. restrs. and SS energy: 25.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -1963.100403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.100403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.208104 (E_RNA)
where:
Base-Base interactions energy: -1395.585
where: short stacking energy: -567.832
Base-Backbone interact. energy: 4.707
local terms energy: -592.330103
where:
bonds (distance) C4'-P energy: -104.648
bonds (distance) P-C4' energy: -104.271
flat angles C4'-P-C4' energy: -135.053
flat angles P-C4'-P energy: -86.251
tors. eta vs tors. theta energy: -162.108
Dist. restrs. and SS energy: 20.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -1909.516270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.516270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.071261 (E_RNA)
where:
Base-Base interactions energy: -1340.934
where: short stacking energy: -554.359
Base-Backbone interact. energy: -2.042
local terms energy: -588.095485
where:
bonds (distance) C4'-P energy: -101.189
bonds (distance) P-C4' energy: -126.601
flat angles C4'-P-C4' energy: -129.199
flat angles P-C4'-P energy: -80.570
tors. eta vs tors. theta energy: -150.537
Dist. restrs. and SS energy: 21.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -2760.008510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2760.008510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.303965 (E_RNA)
where:
Base-Base interactions energy: -1894.734
where: short stacking energy: -825.394
Base-Backbone interact. energy: -1.716
local terms energy: -865.854222
where:
bonds (distance) C4'-P energy: -160.025
bonds (distance) P-C4' energy: -147.426
flat angles C4'-P-C4' energy: -177.932
flat angles P-C4'-P energy: -137.026
tors. eta vs tors. theta energy: -243.445
Dist. restrs. and SS energy: 2.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -2657.695565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.695565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.335298 (E_RNA)
where:
Base-Base interactions energy: -1872.106
where: short stacking energy: -803.254
Base-Backbone interact. energy: 1.734
local terms energy: -792.962486
where:
bonds (distance) C4'-P energy: -147.948
bonds (distance) P-C4' energy: -133.661
flat angles C4'-P-C4' energy: -178.028
flat angles P-C4'-P energy: -110.766
tors. eta vs tors. theta energy: -222.559
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: 10
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -2594.298767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.298767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.743749 (E_RNA)
where:
Base-Base interactions energy: -1808.182
where: short stacking energy: -762.658
Base-Backbone interact. energy: 1.004
local terms energy: -791.565720
where:
bonds (distance) C4'-P energy: -137.529
bonds (distance) P-C4' energy: -134.767
flat angles C4'-P-C4' energy: -170.145
flat angles P-C4'-P energy: -117.502
tors. eta vs tors. theta energy: -231.623
Dist. restrs. and SS energy: 4.445 (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: 1
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -2536.360586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.360586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.667748 (E_RNA)
where:
Base-Base interactions energy: -1785.277
where: short stacking energy: -749.153
Base-Backbone interact. energy: -2.890
local terms energy: -753.501226
where:
bonds (distance) C4'-P energy: -135.166
bonds (distance) P-C4' energy: -140.106
flat angles C4'-P-C4' energy: -157.414
flat angles P-C4'-P energy: -105.175
tors. eta vs tors. theta energy: -215.641
Dist. restrs. and SS energy: 5.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -2456.891839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.891839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.210605 (E_RNA)
where:
Base-Base interactions energy: -1736.646
where: short stacking energy: -730.811
Base-Backbone interact. energy: 2.882
local terms energy: -729.446801
where:
bonds (distance) C4'-P energy: -126.534
bonds (distance) P-C4' energy: -135.732
flat angles C4'-P-C4' energy: -161.789
flat angles P-C4'-P energy: -94.558
tors. eta vs tors. theta energy: -210.833
Dist. restrs. and SS energy: 6.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -2311.968270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.968270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.395954 (E_RNA)
where:
Base-Base interactions energy: -1597.697
where: short stacking energy: -694.185
Base-Backbone interact. energy: -1.794
local terms energy: -725.905672
where:
bonds (distance) C4'-P energy: -130.931
bonds (distance) P-C4' energy: -127.796
flat angles C4'-P-C4' energy: -146.187
flat angles P-C4'-P energy: -106.593
tors. eta vs tors. theta energy: -214.399
Dist. restrs. and SS energy: 13.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -2242.906893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.906893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.971915 (E_RNA)
where:
Base-Base interactions energy: -1585.676
where: short stacking energy: -677.442
Base-Backbone interact. energy: -2.942
local terms energy: -666.354021
where:
bonds (distance) C4'-P energy: -116.388
bonds (distance) P-C4' energy: -125.331
flat angles C4'-P-C4' energy: -146.116
flat angles P-C4'-P energy: -71.775
tors. eta vs tors. theta energy: -206.743
Dist. restrs. and SS energy: 12.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -2133.174872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.174872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.531482 (E_RNA)
where:
Base-Base interactions energy: -1476.622
where: short stacking energy: -608.975
Base-Backbone interact. energy: -3.244
local terms energy: -667.665214
where:
bonds (distance) C4'-P energy: -119.755
bonds (distance) P-C4' energy: -113.356
flat angles C4'-P-C4' energy: -151.932
flat angles P-C4'-P energy: -91.863
tors. eta vs tors. theta energy: -190.760
Dist. restrs. and SS energy: 14.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -2062.264176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.264176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.649206 (E_RNA)
where:
Base-Base interactions energy: -1448.049
where: short stacking energy: -601.180
Base-Backbone interact. energy: 1.133
local terms energy: -627.733484
where:
bonds (distance) C4'-P energy: -125.106
bonds (distance) P-C4' energy: -139.934
flat angles C4'-P-C4' energy: -119.097
flat angles P-C4'-P energy: -83.069
tors. eta vs tors. theta energy: -160.527
Dist. restrs. and SS energy: 12.385 (S_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: 161
Temperature: 1.350000
Total energy: -1993.272659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.272659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.328444 (E_RNA)
where:
Base-Base interactions energy: -1404.768
where: short stacking energy: -565.102
Base-Backbone interact. energy: 1.394
local terms energy: -611.955284
where:
bonds (distance) C4'-P energy: -114.928
bonds (distance) P-C4' energy: -106.025
flat angles C4'-P-C4' energy: -144.857
flat angles P-C4'-P energy: -88.421
tors. eta vs tors. theta energy: -157.725
Dist. restrs. and SS energy: 22.056 (S_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: -2724.941587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.941587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.283783 (E_RNA)
where:
Base-Base interactions energy: -1905.497
where: short stacking energy: -812.511
Base-Backbone interact. energy: -4.772
local terms energy: -818.014686
where:
bonds (distance) C4'-P energy: -139.347
bonds (distance) P-C4' energy: -141.967
flat angles C4'-P-C4' energy: -177.390
flat angles P-C4'-P energy: -108.540
tors. eta vs tors. theta energy: -250.771
Dist. restrs. and SS energy: 3.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -2672.280283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.280283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.231432 (E_RNA)
where:
Base-Base interactions energy: -1860.538
where: short stacking energy: -782.270
Base-Backbone interact. energy: -4.628
local terms energy: -809.064965
where:
bonds (distance) C4'-P energy: -148.413
bonds (distance) P-C4' energy: -149.197
flat angles C4'-P-C4' energy: -165.039
flat angles P-C4'-P energy: -118.418
tors. eta vs tors. theta energy: -227.998
Dist. restrs. and SS energy: 1.951 (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: 10
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -2616.723180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.723180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.436091 (E_RNA)
where:
Base-Base interactions energy: -1839.519
where: short stacking energy: -799.295
Base-Backbone interact. energy: -1.101
local terms energy: -780.815604
where:
bonds (distance) C4'-P energy: -138.654
bonds (distance) P-C4' energy: -139.388
flat angles C4'-P-C4' energy: -158.869
flat angles P-C4'-P energy: -110.102
tors. eta vs tors. theta energy: -233.803
Dist. restrs. and SS energy: 4.713 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -2490.348407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.348407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.252138 (E_RNA)
where:
Base-Base interactions energy: -1731.904
where: short stacking energy: -744.576
Base-Backbone interact. energy: -1.660
local terms energy: -764.688113
where:
bonds (distance) C4'-P energy: -120.080
bonds (distance) P-C4' energy: -147.874
flat angles C4'-P-C4' energy: -164.685
flat angles P-C4'-P energy: -113.714
tors. eta vs tors. theta energy: -218.335
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: 5, replica: 3
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -2458.201680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.201680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.822828 (E_RNA)
where:
Base-Base interactions energy: -1725.861
where: short stacking energy: -707.895
Base-Backbone interact. energy: 0.798
local terms energy: -741.759663
where:
bonds (distance) C4'-P energy: -131.187
bonds (distance) P-C4' energy: -133.886
flat angles C4'-P-C4' energy: -157.605
flat angles P-C4'-P energy: -108.174
tors. eta vs tors. theta energy: -210.908
Dist. restrs. and SS energy: 8.621 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -2335.203018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.203018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.679217 (E_RNA)
where:
Base-Base interactions energy: -1660.749
where: short stacking energy: -695.694
Base-Backbone interact. energy: -0.996
local terms energy: -688.934140
where:
bonds (distance) C4'-P energy: -102.957
bonds (distance) P-C4' energy: -124.195
flat angles C4'-P-C4' energy: -153.531
flat angles P-C4'-P energy: -103.327
tors. eta vs tors. theta energy: -204.924
Dist. restrs. and SS energy: 15.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -2242.998547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.998547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.232869 (E_RNA)
where:
Base-Base interactions energy: -1576.765
where: short stacking energy: -662.564
Base-Backbone interact. energy: 4.950
local terms energy: -682.417129
where:
bonds (distance) C4'-P energy: -113.710
bonds (distance) P-C4' energy: -120.062
flat angles C4'-P-C4' energy: -156.298
flat angles P-C4'-P energy: -95.040
tors. eta vs tors. theta energy: -197.307
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: 8, replica: 7
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -2145.135570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.135570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.454025 (E_RNA)
where:
Base-Base interactions energy: -1523.014
where: short stacking energy: -642.442
Base-Backbone interact. energy: -1.789
local terms energy: -635.650543
where:
bonds (distance) C4'-P energy: -112.491
bonds (distance) P-C4' energy: -112.445
flat angles C4'-P-C4' energy: -123.019
flat angles P-C4'-P energy: -94.953
tors. eta vs tors. theta energy: -192.742
Dist. restrs. and SS energy: 15.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -2017.239807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.239807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.138103 (E_RNA)
where:
Base-Base interactions energy: -1425.849
where: short stacking energy: -576.381
Base-Backbone interact. energy: -2.252
local terms energy: -603.037220
where:
bonds (distance) C4'-P energy: -107.559
bonds (distance) P-C4' energy: -116.645
flat angles C4'-P-C4' energy: -136.913
flat angles P-C4'-P energy: -71.473
tors. eta vs tors. theta energy: -170.447
Dist. restrs. and SS energy: 13.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -1956.356835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.356835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.551472 (E_RNA)
where:
Base-Base interactions energy: -1391.728
where: short stacking energy: -575.536
Base-Backbone interact. energy: -1.371
local terms energy: -575.452351
where:
bonds (distance) C4'-P energy: -111.537
bonds (distance) P-C4' energy: -100.954
flat angles C4'-P-C4' energy: -129.836
flat angles P-C4'-P energy: -76.480
tors. eta vs tors. theta energy: -156.645
Dist. restrs. and SS energy: 12.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -2744.297924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2744.297924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.098569 (E_RNA)
where:
Base-Base interactions energy: -1918.439
where: short stacking energy: -825.930
Base-Backbone interact. energy: -3.023
local terms energy: -825.636228
where:
bonds (distance) C4'-P energy: -144.097
bonds (distance) P-C4' energy: -149.828
flat angles C4'-P-C4' energy: -170.369
flat angles P-C4'-P energy: -120.762
tors. eta vs tors. theta energy: -240.580
Dist. restrs. and SS energy: 2.801 (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: 2
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -2663.116716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.116716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.946882 (E_RNA)
where:
Base-Base interactions energy: -1858.771
where: short stacking energy: -797.133
Base-Backbone interact. energy: 1.540
local terms energy: -809.716039
where:
bonds (distance) C4'-P energy: -136.820
bonds (distance) P-C4' energy: -140.083
flat angles C4'-P-C4' energy: -178.691
flat angles P-C4'-P energy: -119.930
tors. eta vs tors. theta energy: -234.192
Dist. restrs. and SS energy: 3.830 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -2587.058605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.058605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.416389 (E_RNA)
where:
Base-Base interactions energy: -1815.106
where: short stacking energy: -762.644
Base-Backbone interact. energy: -2.610
local terms energy: -771.700159
where:
bonds (distance) C4'-P energy: -126.671
bonds (distance) P-C4' energy: -129.970
flat angles C4'-P-C4' energy: -171.516
flat angles P-C4'-P energy: -107.683
tors. eta vs tors. theta energy: -235.861
Dist. restrs. and SS energy: 2.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -2486.915307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.915307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.046823 (E_RNA)
where:
Base-Base interactions energy: -1725.579
where: short stacking energy: -730.663
Base-Backbone interact. energy: 3.659
local terms energy: -777.126416
where:
bonds (distance) C4'-P energy: -148.838
bonds (distance) P-C4' energy: -132.964
flat angles C4'-P-C4' energy: -160.532
flat angles P-C4'-P energy: -115.318
tors. eta vs tors. theta energy: -219.475
Dist. restrs. and SS energy: 12.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -2457.763768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.763768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.974732 (E_RNA)
where:
Base-Base interactions energy: -1744.443
where: short stacking energy: -730.877
Base-Backbone interact. energy: -1.424
local terms energy: -723.107519
where:
bonds (distance) C4'-P energy: -132.348
bonds (distance) P-C4' energy: -127.253
flat angles C4'-P-C4' energy: -161.106
flat angles P-C4'-P energy: -83.487
tors. eta vs tors. theta energy: -218.914
Dist. restrs. and SS energy: 11.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -2359.089620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.089620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.594818 (E_RNA)
where:
Base-Base interactions energy: -1666.255
where: short stacking energy: -706.400
Base-Backbone interact. energy: -5.843
local terms energy: -699.496832
where:
bonds (distance) C4'-P energy: -115.998
bonds (distance) P-C4' energy: -120.791
flat angles C4'-P-C4' energy: -152.123
flat angles P-C4'-P energy: -95.922
tors. eta vs tors. theta energy: -214.663
Dist. restrs. and SS energy: 12.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -2238.214589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.214589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.010700 (E_RNA)
where:
Base-Base interactions energy: -1586.757
where: short stacking energy: -666.785
Base-Backbone interact. energy: -2.306
local terms energy: -659.947187
where:
bonds (distance) C4'-P energy: -114.474
bonds (distance) P-C4' energy: -118.413
flat angles C4'-P-C4' energy: -144.681
flat angles P-C4'-P energy: -80.847
tors. eta vs tors. theta energy: -201.532
Dist. restrs. and SS energy: 10.796 (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: 7
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -2124.152017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.152017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.967064 (E_RNA)
where:
Base-Base interactions energy: -1534.794
where: short stacking energy: -659.373
Base-Backbone interact. energy: 3.140
local terms energy: -610.312840
where:
bonds (distance) C4'-P energy: -107.579
bonds (distance) P-C4' energy: -93.000
flat angles C4'-P-C4' energy: -120.471
flat angles P-C4'-P energy: -90.617
tors. eta vs tors. theta energy: -198.646
Dist. restrs. and SS energy: 17.815 (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: 6
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -2067.215545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.215545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.165314 (E_RNA)
where:
Base-Base interactions energy: -1477.527
where: short stacking energy: -600.970
Base-Backbone interact. energy: -2.179
local terms energy: -598.460000
where:
bonds (distance) C4'-P energy: -132.291
bonds (distance) P-C4' energy: -103.477
flat angles C4'-P-C4' energy: -102.585
flat angles P-C4'-P energy: -86.789
tors. eta vs tors. theta energy: -173.317
Dist. restrs. and SS energy: 10.950 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -1950.749619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.749619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.567433 (E_RNA)
where:
Base-Base interactions energy: -1377.221
where: short stacking energy: -558.376
Base-Backbone interact. energy: -0.020
local terms energy: -596.326578
where:
bonds (distance) C4'-P energy: -121.785
bonds (distance) P-C4' energy: -102.878
flat angles C4'-P-C4' energy: -132.428
flat angles P-C4'-P energy: -83.990
tors. eta vs tors. theta energy: -155.247
Dist. restrs. and SS energy: 22.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -2758.231412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.231412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.963556 (E_RNA)
where:
Base-Base interactions energy: -1920.842
where: short stacking energy: -820.198
Base-Backbone interact. energy: -4.707
local terms energy: -836.414354
where:
bonds (distance) C4'-P energy: -145.583
bonds (distance) P-C4' energy: -152.812
flat angles C4'-P-C4' energy: -173.791
flat angles P-C4'-P energy: -127.493
tors. eta vs tors. theta energy: -236.735
Dist. restrs. and SS energy: 3.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -2654.755395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.755395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.738424 (E_RNA)
where:
Base-Base interactions energy: -1864.682
where: short stacking energy: -813.625
Base-Backbone interact. energy: -1.869
local terms energy: -794.187650
where:
bonds (distance) C4'-P energy: -145.626
bonds (distance) P-C4' energy: -132.186
flat angles C4'-P-C4' energy: -166.388
flat angles P-C4'-P energy: -110.777
tors. eta vs tors. theta energy: -239.211
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: 3, replica: 10
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -2586.761350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.761350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.033875 (E_RNA)
where:
Base-Base interactions energy: -1802.780
where: short stacking energy: -750.396
Base-Backbone interact. energy: -5.398
local terms energy: -782.855900
where:
bonds (distance) C4'-P energy: -138.183
bonds (distance) P-C4' energy: -153.325
flat angles C4'-P-C4' energy: -152.238
flat angles P-C4'-P energy: -116.381
tors. eta vs tors. theta energy: -222.729
Dist. restrs. and SS energy: 4.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -2515.121050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.121050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.549603 (E_RNA)
where:
Base-Base interactions energy: -1769.738
where: short stacking energy: -738.411
Base-Backbone interact. energy: -0.975
local terms energy: -750.836849
where:
bonds (distance) C4'-P energy: -144.969
bonds (distance) P-C4' energy: -129.058
flat angles C4'-P-C4' energy: -158.266
flat angles P-C4'-P energy: -98.790
tors. eta vs tors. theta energy: -219.754
Dist. restrs. and SS energy: 6.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -2429.427884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.427884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.395359 (E_RNA)
where:
Base-Base interactions energy: -1713.521
where: short stacking energy: -711.759
Base-Backbone interact. energy: -3.116
local terms energy: -724.757846
where:
bonds (distance) C4'-P energy: -121.206
bonds (distance) P-C4' energy: -121.046
flat angles C4'-P-C4' energy: -150.593
flat angles P-C4'-P energy: -115.786
tors. eta vs tors. theta energy: -216.127
Dist. restrs. and SS energy: 11.967 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -2338.831310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.831310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.541330 (E_RNA)
where:
Base-Base interactions energy: -1629.271
where: short stacking energy: -679.812
Base-Backbone interact. energy: -1.825
local terms energy: -717.445417
where:
bonds (distance) C4'-P energy: -125.886
bonds (distance) P-C4' energy: -140.893
flat angles C4'-P-C4' energy: -142.145
flat angles P-C4'-P energy: -86.300
tors. eta vs tors. theta energy: -222.221
Dist. restrs. and SS energy: 9.710 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -2267.336378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.336378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.564311 (E_RNA)
where:
Base-Base interactions energy: -1609.341
where: short stacking energy: -676.984
Base-Backbone interact. energy: -2.172
local terms energy: -669.051194
where:
bonds (distance) C4'-P energy: -120.274
bonds (distance) P-C4' energy: -122.314
flat angles C4'-P-C4' energy: -147.027
flat angles P-C4'-P energy: -80.459
tors. eta vs tors. theta energy: -198.977
Dist. restrs. and SS energy: 13.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -2097.533635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.533635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.023998 (E_RNA)
where:
Base-Base interactions energy: -1454.145
where: short stacking energy: -611.377
Base-Backbone interact. energy: -0.355
local terms energy: -668.524183
where:
bonds (distance) C4'-P energy: -122.218
bonds (distance) P-C4' energy: -125.813
flat angles C4'-P-C4' energy: -145.813
flat angles P-C4'-P energy: -93.767
tors. eta vs tors. theta energy: -180.913
Dist. restrs. and SS energy: 25.490 (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: 6
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -2058.015409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.015409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.485703 (E_RNA)
where:
Base-Base interactions energy: -1461.569
where: short stacking energy: -592.326
Base-Backbone interact. energy: 1.483
local terms energy: -612.400308
where:
bonds (distance) C4'-P energy: -108.462
bonds (distance) P-C4' energy: -122.712
flat angles C4'-P-C4' energy: -127.168
flat angles P-C4'-P energy: -86.245
tors. eta vs tors. theta energy: -167.813
Dist. restrs. and SS energy: 14.470 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -1973.892317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.892317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.514739 (E_RNA)
where:
Base-Base interactions energy: -1421.127
where: short stacking energy: -559.150
Base-Backbone interact. energy: -3.887
local terms energy: -557.500496
where:
bonds (distance) C4'-P energy: -94.637
bonds (distance) P-C4' energy: -113.917
flat angles C4'-P-C4' energy: -117.190
flat angles P-C4'-P energy: -74.087
tors. eta vs tors. theta energy: -157.670
Dist. restrs. and SS energy: 8.622 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -2726.417854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.417854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.015722 (E_RNA)
where:
Base-Base interactions energy: -1914.642
where: short stacking energy: -779.332
Base-Backbone interact. energy: -6.389
local terms energy: -808.984658
where:
bonds (distance) C4'-P energy: -141.120
bonds (distance) P-C4' energy: -155.330
flat angles C4'-P-C4' energy: -170.605
flat angles P-C4'-P energy: -116.267
tors. eta vs tors. theta energy: -225.663
Dist. restrs. and SS energy: 3.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -2655.964031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.964031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.332839 (E_RNA)
where:
Base-Base interactions energy: -1855.375
where: short stacking energy: -801.590
Base-Backbone interact. energy: -1.856
local terms energy: -802.101757
where:
bonds (distance) C4'-P energy: -145.081
bonds (distance) P-C4' energy: -149.463
flat angles C4'-P-C4' energy: -171.932
flat angles P-C4'-P energy: -102.857
tors. eta vs tors. theta energy: -232.769
Dist. restrs. and SS energy: 3.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -2630.702073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.702073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.421157 (E_RNA)
where:
Base-Base interactions energy: -1865.887
where: short stacking energy: -787.624
Base-Backbone interact. energy: -0.986
local terms energy: -767.548515
where:
bonds (distance) C4'-P energy: -122.742
bonds (distance) P-C4' energy: -136.171
flat angles C4'-P-C4' energy: -162.936
flat angles P-C4'-P energy: -116.173
tors. eta vs tors. theta energy: -229.526
Dist. restrs. and SS energy: 3.719 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -2503.604404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.604404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.399691 (E_RNA)
where:
Base-Base interactions energy: -1768.297
where: short stacking energy: -736.892
Base-Backbone interact. energy: -0.089
local terms energy: -740.013144
where:
bonds (distance) C4'-P energy: -129.023
bonds (distance) P-C4' energy: -122.401
flat angles C4'-P-C4' energy: -168.872
flat angles P-C4'-P energy: -101.548
tors. eta vs tors. theta energy: -218.169
Dist. restrs. and SS energy: 4.795 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -2433.388173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.388173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.785013 (E_RNA)
where:
Base-Base interactions energy: -1702.114
where: short stacking energy: -711.185
Base-Backbone interact. energy: -0.387
local terms energy: -741.284015
where:
bonds (distance) C4'-P energy: -127.521
bonds (distance) P-C4' energy: -136.480
flat angles C4'-P-C4' energy: -157.509
flat angles P-C4'-P energy: -108.071
tors. eta vs tors. theta energy: -211.703
Dist. restrs. and SS energy: 10.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -2328.027990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.027990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.893995 (E_RNA)
where:
Base-Base interactions energy: -1646.254
where: short stacking energy: -662.127
Base-Backbone interact. energy: -0.198
local terms energy: -689.442506
where:
bonds (distance) C4'-P energy: -122.546
bonds (distance) P-C4' energy: -123.884
flat angles C4'-P-C4' energy: -150.702
flat angles P-C4'-P energy: -93.207
tors. eta vs tors. theta energy: -199.104
Dist. restrs. and SS energy: 7.866 (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: 9
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -2242.575407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.575407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.076337 (E_RNA)
where:
Base-Base interactions energy: -1582.134
where: short stacking energy: -661.516
Base-Backbone interact. energy: -3.014
local terms energy: -670.927704
where:
bonds (distance) C4'-P energy: -125.328
bonds (distance) P-C4' energy: -120.420
flat angles C4'-P-C4' energy: -135.187
flat angles P-C4'-P energy: -95.761
tors. eta vs tors. theta energy: -194.231
Dist. restrs. and SS energy: 13.501 (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: 7
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -2080.842845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.842845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.262696 (E_RNA)
where:
Base-Base interactions energy: -1446.061
where: short stacking energy: -609.482
Base-Backbone interact. energy: -2.723
local terms energy: -658.478276
where:
bonds (distance) C4'-P energy: -120.604
bonds (distance) P-C4' energy: -121.549
flat angles C4'-P-C4' energy: -137.627
flat angles P-C4'-P energy: -87.020
tors. eta vs tors. theta energy: -191.678
Dist. restrs. and SS energy: 26.420 (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: 6
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -2058.149317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.149317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.407653 (E_RNA)
where:
Base-Base interactions energy: -1481.413
where: short stacking energy: -603.309
Base-Backbone interact. energy: -2.968
local terms energy: -586.025758
where:
bonds (distance) C4'-P energy: -104.832
bonds (distance) P-C4' energy: -118.699
flat angles C4'-P-C4' energy: -124.194
flat angles P-C4'-P energy: -73.086
tors. eta vs tors. theta energy: -165.215
Dist. restrs. and SS energy: 12.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -1962.510015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.510015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.605513 (E_RNA)
where:
Base-Base interactions energy: -1429.703
where: short stacking energy: -578.569
Base-Backbone interact. energy: 5.910
local terms energy: -546.811756
where:
bonds (distance) C4'-P energy: -97.428
bonds (distance) P-C4' energy: -100.566
flat angles C4'-P-C4' energy: -123.984
flat angles P-C4'-P energy: -74.800
tors. eta vs tors. theta energy: -150.034
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: 1, replica: 8
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -2715.917253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.917253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.804058 (E_RNA)
where:
Base-Base interactions energy: -1912.585
where: short stacking energy: -826.838
Base-Backbone interact. energy: -3.014
local terms energy: -804.205396
where:
bonds (distance) C4'-P energy: -141.671
bonds (distance) P-C4' energy: -141.347
flat angles C4'-P-C4' energy: -175.788
flat angles P-C4'-P energy: -101.405
tors. eta vs tors. theta energy: -243.994
Dist. restrs. and SS energy: 3.887 (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: 2
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -2639.696767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.696767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.195829 (E_RNA)
where:
Base-Base interactions energy: -1823.546
where: short stacking energy: -798.792
Base-Backbone interact. energy: -1.850
local terms energy: -818.799250
where:
bonds (distance) C4'-P energy: -147.180
bonds (distance) P-C4' energy: -137.256
flat angles C4'-P-C4' energy: -179.961
flat angles P-C4'-P energy: -111.038
tors. eta vs tors. theta energy: -243.364
Dist. restrs. and SS energy: 4.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -2624.918205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.918205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.556012 (E_RNA)
where:
Base-Base interactions energy: -1839.253
where: short stacking energy: -770.674
Base-Backbone interact. energy: -0.559
local terms energy: -789.744149
where:
bonds (distance) C4'-P energy: -136.126
bonds (distance) P-C4' energy: -138.889
flat angles C4'-P-C4' energy: -159.616
flat angles P-C4'-P energy: -121.066
tors. eta vs tors. theta energy: -234.047
Dist. restrs. and SS energy: 4.638 (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: 166
Temperature: 1.050000
Total energy: -2499.480320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.480320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.769989 (E_RNA)
where:
Base-Base interactions energy: -1753.105
where: short stacking energy: -717.453
Base-Backbone interact. energy: -2.372
local terms energy: -754.292845
where:
bonds (distance) C4'-P energy: -141.093
bonds (distance) P-C4' energy: -126.265
flat angles C4'-P-C4' energy: -166.729
flat angles P-C4'-P energy: -104.731
tors. eta vs tors. theta energy: -215.474
Dist. restrs. and SS energy: 10.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -2456.104806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.104806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.545826 (E_RNA)
where:
Base-Base interactions energy: -1710.721
where: short stacking energy: -713.395
Base-Backbone interact. energy: -3.514
local terms energy: -751.311396
where:
bonds (distance) C4'-P energy: -123.143
bonds (distance) P-C4' energy: -142.453
flat angles C4'-P-C4' energy: -159.668
flat angles P-C4'-P energy: -112.239
tors. eta vs tors. theta energy: -213.809
Dist. restrs. and SS energy: 9.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -2323.087198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.087198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.038953 (E_RNA)
where:
Base-Base interactions energy: -1610.061
where: short stacking energy: -669.996
Base-Backbone interact. energy: -2.728
local terms energy: -719.249742
where:
bonds (distance) C4'-P energy: -139.397
bonds (distance) P-C4' energy: -135.108
flat angles C4'-P-C4' energy: -141.165
flat angles P-C4'-P energy: -102.606
tors. eta vs tors. theta energy: -200.973
Dist. restrs. and SS energy: 8.952 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -2223.031704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.031704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.249608 (E_RNA)
where:
Base-Base interactions energy: -1563.335
where: short stacking energy: -661.393
Base-Backbone interact. energy: -2.559
local terms energy: -674.355095
where:
bonds (distance) C4'-P energy: -118.189
bonds (distance) P-C4' energy: -120.100
flat angles C4'-P-C4' energy: -143.042
flat angles P-C4'-P energy: -89.420
tors. eta vs tors. theta energy: -203.604
Dist. restrs. and SS energy: 17.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -2133.436877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.436877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.639798 (E_RNA)
where:
Base-Base interactions energy: -1494.571
where: short stacking energy: -625.289
Base-Backbone interact. energy: -0.949
local terms energy: -659.119946
where:
bonds (distance) C4'-P energy: -128.246
bonds (distance) P-C4' energy: -117.029
flat angles C4'-P-C4' energy: -138.113
flat angles P-C4'-P energy: -95.832
tors. eta vs tors. theta energy: -179.900
Dist. restrs. and SS energy: 21.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -2038.847239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.847239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.197305 (E_RNA)
where:
Base-Base interactions energy: -1485.523
where: short stacking energy: -589.639
Base-Backbone interact. energy: 7.858
local terms energy: -572.532620
where:
bonds (distance) C4'-P energy: -106.223
bonds (distance) P-C4' energy: -102.290
flat angles C4'-P-C4' energy: -118.170
flat angles P-C4'-P energy: -79.667
tors. eta vs tors. theta energy: -166.183
Dist. restrs. and SS energy: 11.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -1989.201556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.201556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.528655 (E_RNA)
where:
Base-Base interactions energy: -1425.953
where: short stacking energy: -604.285
Base-Backbone interact. energy: 1.115
local terms energy: -575.690183
where:
bonds (distance) C4'-P energy: -94.581
bonds (distance) P-C4' energy: -124.193
flat angles C4'-P-C4' energy: -132.024
flat angles P-C4'-P energy: -59.273
tors. eta vs tors. theta energy: -165.620
Dist. restrs. and SS energy: 11.327 (S_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: -2738.884065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.884065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.112811 (E_RNA)
where:
Base-Base interactions energy: -1869.120
where: short stacking energy: -813.087
Base-Backbone interact. energy: -4.153
local terms energy: -868.839763
where:
bonds (distance) C4'-P energy: -157.553
bonds (distance) P-C4' energy: -159.616
flat angles C4'-P-C4' energy: -181.595
flat angles P-C4'-P energy: -124.832
tors. eta vs tors. theta energy: -245.244
Dist. restrs. and SS energy: 3.229 (S_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: 167
Temperature: 0.950000
Total energy: -2648.374609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.374609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.440762 (E_RNA)
where:
Base-Base interactions energy: -1891.425
where: short stacking energy: -799.441
Base-Backbone interact. energy: -1.356
local terms energy: -762.659858
where:
bonds (distance) C4'-P energy: -131.946
bonds (distance) P-C4' energy: -126.437
flat angles C4'-P-C4' energy: -167.311
flat angles P-C4'-P energy: -106.616
tors. eta vs tors. theta energy: -230.351
Dist. restrs. and SS energy: 7.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -2602.521141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.521141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.761269 (E_RNA)
where:
Base-Base interactions energy: -1827.972
where: short stacking energy: -764.335
Base-Backbone interact. energy: -4.067
local terms energy: -772.722438
where:
bonds (distance) C4'-P energy: -132.058
bonds (distance) P-C4' energy: -137.287
flat angles C4'-P-C4' energy: -167.371
flat angles P-C4'-P energy: -119.102
tors. eta vs tors. theta energy: -216.904
Dist. restrs. and SS energy: 2.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -2482.575775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.575775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.174550 (E_RNA)
where:
Base-Base interactions energy: -1749.548
where: short stacking energy: -732.843
Base-Backbone interact. energy: -1.561
local terms energy: -740.065295
where:
bonds (distance) C4'-P energy: -130.923
bonds (distance) P-C4' energy: -137.002
flat angles C4'-P-C4' energy: -161.873
flat angles P-C4'-P energy: -106.657
tors. eta vs tors. theta energy: -203.611
Dist. restrs. and SS energy: 8.599 (S_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: 167
Temperature: 1.100000
Total energy: -2445.296228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.296228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.472402 (E_RNA)
where:
Base-Base interactions energy: -1718.575
where: short stacking energy: -710.445
Base-Backbone interact. energy: -1.937
local terms energy: -730.959851
where:
bonds (distance) C4'-P energy: -153.777
bonds (distance) P-C4' energy: -130.829
flat angles C4'-P-C4' energy: -155.035
flat angles P-C4'-P energy: -76.637
tors. eta vs tors. theta energy: -214.683
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: 6, replica: 5
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -2287.961219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.961219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.742320 (E_RNA)
where:
Base-Base interactions energy: -1614.935
where: short stacking energy: -652.847
Base-Backbone interact. energy: -1.585
local terms energy: -679.222263
where:
bonds (distance) C4'-P energy: -111.320
bonds (distance) P-C4' energy: -132.487
flat angles C4'-P-C4' energy: -139.782
flat angles P-C4'-P energy: -90.612
tors. eta vs tors. theta energy: -205.021
Dist. restrs. and SS energy: 7.781 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -2251.898878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.898878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.884921 (E_RNA)
where:
Base-Base interactions energy: -1599.605
where: short stacking energy: -646.758
Base-Backbone interact. energy: 0.315
local terms energy: -668.595327
where:
bonds (distance) C4'-P energy: -114.562
bonds (distance) P-C4' energy: -127.653
flat angles C4'-P-C4' energy: -144.051
flat angles P-C4'-P energy: -89.420
tors. eta vs tors. theta energy: -192.909
Dist. restrs. and SS energy: 15.986 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -2080.690446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.690446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.598089 (E_RNA)
where:
Base-Base interactions energy: -1474.426
where: short stacking energy: -626.773
Base-Backbone interact. energy: -3.214
local terms energy: -618.958094
where:
bonds (distance) C4'-P energy: -115.372
bonds (distance) P-C4' energy: -120.145
flat angles C4'-P-C4' energy: -120.041
flat angles P-C4'-P energy: -75.728
tors. eta vs tors. theta energy: -187.673
Dist. restrs. and SS energy: 15.908 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -2023.596481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.596481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.131551 (E_RNA)
where:
Base-Base interactions energy: -1429.671
where: short stacking energy: -616.362
Base-Backbone interact. energy: 1.725
local terms energy: -620.185812
where:
bonds (distance) C4'-P energy: -102.281
bonds (distance) P-C4' energy: -122.187
flat angles C4'-P-C4' energy: -152.107
flat angles P-C4'-P energy: -84.354
tors. eta vs tors. theta energy: -159.258
Dist. restrs. and SS energy: 24.535 (S_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: 167
Temperature: 1.350000
Total energy: -2018.741174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.741174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.208555 (E_RNA)
where:
Base-Base interactions energy: -1411.557
where: short stacking energy: -582.315
Base-Backbone interact. energy: -3.903
local terms energy: -616.748863
where:
bonds (distance) C4'-P energy: -95.728
bonds (distance) P-C4' energy: -99.462
flat angles C4'-P-C4' energy: -148.614
flat angles P-C4'-P energy: -97.075
tors. eta vs tors. theta energy: -175.869
Dist. restrs. and SS energy: 13.467 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -2741.143934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.143934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.997251 (E_RNA)
where:
Base-Base interactions energy: -1916.899
where: short stacking energy: -823.044
Base-Backbone interact. energy: -3.483
local terms energy: -823.614734
where:
bonds (distance) C4'-P energy: -141.000
bonds (distance) P-C4' energy: -145.775
flat angles C4'-P-C4' energy: -168.665
flat angles P-C4'-P energy: -124.339
tors. eta vs tors. theta energy: -243.835
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: 2, replica: 2
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -2646.463221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.463221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.577975 (E_RNA)
where:
Base-Base interactions energy: -1831.872
where: short stacking energy: -781.623
Base-Backbone interact. energy: -3.555
local terms energy: -815.150834
where:
bonds (distance) C4'-P energy: -141.539
bonds (distance) P-C4' energy: -145.467
flat angles C4'-P-C4' energy: -166.594
flat angles P-C4'-P energy: -125.206
tors. eta vs tors. theta energy: -236.345
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: 3, replica: 10
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -2643.267954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.267954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.240735 (E_RNA)
where:
Base-Base interactions energy: -1869.794
where: short stacking energy: -787.147
Base-Backbone interact. energy: -3.459
local terms energy: -773.987782
where:
bonds (distance) C4'-P energy: -138.701
bonds (distance) P-C4' energy: -129.097
flat angles C4'-P-C4' energy: -162.933
flat angles P-C4'-P energy: -105.320
tors. eta vs tors. theta energy: -237.937
Dist. restrs. and SS energy: 3.973 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -2527.255584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.255584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.204780 (E_RNA)
where:
Base-Base interactions energy: -1802.504
where: short stacking energy: -761.018
Base-Backbone interact. energy: -0.879
local terms energy: -732.822361
where:
bonds (distance) C4'-P energy: -120.439
bonds (distance) P-C4' energy: -142.699
flat angles C4'-P-C4' energy: -160.702
flat angles P-C4'-P energy: -100.438
tors. eta vs tors. theta energy: -208.544
Dist. restrs. and SS energy: 8.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -2428.336048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.336048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.788140 (E_RNA)
where:
Base-Base interactions energy: -1703.630
where: short stacking energy: -729.653
Base-Backbone interact. energy: -1.012
local terms energy: -733.145958
where:
bonds (distance) C4'-P energy: -126.626
bonds (distance) P-C4' energy: -133.488
flat angles C4'-P-C4' energy: -154.903
flat angles P-C4'-P energy: -98.574
tors. eta vs tors. theta energy: -219.554
Dist. restrs. and SS energy: 9.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -2324.157861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.157861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.439316 (E_RNA)
where:
Base-Base interactions energy: -1647.559
where: short stacking energy: -700.144
Base-Backbone interact. energy: -4.696
local terms energy: -680.183768
where:
bonds (distance) C4'-P energy: -129.862
bonds (distance) P-C4' energy: -126.627
flat angles C4'-P-C4' energy: -144.658
flat angles P-C4'-P energy: -69.150
tors. eta vs tors. theta energy: -209.888
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: 7, replica: 9
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -2272.351915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.351915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.186500 (E_RNA)
where:
Base-Base interactions energy: -1598.128
where: short stacking energy: -696.342
Base-Backbone interact. energy: -1.957
local terms energy: -691.101256
where:
bonds (distance) C4'-P energy: -119.858
bonds (distance) P-C4' energy: -112.049
flat angles C4'-P-C4' energy: -141.213
flat angles P-C4'-P energy: -107.961
tors. eta vs tors. theta energy: -210.020
Dist. restrs. and SS energy: 18.835 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -2075.066440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.066440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.223710 (E_RNA)
where:
Base-Base interactions energy: -1474.962
where: short stacking energy: -620.463
Base-Backbone interact. energy: 0.114
local terms energy: -620.376130
where:
bonds (distance) C4'-P energy: -94.917
bonds (distance) P-C4' energy: -108.779
flat angles C4'-P-C4' energy: -151.200
flat angles P-C4'-P energy: -90.499
tors. eta vs tors. theta energy: -174.982
Dist. restrs. and SS energy: 20.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -2053.568939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.568939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.472332 (E_RNA)
where:
Base-Base interactions energy: -1464.380
where: short stacking energy: -587.649
Base-Backbone interact. energy: -3.305
local terms energy: -593.787150
where:
bonds (distance) C4'-P energy: -106.702
bonds (distance) P-C4' energy: -112.137
flat angles C4'-P-C4' energy: -122.904
flat angles P-C4'-P energy: -85.392
tors. eta vs tors. theta energy: -166.653
Dist. restrs. and SS energy: 7.903 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -2017.132794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.132794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.920744 (E_RNA)
where:
Base-Base interactions energy: -1429.621
where: short stacking energy: -572.187
Base-Backbone interact. energy: -2.075
local terms energy: -596.224692
where:
bonds (distance) C4'-P energy: -113.378
bonds (distance) P-C4' energy: -110.397
flat angles C4'-P-C4' energy: -146.848
flat angles P-C4'-P energy: -62.880
tors. eta vs tors. theta energy: -162.722
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: 1, replica: 8
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -2710.793111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.793111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.440137 (E_RNA)
where:
Base-Base interactions energy: -1867.516
where: short stacking energy: -827.695
Base-Backbone interact. energy: -5.952
local terms energy: -839.972636
where:
bonds (distance) C4'-P energy: -154.055
bonds (distance) P-C4' energy: -144.690
flat angles C4'-P-C4' energy: -170.779
flat angles P-C4'-P energy: -117.983
tors. eta vs tors. theta energy: -252.465
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: 2, replica: 2
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -2657.884828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.884828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.565008 (E_RNA)
where:
Base-Base interactions energy: -1852.258
where: short stacking energy: -772.687
Base-Backbone interact. energy: -0.482
local terms energy: -807.824295
where:
bonds (distance) C4'-P energy: -144.822
bonds (distance) P-C4' energy: -132.898
flat angles C4'-P-C4' energy: -174.116
flat angles P-C4'-P energy: -121.576
tors. eta vs tors. theta energy: -234.413
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: 10
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -2609.231164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.231164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.108889 (E_RNA)
where:
Base-Base interactions energy: -1810.999
where: short stacking energy: -749.749
Base-Backbone interact. energy: -3.598
local terms energy: -798.512327
where:
bonds (distance) C4'-P energy: -146.614
bonds (distance) P-C4' energy: -126.034
flat angles C4'-P-C4' energy: -162.857
flat angles P-C4'-P energy: -124.035
tors. eta vs tors. theta energy: -238.973
Dist. restrs. and SS energy: 3.878 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -2540.614889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.614889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.957954 (E_RNA)
where:
Base-Base interactions energy: -1799.477
where: short stacking energy: -777.524
Base-Backbone interact. energy: -1.175
local terms energy: -746.306638
where:
bonds (distance) C4'-P energy: -135.540
bonds (distance) P-C4' energy: -134.742
flat angles C4'-P-C4' energy: -164.528
flat angles P-C4'-P energy: -105.904
tors. eta vs tors. theta energy: -205.593
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: 5, replica: 1
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -2427.893274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.893274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.319322 (E_RNA)
where:
Base-Base interactions energy: -1698.458
where: short stacking energy: -733.663
Base-Backbone interact. energy: -3.143
local terms energy: -734.718915
where:
bonds (distance) C4'-P energy: -129.586
bonds (distance) P-C4' energy: -128.061
flat angles C4'-P-C4' energy: -159.168
flat angles P-C4'-P energy: -97.305
tors. eta vs tors. theta energy: -220.598
Dist. restrs. and SS energy: 8.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -2350.348596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.348596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.857739 (E_RNA)
where:
Base-Base interactions energy: -1666.568
where: short stacking energy: -691.509
Base-Backbone interact. energy: -5.678
local terms energy: -684.612066
where:
bonds (distance) C4'-P energy: -106.371
bonds (distance) P-C4' energy: -126.591
flat angles C4'-P-C4' energy: -157.098
flat angles P-C4'-P energy: -87.223
tors. eta vs tors. theta energy: -207.329
Dist. restrs. and SS energy: 6.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -2257.345804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.345804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.410261 (E_RNA)
where:
Base-Base interactions energy: -1614.713
where: short stacking energy: -677.576
Base-Backbone interact. energy: -1.755
local terms energy: -653.942924
where:
bonds (distance) C4'-P energy: -124.129
bonds (distance) P-C4' energy: -120.713
flat angles C4'-P-C4' energy: -121.225
flat angles P-C4'-P energy: -90.076
tors. eta vs tors. theta energy: -197.801
Dist. restrs. and SS energy: 13.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -2155.463752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.463752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.735082 (E_RNA)
where:
Base-Base interactions energy: -1516.587
where: short stacking energy: -658.540
Base-Backbone interact. energy: 0.108
local terms energy: -649.255971
where:
bonds (distance) C4'-P energy: -113.467
bonds (distance) P-C4' energy: -131.123
flat angles C4'-P-C4' energy: -119.230
flat angles P-C4'-P energy: -94.496
tors. eta vs tors. theta energy: -190.940
Dist. restrs. and SS energy: 10.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -2002.425165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.425165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.876889 (E_RNA)
where:
Base-Base interactions energy: -1434.818
where: short stacking energy: -591.109
Base-Backbone interact. energy: 2.657
local terms energy: -587.716510
where:
bonds (distance) C4'-P energy: -88.659
bonds (distance) P-C4' energy: -125.663
flat angles C4'-P-C4' energy: -138.212
flat angles P-C4'-P energy: -84.662
tors. eta vs tors. theta energy: -150.521
Dist. restrs. and SS energy: 17.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -2023.462929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.462929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.737971 (E_RNA)
where:
Base-Base interactions energy: -1423.837
where: short stacking energy: -597.313
Base-Backbone interact. energy: 5.020
local terms energy: -615.921559
where:
bonds (distance) C4'-P energy: -136.274
bonds (distance) P-C4' energy: -106.758
flat angles C4'-P-C4' energy: -136.108
flat angles P-C4'-P energy: -77.214
tors. eta vs tors. theta energy: -159.567
Dist. restrs. and SS energy: 11.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -2729.512152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.512152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.772023 (E_RNA)
where:
Base-Base interactions energy: -1885.637
where: short stacking energy: -807.245
Base-Backbone interact. energy: -6.969
local terms energy: -839.165959
where:
bonds (distance) C4'-P energy: -143.772
bonds (distance) P-C4' energy: -147.366
flat angles C4'-P-C4' energy: -177.293
flat angles P-C4'-P energy: -126.738
tors. eta vs tors. theta energy: -243.998
Dist. restrs. and SS energy: 2.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -2641.436526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.436526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.935931 (E_RNA)
where:
Base-Base interactions energy: -1861.739
where: short stacking energy: -799.893
Base-Backbone interact. energy: -2.016
local terms energy: -783.180715
where:
bonds (distance) C4'-P energy: -139.949
bonds (distance) P-C4' energy: -141.790
flat angles C4'-P-C4' energy: -173.018
flat angles P-C4'-P energy: -105.912
tors. eta vs tors. theta energy: -222.512
Dist. restrs. and SS energy: 5.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -2642.263740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.263740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.710338 (E_RNA)
where:
Base-Base interactions energy: -1866.985
where: short stacking energy: -805.435
Base-Backbone interact. energy: -1.368
local terms energy: -777.357566
where:
bonds (distance) C4'-P energy: -133.618
bonds (distance) P-C4' energy: -137.842
flat angles C4'-P-C4' energy: -166.640
flat angles P-C4'-P energy: -101.160
tors. eta vs tors. theta energy: -238.098
Dist. restrs. and SS energy: 3.447 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -2516.625833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.625833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.108071 (E_RNA)
where:
Base-Base interactions energy: -1774.248
where: short stacking energy: -742.530
Base-Backbone interact. energy: -4.046
local terms energy: -745.814232
where:
bonds (distance) C4'-P energy: -137.858
bonds (distance) P-C4' energy: -134.473
flat angles C4'-P-C4' energy: -162.608
flat angles P-C4'-P energy: -104.663
tors. eta vs tors. theta energy: -206.212
Dist. restrs. and SS energy: 7.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -2415.084680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.084680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.541032 (E_RNA)
where:
Base-Base interactions energy: -1724.839
where: short stacking energy: -729.407
Base-Backbone interact. energy: -0.580
local terms energy: -698.121343
where:
bonds (distance) C4'-P energy: -100.789
bonds (distance) P-C4' energy: -131.885
flat angles C4'-P-C4' energy: -159.294
flat angles P-C4'-P energy: -94.380
tors. eta vs tors. theta energy: -211.773
Dist. restrs. and SS energy: 8.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -2313.344120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.344120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.972676 (E_RNA)
where:
Base-Base interactions energy: -1642.994
where: short stacking energy: -705.022
Base-Backbone interact. energy: -0.636
local terms energy: -675.342390
where:
bonds (distance) C4'-P energy: -124.429
bonds (distance) P-C4' energy: -120.895
flat angles C4'-P-C4' energy: -142.209
flat angles P-C4'-P energy: -83.347
tors. eta vs tors. theta energy: -204.463
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: 7, replica: 9
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -2219.680830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.680830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.962957 (E_RNA)
where:
Base-Base interactions energy: -1541.294
where: short stacking energy: -662.989
Base-Backbone interact. energy: -3.253
local terms energy: -691.416388
where:
bonds (distance) C4'-P energy: -118.122
bonds (distance) P-C4' energy: -124.257
flat angles C4'-P-C4' energy: -148.241
flat angles P-C4'-P energy: -88.455
tors. eta vs tors. theta energy: -212.341
Dist. restrs. and SS energy: 16.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -2124.155318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.155318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.417756 (E_RNA)
where:
Base-Base interactions energy: -1483.576
where: short stacking energy: -625.131
Base-Backbone interact. energy: -1.502
local terms energy: -651.339778
where:
bonds (distance) C4'-P energy: -120.225
bonds (distance) P-C4' energy: -125.713
flat angles C4'-P-C4' energy: -139.867
flat angles P-C4'-P energy: -80.884
tors. eta vs tors. theta energy: -184.651
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: 9, replica: 4
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -2063.776145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.776145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.681012 (E_RNA)
where:
Base-Base interactions energy: -1443.501
where: short stacking energy: -608.387
Base-Backbone interact. energy: -1.447
local terms energy: -628.733075
where:
bonds (distance) C4'-P energy: -122.437
bonds (distance) P-C4' energy: -120.049
flat angles C4'-P-C4' energy: -136.614
flat angles P-C4'-P energy: -80.890
tors. eta vs tors. theta energy: -168.743
Dist. restrs. and SS energy: 9.905 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -1938.056112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.056112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.043324 (E_RNA)
where:
Base-Base interactions energy: -1400.902
where: short stacking energy: -566.694
Base-Backbone interact. energy: -2.492
local terms energy: -552.648694
where:
bonds (distance) C4'-P energy: -108.333
bonds (distance) P-C4' energy: -89.717
flat angles C4'-P-C4' energy: -140.614
flat angles P-C4'-P energy: -71.324
tors. eta vs tors. theta energy: -142.660
Dist. restrs. and SS energy: 17.987 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -2743.712352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2743.712352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.961655 (E_RNA)
where:
Base-Base interactions energy: -1900.028
where: short stacking energy: -811.089
Base-Backbone interact. energy: -3.418
local terms energy: -842.515327
where:
bonds (distance) C4'-P energy: -152.839
bonds (distance) P-C4' energy: -148.621
flat angles C4'-P-C4' energy: -173.112
flat angles P-C4'-P energy: -119.960
tors. eta vs tors. theta energy: -247.983
Dist. restrs. and SS energy: 2.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -2741.460156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.460156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.166863 (E_RNA)
where:
Base-Base interactions energy: -1908.592
where: short stacking energy: -796.472
Base-Backbone interact. energy: -1.253
local terms energy: -835.321071
where:
bonds (distance) C4'-P energy: -145.817
bonds (distance) P-C4' energy: -145.611
flat angles C4'-P-C4' energy: -178.477
flat angles P-C4'-P energy: -125.410
tors. eta vs tors. theta energy: -240.005
Dist. restrs. and SS energy: 3.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -2611.702980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.702980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.550971 (E_RNA)
where:
Base-Base interactions energy: -1839.033
where: short stacking energy: -768.505
Base-Backbone interact. energy: -1.168
local terms energy: -777.349797
where:
bonds (distance) C4'-P energy: -149.201
bonds (distance) P-C4' energy: -135.358
flat angles C4'-P-C4' energy: -163.087
flat angles P-C4'-P energy: -109.914
tors. eta vs tors. theta energy: -219.790
Dist. restrs. and SS energy: 5.848 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -2490.433616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.433616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.121943 (E_RNA)
where:
Base-Base interactions energy: -1758.238
where: short stacking energy: -738.613
Base-Backbone interact. energy: -3.112
local terms energy: -735.772373
where:
bonds (distance) C4'-P energy: -116.573
bonds (distance) P-C4' energy: -149.274
flat angles C4'-P-C4' energy: -147.636
flat angles P-C4'-P energy: -111.342
tors. eta vs tors. theta energy: -210.947
Dist. restrs. and SS energy: 6.688 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -2432.656257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.656257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.971473 (E_RNA)
where:
Base-Base interactions energy: -1704.099
where: short stacking energy: -725.465
Base-Backbone interact. energy: -4.198
local terms energy: -731.675246
where:
bonds (distance) C4'-P energy: -133.582
bonds (distance) P-C4' energy: -121.261
flat angles C4'-P-C4' energy: -166.441
flat angles P-C4'-P energy: -95.813
tors. eta vs tors. theta energy: -214.577
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: 6, replica: 5
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -2353.112985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.112985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.511955 (E_RNA)
where:
Base-Base interactions energy: -1639.380
where: short stacking energy: -688.631
Base-Backbone interact. energy: -0.279
local terms energy: -720.852717
where:
bonds (distance) C4'-P energy: -131.479
bonds (distance) P-C4' energy: -116.530
flat angles C4'-P-C4' energy: -154.259
flat angles P-C4'-P energy: -102.862
tors. eta vs tors. theta energy: -215.723
Dist. restrs. and SS energy: 7.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -2192.872846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.872846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.248708 (E_RNA)
where:
Base-Base interactions energy: -1526.118
where: short stacking energy: -637.775
Base-Backbone interact. energy: -2.118
local terms energy: -680.012504
where:
bonds (distance) C4'-P energy: -120.854
bonds (distance) P-C4' energy: -122.377
flat angles C4'-P-C4' energy: -165.098
flat angles P-C4'-P energy: -91.076
tors. eta vs tors. theta energy: -180.608
Dist. restrs. and SS energy: 15.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -2143.431591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.431591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.827419 (E_RNA)
where:
Base-Base interactions energy: -1540.683
where: short stacking energy: -639.418
Base-Backbone interact. energy: -2.676
local terms energy: -608.468496
where:
bonds (distance) C4'-P energy: -118.769
bonds (distance) P-C4' energy: -112.191
flat angles C4'-P-C4' energy: -117.391
flat angles P-C4'-P energy: -86.206
tors. eta vs tors. theta energy: -173.911
Dist. restrs. and SS energy: 8.396 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -1975.705477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.705477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.355659 (E_RNA)
where:
Base-Base interactions energy: -1429.249
where: short stacking energy: -574.038
Base-Backbone interact. energy: 5.329
local terms energy: -568.435628
where:
bonds (distance) C4'-P energy: -94.961
bonds (distance) P-C4' energy: -103.869
flat angles C4'-P-C4' energy: -130.629
flat angles P-C4'-P energy: -85.025
tors. eta vs tors. theta energy: -153.950
Dist. restrs. and SS energy: 16.650 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -1972.263115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.263115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.159977 (E_RNA)
where:
Base-Base interactions energy: -1383.758
where: short stacking energy: -546.796
Base-Backbone interact. energy: 0.507
local terms energy: -612.909415
where:
bonds (distance) C4'-P energy: -120.664
bonds (distance) P-C4' energy: -122.922
flat angles C4'-P-C4' energy: -130.356
flat angles P-C4'-P energy: -82.462
tors. eta vs tors. theta energy: -156.506
Dist. restrs. and SS energy: 23.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -2735.020339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.020339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.608983 (E_RNA)
where:
Base-Base interactions energy: -1903.643
where: short stacking energy: -824.550
Base-Backbone interact. energy: -3.473
local terms energy: -831.492789
where:
bonds (distance) C4'-P energy: -148.888
bonds (distance) P-C4' energy: -151.846
flat angles C4'-P-C4' energy: -170.568
flat angles P-C4'-P energy: -117.244
tors. eta vs tors. theta energy: -242.947
Dist. restrs. and SS energy: 3.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -2682.957411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.957411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.508410 (E_RNA)
where:
Base-Base interactions energy: -1875.732
where: short stacking energy: -783.479
Base-Backbone interact. energy: -1.028
local terms energy: -808.748614
where:
bonds (distance) C4'-P energy: -148.019
bonds (distance) P-C4' energy: -148.885
flat angles C4'-P-C4' energy: -167.132
flat angles P-C4'-P energy: -112.335
tors. eta vs tors. theta energy: -232.377
Dist. restrs. and SS energy: 2.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -2580.178730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.178730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.982389 (E_RNA)
where:
Base-Base interactions energy: -1834.222
where: short stacking energy: -746.238
Base-Backbone interact. energy: -3.285
local terms energy: -747.475710
where:
bonds (distance) C4'-P energy: -124.745
bonds (distance) P-C4' energy: -137.408
flat angles C4'-P-C4' energy: -151.170
flat angles P-C4'-P energy: -122.462
tors. eta vs tors. theta energy: -211.691
Dist. restrs. and SS energy: 4.804 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -2509.381351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.381351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.609718 (E_RNA)
where:
Base-Base interactions energy: -1800.358
where: short stacking energy: -743.005
Base-Backbone interact. energy: 1.462
local terms energy: -713.713606
where:
bonds (distance) C4'-P energy: -115.453
bonds (distance) P-C4' energy: -125.959
flat angles C4'-P-C4' energy: -167.149
flat angles P-C4'-P energy: -99.315
tors. eta vs tors. theta energy: -205.837
Dist. restrs. and SS energy: 3.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -2412.290145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.290145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.303558 (E_RNA)
where:
Base-Base interactions energy: -1717.490
where: short stacking energy: -717.245
Base-Backbone interact. energy: -3.327
local terms energy: -699.486225
where:
bonds (distance) C4'-P energy: -110.716
bonds (distance) P-C4' energy: -122.613
flat angles C4'-P-C4' energy: -152.155
flat angles P-C4'-P energy: -101.950
tors. eta vs tors. theta energy: -212.051
Dist. restrs. and SS energy: 8.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -2335.056680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.056680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.845081 (E_RNA)
where:
Base-Base interactions energy: -1632.256
where: short stacking energy: -693.825
Base-Backbone interact. energy: -2.489
local terms energy: -705.099397
where:
bonds (distance) C4'-P energy: -132.462
bonds (distance) P-C4' energy: -115.566
flat angles C4'-P-C4' energy: -153.762
flat angles P-C4'-P energy: -100.664
tors. eta vs tors. theta energy: -202.645
Dist. restrs. and SS energy: 4.788 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -2165.192958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.192958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.408857 (E_RNA)
where:
Base-Base interactions energy: -1510.681
where: short stacking energy: -636.896
Base-Backbone interact. energy: 3.417
local terms energy: -667.145556
where:
bonds (distance) C4'-P energy: -121.575
bonds (distance) P-C4' energy: -141.072
flat angles C4'-P-C4' energy: -133.676
flat angles P-C4'-P energy: -91.371
tors. eta vs tors. theta energy: -179.451
Dist. restrs. and SS energy: 9.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -2157.624052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.624052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.864630 (E_RNA)
where:
Base-Base interactions energy: -1493.273
where: short stacking energy: -636.424
Base-Backbone interact. energy: -1.208
local terms energy: -679.383574
where:
bonds (distance) C4'-P energy: -111.327
bonds (distance) P-C4' energy: -143.595
flat angles C4'-P-C4' energy: -154.335
flat angles P-C4'-P energy: -78.770
tors. eta vs tors. theta energy: -191.357
Dist. restrs. and SS energy: 16.241 (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: 6
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -1974.281868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.281868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.353791 (E_RNA)
where:
Base-Base interactions energy: -1417.713
where: short stacking energy: -578.834
Base-Backbone interact. energy: -1.417
local terms energy: -570.223486
where:
bonds (distance) C4'-P energy: -107.070
bonds (distance) P-C4' energy: -98.478
flat angles C4'-P-C4' energy: -126.375
flat angles P-C4'-P energy: -79.584
tors. eta vs tors. theta energy: -158.716
Dist. restrs. and SS energy: 15.072 (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: 7
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -1947.738230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.738230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.501677 (E_RNA)
where:
Base-Base interactions energy: -1349.884
where: short stacking energy: -553.295
Base-Backbone interact. energy: 0.795
local terms energy: -617.413481
where:
bonds (distance) C4'-P energy: -107.802
bonds (distance) P-C4' energy: -126.237
flat angles C4'-P-C4' energy: -120.902
flat angles P-C4'-P energy: -103.537
tors. eta vs tors. theta energy: -158.936
Dist. restrs. and SS energy: 18.763 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -2726.439239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.439239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.666774 (E_RNA)
where:
Base-Base interactions energy: -1895.131
where: short stacking energy: -796.785
Base-Backbone interact. energy: -3.128
local terms energy: -831.407431
where:
bonds (distance) C4'-P energy: -142.512
bonds (distance) P-C4' energy: -145.605
flat angles C4'-P-C4' energy: -178.846
flat angles P-C4'-P energy: -124.556
tors. eta vs tors. theta energy: -239.889
Dist. restrs. and SS energy: 3.228 (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: 10
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -2695.037245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.037245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.447400 (E_RNA)
where:
Base-Base interactions energy: -1893.409
where: short stacking energy: -812.266
Base-Backbone interact. energy: -0.769
local terms energy: -805.268760
where:
bonds (distance) C4'-P energy: -144.955
bonds (distance) P-C4' energy: -143.944
flat angles C4'-P-C4' energy: -153.153
flat angles P-C4'-P energy: -116.859
tors. eta vs tors. theta energy: -246.357
Dist. restrs. and SS energy: 4.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -2568.187574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.187574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.687536 (E_RNA)
where:
Base-Base interactions energy: -1820.998
where: short stacking energy: -740.578
Base-Backbone interact. energy: 1.477
local terms energy: -753.167094
where:
bonds (distance) C4'-P energy: -121.734
bonds (distance) P-C4' energy: -139.608
flat angles C4'-P-C4' energy: -167.040
flat angles P-C4'-P energy: -103.738
tors. eta vs tors. theta energy: -221.046
Dist. restrs. and SS energy: 4.500 (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: 2
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -2528.970015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.970015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.638800 (E_RNA)
where:
Base-Base interactions energy: -1783.105
where: short stacking energy: -742.861
Base-Backbone interact. energy: -2.189
local terms energy: -747.344796
where:
bonds (distance) C4'-P energy: -118.845
bonds (distance) P-C4' energy: -144.840
flat angles C4'-P-C4' energy: -162.727
flat angles P-C4'-P energy: -99.035
tors. eta vs tors. theta energy: -221.897
Dist. restrs. and SS energy: 3.669 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -2406.491613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.491613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.450216 (E_RNA)
where:
Base-Base interactions energy: -1671.399
where: short stacking energy: -713.441
Base-Backbone interact. energy: -3.076
local terms energy: -743.974574
where:
bonds (distance) C4'-P energy: -129.285
bonds (distance) P-C4' energy: -138.946
flat angles C4'-P-C4' energy: -169.302
flat angles P-C4'-P energy: -105.415
tors. eta vs tors. theta energy: -201.026
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: 6, replica: 5
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -2377.918328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.918328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.027424 (E_RNA)
where:
Base-Base interactions energy: -1669.189
where: short stacking energy: -706.748
Base-Backbone interact. energy: 1.170
local terms energy: -716.007538
where:
bonds (distance) C4'-P energy: -130.791
bonds (distance) P-C4' energy: -131.637
flat angles C4'-P-C4' energy: -150.036
flat angles P-C4'-P energy: -102.887
tors. eta vs tors. theta energy: -200.657
Dist. restrs. and SS energy: 6.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -2135.548610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.548610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.854659 (E_RNA)
where:
Base-Base interactions energy: -1495.252
where: short stacking energy: -642.199
Base-Backbone interact. energy: 0.723
local terms energy: -655.325530
where:
bonds (distance) C4'-P energy: -129.638
bonds (distance) P-C4' energy: -111.808
flat angles C4'-P-C4' energy: -147.602
flat angles P-C4'-P energy: -94.795
tors. eta vs tors. theta energy: -171.484
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: 8, replica: 9
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -2142.860323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.860323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.390471 (E_RNA)
where:
Base-Base interactions energy: -1509.860
where: short stacking energy: -640.056
Base-Backbone interact. energy: 2.195
local terms energy: -645.725586
where:
bonds (distance) C4'-P energy: -111.506
bonds (distance) P-C4' energy: -108.182
flat angles C4'-P-C4' energy: -134.903
flat angles P-C4'-P energy: -90.678
tors. eta vs tors. theta energy: -200.456
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: 9, replica: 6
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -1995.735280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.735280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.653221 (E_RNA)
where:
Base-Base interactions energy: -1413.984
where: short stacking energy: -578.169
Base-Backbone interact. energy: 2.787
local terms energy: -598.455660
where:
bonds (distance) C4'-P energy: -103.168
bonds (distance) P-C4' energy: -107.483
flat angles C4'-P-C4' energy: -141.338
flat angles P-C4'-P energy: -88.628
tors. eta vs tors. theta energy: -157.838
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: 10, replica: 7
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -1955.741231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.741231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.866580 (E_RNA)
where:
Base-Base interactions energy: -1393.011
where: short stacking energy: -561.219
Base-Backbone interact. energy: 1.203
local terms energy: -587.058548
where:
bonds (distance) C4'-P energy: -105.436
bonds (distance) P-C4' energy: -116.175
flat angles C4'-P-C4' energy: -142.280
flat angles P-C4'-P energy: -68.835
tors. eta vs tors. theta energy: -154.333
Dist. restrs. and SS energy: 23.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -2736.669658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.669658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2741.422436 (E_RNA)
where:
Base-Base interactions energy: -1901.182
where: short stacking energy: -809.543
Base-Backbone interact. energy: -1.556
local terms energy: -838.684560
where:
bonds (distance) C4'-P energy: -157.305
bonds (distance) P-C4' energy: -140.419
flat angles C4'-P-C4' energy: -172.802
flat angles P-C4'-P energy: -127.311
tors. eta vs tors. theta energy: -240.847
Dist. restrs. and SS energy: 4.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -2667.738639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.738639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.201108 (E_RNA)
where:
Base-Base interactions energy: -1878.943
where: short stacking energy: -793.391
Base-Backbone interact. energy: -3.058
local terms energy: -790.200452
where:
bonds (distance) C4'-P energy: -137.804
bonds (distance) P-C4' energy: -140.664
flat angles C4'-P-C4' energy: -166.596
flat angles P-C4'-P energy: -117.411
tors. eta vs tors. theta energy: -227.726
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: 3, replica: 2
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -2598.736351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.736351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.653422 (E_RNA)
where:
Base-Base interactions energy: -1820.627
where: short stacking energy: -776.636
Base-Backbone interact. energy: -0.840
local terms energy: -780.185660
where:
bonds (distance) C4'-P energy: -118.781
bonds (distance) P-C4' energy: -141.258
flat angles C4'-P-C4' energy: -165.453
flat angles P-C4'-P energy: -119.236
tors. eta vs tors. theta energy: -235.458
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: 4, replica: 3
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -2533.164315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.164315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.778387 (E_RNA)
where:
Base-Base interactions energy: -1830.197
where: short stacking energy: -742.633
Base-Backbone interact. energy: 0.405
local terms energy: -706.985699
where:
bonds (distance) C4'-P energy: -129.031
bonds (distance) P-C4' energy: -112.314
flat angles C4'-P-C4' energy: -136.095
flat angles P-C4'-P energy: -115.401
tors. eta vs tors. theta energy: -214.146
Dist. restrs. and SS energy: 3.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -2441.664068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.664068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.728976 (E_RNA)
where:
Base-Base interactions energy: -1722.998
where: short stacking energy: -719.837
Base-Backbone interact. energy: 4.558
local terms energy: -735.288972
where:
bonds (distance) C4'-P energy: -117.255
bonds (distance) P-C4' energy: -140.097
flat angles C4'-P-C4' energy: -151.653
flat angles P-C4'-P energy: -110.527
tors. eta vs tors. theta energy: -215.757
Dist. restrs. and SS energy: 12.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -2302.472850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.472850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.360078 (E_RNA)
where:
Base-Base interactions energy: -1604.778
where: short stacking energy: -671.492
Base-Backbone interact. energy: -1.162
local terms energy: -705.419930
where:
bonds (distance) C4'-P energy: -111.204
bonds (distance) P-C4' energy: -137.306
flat angles C4'-P-C4' energy: -152.678
flat angles P-C4'-P energy: -103.225
tors. eta vs tors. theta energy: -201.006
Dist. restrs. and SS energy: 8.887 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -2177.874180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.874180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.066133 (E_RNA)
where:
Base-Base interactions energy: -1562.108
where: short stacking energy: -648.767
Base-Backbone interact. energy: 1.723
local terms energy: -633.681190
where:
bonds (distance) C4'-P energy: -99.035
bonds (distance) P-C4' energy: -109.777
flat angles C4'-P-C4' energy: -141.891
flat angles P-C4'-P energy: -80.953
tors. eta vs tors. theta energy: -202.024
Dist. restrs. and SS energy: 16.192 (S_DIST_RNA)
chem. 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: -2142.455541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.455541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.892395 (E_RNA)
where:
Base-Base interactions energy: -1505.474
where: short stacking energy: -653.133
Base-Backbone interact. energy: 4.704
local terms energy: -650.122721
where:
bonds (distance) C4'-P energy: -115.697
bonds (distance) P-C4' energy: -138.275
flat angles C4'-P-C4' energy: -118.194
flat angles P-C4'-P energy: -97.200
tors. eta vs tors. theta energy: -180.757
Dist. restrs. and SS energy: 8.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -2045.914132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.914132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.322146 (E_RNA)
where:
Base-Base interactions energy: -1462.237
where: short stacking energy: -581.281
Base-Backbone interact. energy: -1.125
local terms energy: -594.959981
where:
bonds (distance) C4'-P energy: -89.303
bonds (distance) P-C4' energy: -119.053
flat angles C4'-P-C4' energy: -144.295
flat angles P-C4'-P energy: -90.142
tors. eta vs tors. theta energy: -152.167
Dist. restrs. and SS energy: 12.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -1959.400504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.400504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.672196 (E_RNA)
where:
Base-Base interactions energy: -1387.858
where: short stacking energy: -559.192
Base-Backbone interact. energy: 1.067
local terms energy: -592.881974
where:
bonds (distance) C4'-P energy: -105.894
bonds (distance) P-C4' energy: -114.547
flat angles C4'-P-C4' energy: -131.676
flat angles P-C4'-P energy: -72.376
tors. eta vs tors. theta energy: -168.389
Dist. restrs. and SS energy: 20.272 (S_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: -2740.886002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.886002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.020738 (E_RNA)
where:
Base-Base interactions energy: -1909.602
where: short stacking energy: -831.133
Base-Backbone interact. energy: -6.752
local terms energy: -826.666900
where:
bonds (distance) C4'-P energy: -158.633
bonds (distance) P-C4' energy: -138.494
flat angles C4'-P-C4' energy: -168.640
flat angles P-C4'-P energy: -107.623
tors. eta vs tors. theta energy: -253.276
Dist. restrs. and SS energy: 2.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -2642.613028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.613028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.973188 (E_RNA)
where:
Base-Base interactions energy: -1844.432
where: short stacking energy: -798.492
Base-Backbone interact. energy: -3.622
local terms energy: -797.918802
where:
bonds (distance) C4'-P energy: -155.349
bonds (distance) P-C4' energy: -139.993
flat angles C4'-P-C4' energy: -155.332
flat angles P-C4'-P energy: -115.065
tors. eta vs tors. theta energy: -232.179
Dist. restrs. and SS energy: 3.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -2594.080704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.080704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.965539 (E_RNA)
where:
Base-Base interactions energy: -1800.898
where: short stacking energy: -758.554
Base-Backbone interact. energy: 1.684
local terms energy: -797.751267
where:
bonds (distance) C4'-P energy: -139.153
bonds (distance) P-C4' energy: -135.886
flat angles C4'-P-C4' energy: -173.930
flat angles P-C4'-P energy: -125.637
tors. eta vs tors. theta energy: -223.146
Dist. restrs. and SS energy: 2.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -2483.446274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.446274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.503195 (E_RNA)
where:
Base-Base interactions energy: -1734.587
where: short stacking energy: -726.794
Base-Backbone interact. energy: -3.516
local terms energy: -753.399888
where:
bonds (distance) C4'-P energy: -144.084
bonds (distance) P-C4' energy: -131.898
flat angles C4'-P-C4' energy: -160.206
flat angles P-C4'-P energy: -101.640
tors. eta vs tors. theta energy: -215.573
Dist. restrs. and SS energy: 8.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -2459.262124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.262124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.284365 (E_RNA)
where:
Base-Base interactions energy: -1750.566
where: short stacking energy: -737.064
Base-Backbone interact. energy: -1.830
local terms energy: -710.888558
where:
bonds (distance) C4'-P energy: -115.945
bonds (distance) P-C4' energy: -136.809
flat angles C4'-P-C4' energy: -156.778
flat angles P-C4'-P energy: -96.547
tors. eta vs tors. theta energy: -204.810
Dist. restrs. and SS energy: 4.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -2326.129916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.129916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.234852 (E_RNA)
where:
Base-Base interactions energy: -1630.801
where: short stacking energy: -672.401
Base-Backbone interact. energy: -1.188
local terms energy: -703.245399
where:
bonds (distance) C4'-P energy: -128.137
bonds (distance) P-C4' energy: -127.790
flat angles C4'-P-C4' energy: -158.822
flat angles P-C4'-P energy: -89.080
tors. eta vs tors. theta energy: -199.418
Dist. restrs. and SS energy: 9.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -2203.960391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.960391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.857503 (E_RNA)
where:
Base-Base interactions energy: -1572.118
where: short stacking energy: -651.879
Base-Backbone interact. energy: -2.202
local terms energy: -652.538319
where:
bonds (distance) C4'-P energy: -110.950
bonds (distance) P-C4' energy: -121.943
flat angles C4'-P-C4' energy: -131.131
flat angles P-C4'-P energy: -86.026
tors. eta vs tors. theta energy: -202.488
Dist. restrs. and SS energy: 22.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -2117.885924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.885924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.838891 (E_RNA)
where:
Base-Base interactions energy: -1470.399
where: short stacking energy: -595.747
Base-Backbone interact. energy: 1.634
local terms energy: -663.074101
where:
bonds (distance) C4'-P energy: -111.591
bonds (distance) P-C4' energy: -151.390
flat angles C4'-P-C4' energy: -141.220
flat angles P-C4'-P energy: -87.689
tors. eta vs tors. theta energy: -171.184
Dist. restrs. and SS energy: 13.953 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -2064.691473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.691473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.223660 (E_RNA)
where:
Base-Base interactions energy: -1456.186
where: short stacking energy: -609.420
Base-Backbone interact. energy: -1.218
local terms energy: -616.819722
where:
bonds (distance) C4'-P energy: -107.540
bonds (distance) P-C4' energy: -103.891
flat angles C4'-P-C4' energy: -133.633
flat angles P-C4'-P energy: -97.321
tors. eta vs tors. theta energy: -174.435
Dist. restrs. and SS energy: 9.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -1943.849500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.849500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.495312 (E_RNA)
where:
Base-Base interactions energy: -1371.234
where: short stacking energy: -567.224
Base-Backbone interact. energy: 0.455
local terms energy: -594.716306
where:
bonds (distance) C4'-P energy: -116.869
bonds (distance) P-C4' energy: -111.327
flat angles C4'-P-C4' energy: -138.525
flat angles P-C4'-P energy: -84.101
tors. eta vs tors. theta energy: -143.894
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: 176
Temperature: 0.900000
Total energy: -2718.716330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.716330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.254508 (E_RNA)
where:
Base-Base interactions energy: -1896.252
where: short stacking energy: -818.195
Base-Backbone interact. energy: -2.961
local terms energy: -824.040947
where:
bonds (distance) C4'-P energy: -139.776
bonds (distance) P-C4' energy: -139.724
flat angles C4'-P-C4' energy: -181.197
flat angles P-C4'-P energy: -115.085
tors. eta vs tors. theta energy: -248.259
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: 10
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -2650.168432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.168432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.072062 (E_RNA)
where:
Base-Base interactions energy: -1833.294
where: short stacking energy: -769.091
Base-Backbone interact. energy: -2.863
local terms energy: -817.915362
where:
bonds (distance) C4'-P energy: -134.698
bonds (distance) P-C4' energy: -153.180
flat angles C4'-P-C4' energy: -170.563
flat angles P-C4'-P energy: -123.358
tors. eta vs tors. theta energy: -236.116
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: 3, replica: 2
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -2579.190577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.190577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.557462 (E_RNA)
where:
Base-Base interactions energy: -1812.388
where: short stacking energy: -780.020
Base-Backbone interact. energy: -0.435
local terms energy: -769.734652
where:
bonds (distance) C4'-P energy: -144.528
bonds (distance) P-C4' energy: -142.824
flat angles C4'-P-C4' energy: -156.883
flat angles P-C4'-P energy: -106.294
tors. eta vs tors. theta energy: -219.206
Dist. restrs. and SS energy: 3.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -2504.631513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.631513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.501912 (E_RNA)
where:
Base-Base interactions energy: -1760.816
where: short stacking energy: -750.844
Base-Backbone interact. energy: -2.978
local terms energy: -751.707009
where:
bonds (distance) C4'-P energy: -123.825
bonds (distance) P-C4' energy: -129.925
flat angles C4'-P-C4' energy: -166.597
flat angles P-C4'-P energy: -98.270
tors. eta vs tors. theta energy: -233.091
Dist. restrs. and SS energy: 10.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -2448.757596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.757596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.126044 (E_RNA)
where:
Base-Base interactions energy: -1719.748
where: short stacking energy: -718.112
Base-Backbone interact. energy: 0.153
local terms energy: -732.531069
where:
bonds (distance) C4'-P energy: -121.665
bonds (distance) P-C4' energy: -142.680
flat angles C4'-P-C4' energy: -153.112
flat angles P-C4'-P energy: -107.682
tors. eta vs tors. theta energy: -207.392
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: 6, replica: 5
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -2309.859160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.859160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.493182 (E_RNA)
where:
Base-Base interactions energy: -1628.022
where: short stacking energy: -677.689
Base-Backbone interact. energy: -0.420
local terms energy: -692.051531
where:
bonds (distance) C4'-P energy: -120.197
bonds (distance) P-C4' energy: -111.657
flat angles C4'-P-C4' energy: -142.427
flat angles P-C4'-P energy: -102.647
tors. eta vs tors. theta energy: -215.123
Dist. restrs. and SS energy: 10.634 (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: 9
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -2215.127711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.127711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.389510 (E_RNA)
where:
Base-Base interactions energy: -1563.110
where: short stacking energy: -644.979
Base-Backbone interact. energy: -0.928
local terms energy: -665.351159
where:
bonds (distance) C4'-P energy: -129.949
bonds (distance) P-C4' energy: -124.331
flat angles C4'-P-C4' energy: -145.236
flat angles P-C4'-P energy: -81.470
tors. eta vs tors. theta energy: -184.366
Dist. restrs. and SS energy: 14.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -2187.414100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.414100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.245704 (E_RNA)
where:
Base-Base interactions energy: -1535.502
where: short stacking energy: -632.885
Base-Backbone interact. energy: -3.757
local terms energy: -656.986123
where:
bonds (distance) C4'-P energy: -114.339
bonds (distance) P-C4' energy: -130.117
flat angles C4'-P-C4' energy: -153.028
flat angles P-C4'-P energy: -68.208
tors. eta vs tors. theta energy: -191.295
Dist. restrs. and SS energy: 8.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -2090.561314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.561314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.209611 (E_RNA)
where:
Base-Base interactions energy: -1471.868
where: short stacking energy: -619.922
Base-Backbone interact. energy: 1.055
local terms energy: -639.397144
where:
bonds (distance) C4'-P energy: -108.419
bonds (distance) P-C4' energy: -109.444
flat angles C4'-P-C4' energy: -154.152
flat angles P-C4'-P energy: -93.275
tors. eta vs tors. theta energy: -174.108
Dist. restrs. and SS energy: 19.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -1922.810021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.810021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.623710 (E_RNA)
where:
Base-Base interactions energy: -1408.939
where: short stacking energy: -555.869
Base-Backbone interact. energy: -1.247
local terms energy: -532.437690
where:
bonds (distance) C4'-P energy: -78.047
bonds (distance) P-C4' energy: -114.722
flat angles C4'-P-C4' energy: -125.497
flat angles P-C4'-P energy: -63.032
tors. eta vs tors. theta energy: -151.139
Dist. restrs. and SS energy: 19.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -2726.551347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.551347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.329296 (E_RNA)
where:
Base-Base interactions energy: -1900.894
where: short stacking energy: -809.231
Base-Backbone interact. energy: -3.589
local terms energy: -825.846247
where:
bonds (distance) C4'-P energy: -142.764
bonds (distance) P-C4' energy: -152.993
flat angles C4'-P-C4' energy: -167.895
flat angles P-C4'-P energy: -118.322
tors. eta vs tors. theta energy: -243.872
Dist. restrs. and SS energy: 3.778 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -2662.452532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.452532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.633089 (E_RNA)
where:
Base-Base interactions energy: -1893.190
where: short stacking energy: -791.326
Base-Backbone interact. energy: 0.209
local terms energy: -772.651998
where:
bonds (distance) C4'-P energy: -136.033
bonds (distance) P-C4' energy: -139.726
flat angles C4'-P-C4' energy: -157.964
flat angles P-C4'-P energy: -109.875
tors. eta vs tors. theta energy: -229.054
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: 3, replica: 10
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -2607.715140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.715140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.340180 (E_RNA)
where:
Base-Base interactions energy: -1835.607
where: short stacking energy: -794.633
Base-Backbone interact. energy: -3.284
local terms energy: -770.449086
where:
bonds (distance) C4'-P energy: -136.135
bonds (distance) P-C4' energy: -140.850
flat angles C4'-P-C4' energy: -156.764
flat angles P-C4'-P energy: -107.163
tors. eta vs tors. theta energy: -229.536
Dist. restrs. and SS energy: 1.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -2537.403041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.403041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.612945 (E_RNA)
where:
Base-Base interactions energy: -1773.072
where: short stacking energy: -742.740
Base-Backbone interact. energy: -4.006
local terms energy: -764.534804
where:
bonds (distance) C4'-P energy: -131.995
bonds (distance) P-C4' energy: -126.850
flat angles C4'-P-C4' energy: -172.928
flat angles P-C4'-P energy: -115.589
tors. eta vs tors. theta energy: -217.173
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: 1
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -2429.816174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.816174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.852407 (E_RNA)
where:
Base-Base interactions energy: -1712.385
where: short stacking energy: -707.200
Base-Backbone interact. energy: -1.593
local terms energy: -723.874668
where:
bonds (distance) C4'-P energy: -140.415
bonds (distance) P-C4' energy: -115.474
flat angles C4'-P-C4' energy: -148.514
flat angles P-C4'-P energy: -99.359
tors. eta vs tors. theta energy: -220.114
Dist. restrs. and SS energy: 8.036 (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: 5
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -2350.131624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.131624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.760064 (E_RNA)
where:
Base-Base interactions energy: -1652.458
where: short stacking energy: -716.430
Base-Backbone interact. energy: 1.295
local terms energy: -707.597268
where:
bonds (distance) C4'-P energy: -130.316
bonds (distance) P-C4' energy: -110.884
flat angles C4'-P-C4' energy: -147.829
flat angles P-C4'-P energy: -107.676
tors. eta vs tors. theta energy: -210.892
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: 9
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -2169.541948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.541948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.670970 (E_RNA)
where:
Base-Base interactions energy: -1543.671
where: short stacking energy: -643.988
Base-Backbone interact. energy: -3.339
local terms energy: -641.661198
where:
bonds (distance) C4'-P energy: -118.320
bonds (distance) P-C4' energy: -118.495
flat angles C4'-P-C4' energy: -132.527
flat angles P-C4'-P energy: -83.775
tors. eta vs tors. theta energy: -188.544
Dist. restrs. and SS energy: 19.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -2158.197368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.197368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.884299 (E_RNA)
where:
Base-Base interactions energy: -1528.027
where: short stacking energy: -601.313
Base-Backbone interact. energy: -2.706
local terms energy: -640.151012
where:
bonds (distance) C4'-P energy: -114.006
bonds (distance) P-C4' energy: -106.656
flat angles C4'-P-C4' energy: -148.053
flat angles P-C4'-P energy: -102.771
tors. eta vs tors. theta energy: -168.666
Dist. restrs. and SS energy: 12.687 (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: 177
Temperature: 1.300000
Total energy: -2043.587331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.587331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.466248 (E_RNA)
where:
Base-Base interactions energy: -1437.499
where: short stacking energy: -588.772
Base-Backbone interact. energy: -1.579
local terms energy: -615.388464
where:
bonds (distance) C4'-P energy: -128.117
bonds (distance) P-C4' energy: -110.158
flat angles C4'-P-C4' energy: -120.181
flat angles P-C4'-P energy: -80.402
tors. eta vs tors. theta energy: -176.531
Dist. restrs. and SS energy: 10.879 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -1966.817015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.817015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.090726 (E_RNA)
where:
Base-Base interactions energy: -1392.030
where: short stacking energy: -562.311
Base-Backbone interact. energy: -2.021
local terms energy: -595.039765
where:
bonds (distance) C4'-P energy: -112.434
bonds (distance) P-C4' energy: -111.851
flat angles C4'-P-C4' energy: -139.550
flat angles P-C4'-P energy: -74.978
tors. eta vs tors. theta energy: -156.226
Dist. restrs. and SS energy: 22.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -2740.188848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.188848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.507987 (E_RNA)
where:
Base-Base interactions energy: -1907.363
where: short stacking energy: -824.815
Base-Backbone interact. energy: -2.497
local terms energy: -833.647419
where:
bonds (distance) C4'-P energy: -141.946
bonds (distance) P-C4' energy: -148.433
flat angles C4'-P-C4' energy: -163.180
flat angles P-C4'-P energy: -125.857
tors. eta vs tors. theta energy: -254.232
Dist. restrs. and SS energy: 3.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -2645.172848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.172848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.723412 (E_RNA)
where:
Base-Base interactions energy: -1848.988
where: short stacking energy: -765.518
Base-Backbone interact. energy: -4.132
local terms energy: -796.603327
where:
bonds (distance) C4'-P energy: -141.550
bonds (distance) P-C4' energy: -141.102
flat angles C4'-P-C4' energy: -171.397
flat angles P-C4'-P energy: -110.658
tors. eta vs tors. theta energy: -231.897
Dist. restrs. and SS energy: 4.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -2601.777959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.777959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.863100 (E_RNA)
where:
Base-Base interactions energy: -1862.387
where: short stacking energy: -796.718
Base-Backbone interact. energy: -0.200
local terms energy: -743.276115
where:
bonds (distance) C4'-P energy: -127.139
bonds (distance) P-C4' energy: -127.546
flat angles C4'-P-C4' energy: -160.973
flat angles P-C4'-P energy: -98.721
tors. eta vs tors. theta energy: -228.898
Dist. restrs. and SS energy: 4.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -2564.569432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.569432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.859832 (E_RNA)
where:
Base-Base interactions energy: -1783.422
where: short stacking energy: -730.529
Base-Backbone interact. energy: -1.442
local terms energy: -782.996049
where:
bonds (distance) C4'-P energy: -130.213
bonds (distance) P-C4' energy: -140.587
flat angles C4'-P-C4' energy: -173.106
flat angles P-C4'-P energy: -116.944
tors. eta vs tors. theta energy: -222.147
Dist. restrs. and SS energy: 3.290 (S_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: 178
Temperature: 1.100000
Total energy: -2407.028404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.028404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.935672 (E_RNA)
where:
Base-Base interactions energy: -1663.332
where: short stacking energy: -713.587
Base-Backbone interact. energy: -2.430
local terms energy: -748.173899
where:
bonds (distance) C4'-P energy: -137.275
bonds (distance) P-C4' energy: -132.389
flat angles C4'-P-C4' energy: -164.686
flat angles P-C4'-P energy: -91.105
tors. eta vs tors. theta energy: -222.719
Dist. restrs. and SS energy: 6.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -2344.102913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.102913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.374815 (E_RNA)
where:
Base-Base interactions energy: -1647.749
where: short stacking energy: -690.029
Base-Backbone interact. energy: -1.528
local terms energy: -706.098213
where:
bonds (distance) C4'-P energy: -131.425
bonds (distance) P-C4' energy: -130.485
flat angles C4'-P-C4' energy: -154.586
flat angles P-C4'-P energy: -91.429
tors. eta vs tors. theta energy: -198.173
Dist. restrs. and SS energy: 11.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -2213.327742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.327742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.874648 (E_RNA)
where:
Base-Base interactions energy: -1564.979
where: short stacking energy: -660.786
Base-Backbone interact. energy: -1.944
local terms energy: -656.952198
where:
bonds (distance) C4'-P energy: -120.947
bonds (distance) P-C4' energy: -125.866
flat angles C4'-P-C4' energy: -151.311
flat angles P-C4'-P energy: -77.171
tors. eta vs tors. theta energy: -181.658
Dist. restrs. and SS energy: 10.547 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -2161.945885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.945885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.443780 (E_RNA)
where:
Base-Base interactions energy: -1548.480
where: short stacking energy: -655.694
Base-Backbone interact. energy: 6.797
local terms energy: -627.760231
where:
bonds (distance) C4'-P energy: -121.801
bonds (distance) P-C4' energy: -108.735
flat angles C4'-P-C4' energy: -131.866
flat angles P-C4'-P energy: -81.417
tors. eta vs tors. theta energy: -183.941
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: 9, replica: 6
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -2040.402673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.402673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.961016 (E_RNA)
where:
Base-Base interactions energy: -1423.651
where: short stacking energy: -586.148
Base-Backbone interact. energy: -2.359
local terms energy: -631.950722
where:
bonds (distance) C4'-P energy: -120.242
bonds (distance) P-C4' energy: -127.284
flat angles C4'-P-C4' energy: -124.391
flat angles P-C4'-P energy: -100.600
tors. eta vs tors. theta energy: -159.433
Dist. restrs. and SS energy: 17.558 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -1898.269448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.269448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.154336 (E_RNA)
where:
Base-Base interactions energy: -1338.176
where: short stacking energy: -556.368
Base-Backbone interact. energy: -0.705
local terms energy: -580.272391
where:
bonds (distance) C4'-P energy: -124.193
bonds (distance) P-C4' energy: -102.405
flat angles C4'-P-C4' energy: -123.563
flat angles P-C4'-P energy: -76.464
tors. eta vs tors. theta energy: -153.648
Dist. restrs. and SS energy: 20.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -2719.109170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.109170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2725.351954 (E_RNA)
where:
Base-Base interactions energy: -1894.890
where: short stacking energy: -818.166
Base-Backbone interact. energy: -0.812
local terms energy: -829.649932
where:
bonds (distance) C4'-P energy: -140.241
bonds (distance) P-C4' energy: -143.706
flat angles C4'-P-C4' energy: -178.619
flat angles P-C4'-P energy: -119.049
tors. eta vs tors. theta energy: -248.034
Dist. restrs. and SS energy: 6.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -2642.503884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.503884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.293005 (E_RNA)
where:
Base-Base interactions energy: -1838.594
where: short stacking energy: -785.674
Base-Backbone interact. energy: -1.316
local terms energy: -806.383094
where:
bonds (distance) C4'-P energy: -149.673
bonds (distance) P-C4' energy: -141.292
flat angles C4'-P-C4' energy: -163.354
flat angles P-C4'-P energy: -118.352
tors. eta vs tors. theta energy: -233.712
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: 3, replica: 10
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -2603.830371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.830371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.228592 (E_RNA)
where:
Base-Base interactions energy: -1842.247
where: short stacking energy: -775.044
Base-Backbone interact. energy: -1.324
local terms energy: -763.657855
where:
bonds (distance) C4'-P energy: -126.599
bonds (distance) P-C4' energy: -124.981
flat angles C4'-P-C4' energy: -166.934
flat angles P-C4'-P energy: -112.269
tors. eta vs tors. theta energy: -232.874
Dist. restrs. and SS energy: 3.398 (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: 3
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -2533.585830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.585830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.021851 (E_RNA)
where:
Base-Base interactions energy: -1785.653
where: short stacking energy: -757.302
Base-Backbone interact. energy: -2.828
local terms energy: -749.540768
where:
bonds (distance) C4'-P energy: -137.388
bonds (distance) P-C4' energy: -112.872
flat angles C4'-P-C4' energy: -159.860
flat angles P-C4'-P energy: -121.319
tors. eta vs tors. theta energy: -218.101
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: 5, replica: 5
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -2407.513014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.513014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.389978 (E_RNA)
where:
Base-Base interactions energy: -1689.744
where: short stacking energy: -700.025
Base-Backbone interact. energy: -1.988
local terms energy: -727.658579
where:
bonds (distance) C4'-P energy: -130.715
bonds (distance) P-C4' energy: -126.897
flat angles C4'-P-C4' energy: -155.849
flat angles P-C4'-P energy: -100.172
tors. eta vs tors. theta energy: -214.026
Dist. restrs. and SS energy: 11.877 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -2326.822385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.822385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.392287 (E_RNA)
where:
Base-Base interactions energy: -1625.072
where: short stacking energy: -679.526
Base-Backbone interact. energy: -1.644
local terms energy: -709.676181
where:
bonds (distance) C4'-P energy: -127.364
bonds (distance) P-C4' energy: -133.046
flat angles C4'-P-C4' energy: -155.511
flat angles P-C4'-P energy: -83.227
tors. eta vs tors. theta energy: -210.527
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: 7, replica: 9
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -2220.328975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.328975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.440654 (E_RNA)
where:
Base-Base interactions energy: -1580.221
where: short stacking energy: -679.598
Base-Backbone interact. energy: -3.278
local terms energy: -649.941739
where:
bonds (distance) C4'-P energy: -123.543
bonds (distance) P-C4' energy: -133.916
flat angles C4'-P-C4' energy: -134.164
flat angles P-C4'-P energy: -69.330
tors. eta vs tors. theta energy: -188.988
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: 8, replica: 4
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -2102.636074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.636074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.563821 (E_RNA)
where:
Base-Base interactions energy: -1472.319
where: short stacking energy: -602.052
Base-Backbone interact. energy: -3.716
local terms energy: -648.528917
where:
bonds (distance) C4'-P energy: -133.436
bonds (distance) P-C4' energy: -98.762
flat angles C4'-P-C4' energy: -153.916
flat angles P-C4'-P energy: -90.752
tors. eta vs tors. theta energy: -171.664
Dist. restrs. and SS energy: 21.928 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -2056.252029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.252029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.373818 (E_RNA)
where:
Base-Base interactions energy: -1472.178
where: short stacking energy: -621.486
Base-Backbone interact. energy: 1.046
local terms energy: -595.241849
where:
bonds (distance) C4'-P energy: -92.778
bonds (distance) P-C4' energy: -102.815
flat angles C4'-P-C4' energy: -142.127
flat angles P-C4'-P energy: -78.448
tors. eta vs tors. theta energy: -179.073
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: 10, replica: 7
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -1943.853355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.853355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.880304 (E_RNA)
where:
Base-Base interactions energy: -1392.191
where: short stacking energy: -575.222
Base-Backbone interact. energy: -2.128
local terms energy: -571.561268
where:
bonds (distance) C4'-P energy: -108.783
bonds (distance) P-C4' energy: -85.122
flat angles C4'-P-C4' energy: -134.159
flat angles P-C4'-P energy: -77.518
tors. eta vs tors. theta energy: -165.979
Dist. restrs. and SS energy: 22.027 (S_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: -2692.977349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.977349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.589794 (E_RNA)
where:
Base-Base interactions energy: -1846.336
where: short stacking energy: -804.892
Base-Backbone interact. energy: -5.594
local terms energy: -845.659335
where:
bonds (distance) C4'-P energy: -164.340
bonds (distance) P-C4' energy: -148.773
flat angles C4'-P-C4' energy: -177.006
flat angles P-C4'-P energy: -114.896
tors. eta vs tors. theta energy: -240.644
Dist. restrs. and SS energy: 4.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -2669.735819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.735819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.680377 (E_RNA)
where:
Base-Base interactions energy: -1863.870
where: short stacking energy: -789.801
Base-Backbone interact. energy: -0.511
local terms energy: -809.300211
where:
bonds (distance) C4'-P energy: -143.668
bonds (distance) P-C4' energy: -147.749
flat angles C4'-P-C4' energy: -171.542
flat angles P-C4'-P energy: -114.281
tors. eta vs tors. theta energy: -232.059
Dist. restrs. and SS energy: 3.945 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -2598.857217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.857217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.369019 (E_RNA)
where:
Base-Base interactions energy: -1840.478
where: short stacking energy: -773.135
Base-Backbone interact. energy: -0.876
local terms energy: -761.014566
where:
bonds (distance) C4'-P energy: -136.757
bonds (distance) P-C4' energy: -136.945
flat angles C4'-P-C4' energy: -156.619
flat angles P-C4'-P energy: -103.779
tors. eta vs tors. theta energy: -226.915
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: 4, replica: 3
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -2519.640382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.640382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.440743 (E_RNA)
where:
Base-Base interactions energy: -1795.279
where: short stacking energy: -739.205
Base-Backbone interact. energy: -5.023
local terms energy: -722.138646
where:
bonds (distance) C4'-P energy: -118.756
bonds (distance) P-C4' energy: -132.283
flat angles C4'-P-C4' energy: -168.022
flat angles P-C4'-P energy: -103.078
tors. eta vs tors. theta energy: -200.000
Dist. restrs. and SS energy: 2.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -2397.171319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.171319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.739903 (E_RNA)
where:
Base-Base interactions energy: -1686.117
where: short stacking energy: -714.520
Base-Backbone interact. energy: -0.674
local terms energy: -717.949006
where:
bonds (distance) C4'-P energy: -120.514
bonds (distance) P-C4' energy: -134.972
flat angles C4'-P-C4' energy: -164.194
flat angles P-C4'-P energy: -90.490
tors. eta vs tors. theta energy: -207.780
Dist. restrs. and SS energy: 7.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -2364.168396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.168396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.332216 (E_RNA)
where:
Base-Base interactions energy: -1668.531
where: short stacking energy: -702.474
Base-Backbone interact. energy: -0.430
local terms energy: -704.371559
where:
bonds (distance) C4'-P energy: -130.891
bonds (distance) P-C4' energy: -115.830
flat angles C4'-P-C4' energy: -152.148
flat angles P-C4'-P energy: -90.543
tors. eta vs tors. theta energy: -214.959
Dist. restrs. and SS energy: 9.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -2199.440600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.440600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.825048 (E_RNA)
where:
Base-Base interactions energy: -1576.732
where: short stacking energy: -637.289
Base-Backbone interact. energy: -2.570
local terms energy: -637.523734
where:
bonds (distance) C4'-P energy: -101.911
bonds (distance) P-C4' energy: -126.615
flat angles C4'-P-C4' energy: -138.120
flat angles P-C4'-P energy: -88.948
tors. eta vs tors. theta energy: -181.930
Dist. restrs. and SS energy: 17.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -2099.753309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.753309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.666193 (E_RNA)
where:
Base-Base interactions energy: -1494.581
where: short stacking energy: -616.692
Base-Backbone interact. energy: 4.429
local terms energy: -623.514017
where:
bonds (distance) C4'-P energy: -129.058
bonds (distance) P-C4' energy: -103.589
flat angles C4'-P-C4' energy: -137.104
flat angles P-C4'-P energy: -79.757
tors. eta vs tors. theta energy: -174.007
Dist. restrs. and SS energy: 13.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -2020.190055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.190055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.759196 (E_RNA)
where:
Base-Base interactions energy: -1433.984
where: short stacking energy: -605.551
Base-Backbone interact. energy: 2.021
local terms energy: -608.796766
where:
bonds (distance) C4'-P energy: -102.651
bonds (distance) P-C4' energy: -121.907
flat angles C4'-P-C4' energy: -141.593
flat angles P-C4'-P energy: -76.868
tors. eta vs tors. theta energy: -165.777
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: 10, replica: 7
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -1887.930420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.930420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.282958 (E_RNA)
where:
Base-Base interactions energy: -1336.989
where: short stacking energy: -552.945
Base-Backbone interact. energy: -1.399
local terms energy: -574.895499
where:
bonds (distance) C4'-P energy: -108.221
bonds (distance) P-C4' energy: -104.286
flat angles C4'-P-C4' energy: -123.629
flat angles P-C4'-P energy: -81.526
tors. eta vs tors. theta energy: -157.233
Dist. restrs. and SS energy: 25.353 (S_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: -2728.076973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.076973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.331225 (E_RNA)
where:
Base-Base interactions energy: -1880.251
where: short stacking energy: -813.577
Base-Backbone interact. energy: -2.079
local terms energy: -851.000918
where:
bonds (distance) C4'-P energy: -142.335
bonds (distance) P-C4' energy: -146.483
flat angles C4'-P-C4' energy: -172.813
flat angles P-C4'-P energy: -134.782
tors. eta vs tors. theta energy: -254.589
Dist. restrs. and SS energy: 5.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -2660.962129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.962129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.471752 (E_RNA)
where:
Base-Base interactions energy: -1880.771
where: short stacking energy: -795.101
Base-Backbone interact. energy: -3.462
local terms energy: -781.238255
where:
bonds (distance) C4'-P energy: -139.515
bonds (distance) P-C4' energy: -142.066
flat angles C4'-P-C4' energy: -159.356
flat angles P-C4'-P energy: -103.451
tors. eta vs tors. theta energy: -236.850
Dist. restrs. and SS energy: 4.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -2602.515462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.515462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.356675 (E_RNA)
where:
Base-Base interactions energy: -1817.145
where: short stacking energy: -771.798
Base-Backbone interact. energy: -0.285
local terms energy: -789.926254
where:
bonds (distance) C4'-P energy: -146.141
bonds (distance) P-C4' energy: -136.358
flat angles C4'-P-C4' energy: -166.190
flat angles P-C4'-P energy: -120.702
tors. eta vs tors. theta energy: -220.535
Dist. restrs. and SS energy: 4.841 (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: 3
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -2528.049323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.049323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.660792 (E_RNA)
where:
Base-Base interactions energy: -1785.244
where: short stacking energy: -762.411
Base-Backbone interact. energy: -2.726
local terms energy: -742.690897
where:
bonds (distance) C4'-P energy: -116.115
bonds (distance) P-C4' energy: -146.885
flat angles C4'-P-C4' energy: -160.335
flat angles P-C4'-P energy: -102.326
tors. eta vs tors. theta energy: -217.031
Dist. restrs. and SS energy: 2.611 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -2392.477941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.477941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.626437 (E_RNA)
where:
Base-Base interactions energy: -1698.784
where: short stacking energy: -716.019
Base-Backbone interact. energy: -2.328
local terms energy: -697.514178
where:
bonds (distance) C4'-P energy: -115.783
bonds (distance) P-C4' energy: -126.636
flat angles C4'-P-C4' energy: -144.652
flat angles P-C4'-P energy: -102.017
tors. eta vs tors. theta energy: -208.426
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: 6, replica: 1
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -2342.154793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.154793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.370686 (E_RNA)
where:
Base-Base interactions energy: -1669.437
where: short stacking energy: -685.195
Base-Backbone interact. energy: -0.595
local terms energy: -679.338814
where:
bonds (distance) C4'-P energy: -108.389
bonds (distance) P-C4' energy: -129.462
flat angles C4'-P-C4' energy: -150.752
flat angles P-C4'-P energy: -103.907
tors. eta vs tors. theta energy: -186.829
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: 9
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -2172.237419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.237419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.343999 (E_RNA)
where:
Base-Base interactions energy: -1517.490
where: short stacking energy: -625.991
Base-Backbone interact. energy: -1.122
local terms energy: -666.731143
where:
bonds (distance) C4'-P energy: -126.418
bonds (distance) P-C4' energy: -116.276
flat angles C4'-P-C4' energy: -145.387
flat angles P-C4'-P energy: -92.874
tors. eta vs tors. theta energy: -185.775
Dist. restrs. and SS energy: 13.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -2106.883310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.883310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.028007 (E_RNA)
where:
Base-Base interactions energy: -1472.203
where: short stacking energy: -630.534
Base-Backbone interact. energy: -2.928
local terms energy: -641.896734
where:
bonds (distance) C4'-P energy: -127.344
bonds (distance) P-C4' energy: -108.372
flat angles C4'-P-C4' energy: -142.542
flat angles P-C4'-P energy: -82.749
tors. eta vs tors. theta energy: -180.889
Dist. restrs. and SS energy: 10.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -2042.665741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.665741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.545370 (E_RNA)
where:
Base-Base interactions energy: -1429.689
where: short stacking energy: -574.740
Base-Backbone interact. energy: -1.258
local terms energy: -629.597809
where:
bonds (distance) C4'-P energy: -119.612
bonds (distance) P-C4' energy: -122.657
flat angles C4'-P-C4' energy: -144.623
flat angles P-C4'-P energy: -75.919
tors. eta vs tors. theta energy: -166.788
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: 7
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -1909.643885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.643885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.988715 (E_RNA)
where:
Base-Base interactions energy: -1305.059
where: short stacking energy: -551.042
Base-Backbone interact. energy: -4.812
local terms energy: -628.117658
where:
bonds (distance) C4'-P energy: -101.916
bonds (distance) P-C4' energy: -125.149
flat angles C4'-P-C4' energy: -158.154
flat angles P-C4'-P energy: -83.217
tors. eta vs tors. theta energy: -159.681
Dist. restrs. and SS energy: 28.345 (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: 8
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -2726.159620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.159620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.857644 (E_RNA)
where:
Base-Base interactions energy: -1887.732
where: short stacking energy: -812.708
Base-Backbone interact. energy: -5.716
local terms energy: -836.409376
where:
bonds (distance) C4'-P energy: -155.822
bonds (distance) P-C4' energy: -156.534
flat angles C4'-P-C4' energy: -165.923
flat angles P-C4'-P energy: -118.271
tors. eta vs tors. theta energy: -239.860
Dist. restrs. and SS energy: 3.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -2646.213531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.213531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.829225 (E_RNA)
where:
Base-Base interactions energy: -1860.747
where: short stacking energy: -788.984
Base-Backbone interact. energy: -5.585
local terms energy: -784.497997
where:
bonds (distance) C4'-P energy: -144.928
bonds (distance) P-C4' energy: -131.106
flat angles C4'-P-C4' energy: -167.248
flat angles P-C4'-P energy: -102.170
tors. eta vs tors. theta energy: -239.046
Dist. restrs. and SS energy: 4.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -2618.080257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.080257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.000872 (E_RNA)
where:
Base-Base interactions energy: -1850.580
where: short stacking energy: -782.439
Base-Backbone interact. energy: -3.936
local terms energy: -766.484574
where:
bonds (distance) C4'-P energy: -123.907
bonds (distance) P-C4' energy: -154.656
flat angles C4'-P-C4' energy: -166.133
flat angles P-C4'-P energy: -98.021
tors. eta vs tors. theta energy: -223.768
Dist. restrs. and SS energy: 2.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -2492.647220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.647220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.874997 (E_RNA)
where:
Base-Base interactions energy: -1761.724
where: short stacking energy: -752.088
Base-Backbone interact. energy: -0.975
local terms energy: -733.176212
where:
bonds (distance) C4'-P energy: -127.013
bonds (distance) P-C4' energy: -131.183
flat angles C4'-P-C4' energy: -158.009
flat angles P-C4'-P energy: -93.305
tors. eta vs tors. theta energy: -223.667
Dist. restrs. and SS energy: 3.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -2427.756300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.756300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.256051 (E_RNA)
where:
Base-Base interactions energy: -1706.929
where: short stacking energy: -730.367
Base-Backbone interact. energy: 0.482
local terms energy: -727.808980
where:
bonds (distance) C4'-P energy: -135.089
bonds (distance) P-C4' energy: -124.494
flat angles C4'-P-C4' energy: -148.354
flat angles P-C4'-P energy: -104.541
tors. eta vs tors. theta energy: -215.330
Dist. restrs. and SS energy: 6.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -2405.969486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.969486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.833151 (E_RNA)
where:
Base-Base interactions energy: -1667.869
where: short stacking energy: -702.959
Base-Backbone interact. energy: -1.721
local terms energy: -741.243537
where:
bonds (distance) C4'-P energy: -127.616
bonds (distance) P-C4' energy: -126.273
flat angles C4'-P-C4' energy: -151.743
flat angles P-C4'-P energy: -109.780
tors. eta vs tors. theta energy: -225.831
Dist. restrs. and SS energy: 4.864 (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: 182
Temperature: 1.200000
Total energy: -2167.535341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.535341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.110458 (E_RNA)
where:
Base-Base interactions energy: -1538.629
where: short stacking energy: -642.981
Base-Backbone interact. energy: 1.029
local terms energy: -641.510504
where:
bonds (distance) C4'-P energy: -108.825
bonds (distance) P-C4' energy: -113.212
flat angles C4'-P-C4' energy: -144.688
flat angles P-C4'-P energy: -85.224
tors. eta vs tors. theta energy: -189.561
Dist. restrs. and SS energy: 11.575 (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: 4
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -2086.677418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.677418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.361987 (E_RNA)
where:
Base-Base interactions energy: -1484.018
where: short stacking energy: -595.941
Base-Backbone interact. energy: -2.288
local terms energy: -609.056424
where:
bonds (distance) C4'-P energy: -117.986
bonds (distance) P-C4' energy: -110.664
flat angles C4'-P-C4' energy: -135.914
flat angles P-C4'-P energy: -79.765
tors. eta vs tors. theta energy: -164.727
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: 7
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -2028.122637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.122637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.721055 (E_RNA)
where:
Base-Base interactions energy: -1440.874
where: short stacking energy: -577.141
Base-Backbone interact. energy: -0.144
local terms energy: -602.702620
where:
bonds (distance) C4'-P energy: -97.905
bonds (distance) P-C4' energy: -116.583
flat angles C4'-P-C4' energy: -137.252
flat angles P-C4'-P energy: -77.287
tors. eta vs tors. theta energy: -173.675
Dist. restrs. and SS energy: 15.598 (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: 182
Temperature: 1.350000
Total energy: -1987.395340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.395340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.047468 (E_RNA)
where:
Base-Base interactions energy: -1407.133
where: short stacking energy: -554.352
Base-Backbone interact. energy: -0.962
local terms energy: -596.951724
where:
bonds (distance) C4'-P energy: -107.936
bonds (distance) P-C4' energy: -100.121
flat angles C4'-P-C4' energy: -134.825
flat angles P-C4'-P energy: -75.090
tors. eta vs tors. theta energy: -178.978
Dist. restrs. and SS energy: 17.652 (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: 8
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -2754.511597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.511597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.842369 (E_RNA)
where:
Base-Base interactions energy: -1899.228
where: short stacking energy: -807.183
Base-Backbone interact. energy: -3.750
local terms energy: -853.863794
where:
bonds (distance) C4'-P energy: -164.092
bonds (distance) P-C4' energy: -141.145
flat angles C4'-P-C4' energy: -175.707
flat angles P-C4'-P energy: -122.601
tors. eta vs tors. theta energy: -250.318
Dist. restrs. and SS energy: 2.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -2644.045950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.045950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.384692 (E_RNA)
where:
Base-Base interactions energy: -1855.018
where: short stacking energy: -784.894
Base-Backbone interact. energy: -4.235
local terms energy: -788.131961
where:
bonds (distance) C4'-P energy: -127.879
bonds (distance) P-C4' energy: -150.084
flat angles C4'-P-C4' energy: -168.640
flat angles P-C4'-P energy: -117.036
tors. eta vs tors. theta energy: -224.493
Dist. restrs. and SS energy: 3.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -2613.606559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.606559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.382142 (E_RNA)
where:
Base-Base interactions energy: -1858.927
where: short stacking energy: -774.202
Base-Backbone interact. energy: 8.767
local terms energy: -767.222964
where:
bonds (distance) C4'-P energy: -118.285
bonds (distance) P-C4' energy: -146.720
flat angles C4'-P-C4' energy: -163.282
flat angles P-C4'-P energy: -114.323
tors. eta vs tors. theta energy: -224.612
Dist. restrs. and SS energy: 3.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -2523.593365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.593365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.254878 (E_RNA)
where:
Base-Base interactions energy: -1780.791
where: short stacking energy: -743.853
Base-Backbone interact. energy: -0.473
local terms energy: -745.990732
where:
bonds (distance) C4'-P energy: -138.284
bonds (distance) P-C4' energy: -132.630
flat angles C4'-P-C4' energy: -155.708
flat angles P-C4'-P energy: -102.112
tors. eta vs tors. theta energy: -217.257
Dist. restrs. and SS energy: 3.662 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -2405.699714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.699714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.747227 (E_RNA)
where:
Base-Base interactions energy: -1708.797
where: short stacking energy: -716.358
Base-Backbone interact. energy: -1.626
local terms energy: -701.324164
where:
bonds (distance) C4'-P energy: -130.980
bonds (distance) P-C4' energy: -123.701
flat angles C4'-P-C4' energy: -148.756
flat angles P-C4'-P energy: -86.491
tors. eta vs tors. theta energy: -211.395
Dist. restrs. and SS energy: 6.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -2342.706249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.706249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.382515 (E_RNA)
where:
Base-Base interactions energy: -1634.849
where: short stacking energy: -689.261
Base-Backbone interact. energy: -0.421
local terms energy: -720.113024
where:
bonds (distance) C4'-P energy: -112.714
bonds (distance) P-C4' energy: -133.988
flat angles C4'-P-C4' energy: -158.715
flat angles P-C4'-P energy: -108.266
tors. eta vs tors. theta energy: -206.430
Dist. restrs. and SS energy: 12.676 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -2161.981589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.981589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.091820 (E_RNA)
where:
Base-Base interactions energy: -1491.298
where: short stacking energy: -590.790
Base-Backbone interact. energy: -4.966
local terms energy: -677.827534
where:
bonds (distance) C4'-P energy: -127.206
bonds (distance) P-C4' energy: -133.682
flat angles C4'-P-C4' energy: -155.033
flat angles P-C4'-P energy: -94.045
tors. eta vs tors. theta energy: -167.862
Dist. restrs. and SS energy: 12.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -2138.806917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.806917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.412016 (E_RNA)
where:
Base-Base interactions energy: -1510.922
where: short stacking energy: -622.414
Base-Backbone interact. energy: 2.344
local terms energy: -637.834236
where:
bonds (distance) C4'-P energy: -108.115
bonds (distance) P-C4' energy: -126.585
flat angles C4'-P-C4' energy: -140.807
flat angles P-C4'-P energy: -95.232
tors. eta vs tors. theta energy: -167.096
Dist. restrs. and SS energy: 7.605 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -2022.039077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.039077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.677507 (E_RNA)
where:
Base-Base interactions energy: -1448.828
where: short stacking energy: -614.984
Base-Backbone interact. energy: -4.497
local terms energy: -592.352930
where:
bonds (distance) C4'-P energy: -103.024
bonds (distance) P-C4' energy: -81.173
flat angles C4'-P-C4' energy: -148.404
flat angles P-C4'-P energy: -83.350
tors. eta vs tors. theta energy: -176.402
Dist. restrs. and SS energy: 23.638 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -1981.612400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.612400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.197037 (E_RNA)
where:
Base-Base interactions energy: -1411.395
where: short stacking energy: -577.385
Base-Backbone interact. energy: -0.042
local terms energy: -589.759328
where:
bonds (distance) C4'-P energy: -111.603
bonds (distance) P-C4' energy: -103.643
flat angles C4'-P-C4' energy: -126.432
flat angles P-C4'-P energy: -75.686
tors. eta vs tors. theta energy: -172.395
Dist. restrs. and SS energy: 19.585 (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: 8
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -2702.693668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.693668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.400005 (E_RNA)
where:
Base-Base interactions energy: -1894.551
where: short stacking energy: -826.132
Base-Backbone interact. energy: -5.240
local terms energy: -806.609830
where:
bonds (distance) C4'-P energy: -150.807
bonds (distance) P-C4' energy: -146.286
flat angles C4'-P-C4' energy: -163.025
flat angles P-C4'-P energy: -104.903
tors. eta vs tors. theta energy: -241.589
Dist. restrs. and SS energy: 3.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -2652.322262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.322262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.956480 (E_RNA)
where:
Base-Base interactions energy: -1852.175
where: short stacking energy: -787.436
Base-Backbone interact. energy: -4.546
local terms energy: -798.235144
where:
bonds (distance) C4'-P energy: -142.318
bonds (distance) P-C4' energy: -148.847
flat angles C4'-P-C4' energy: -173.361
flat angles P-C4'-P energy: -104.373
tors. eta vs tors. theta energy: -229.336
Dist. restrs. and SS energy: 2.634 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -2619.200598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.200598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.260293 (E_RNA)
where:
Base-Base interactions energy: -1834.279
where: short stacking energy: -775.278
Base-Backbone interact. energy: -1.341
local terms energy: -787.641008
where:
bonds (distance) C4'-P energy: -132.037
bonds (distance) P-C4' energy: -138.816
flat angles C4'-P-C4' energy: -166.383
flat angles P-C4'-P energy: -121.389
tors. eta vs tors. theta energy: -229.015
Dist. restrs. and SS energy: 4.060 (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: 3
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -2541.411928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.411928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.092938 (E_RNA)
where:
Base-Base interactions energy: -1794.653
where: short stacking energy: -767.846
Base-Backbone interact. energy: -2.083
local terms energy: -748.356267
where:
bonds (distance) C4'-P energy: -125.324
bonds (distance) P-C4' energy: -136.645
flat angles C4'-P-C4' energy: -160.859
flat angles P-C4'-P energy: -95.917
tors. eta vs tors. theta energy: -229.611
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: 5
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -2440.258765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.258765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.586620 (E_RNA)
where:
Base-Base interactions energy: -1737.553
where: short stacking energy: -709.930
Base-Backbone interact. energy: -0.649
local terms energy: -711.385538
where:
bonds (distance) C4'-P energy: -119.027
bonds (distance) P-C4' energy: -121.824
flat angles C4'-P-C4' energy: -160.603
flat angles P-C4'-P energy: -100.978
tors. eta vs tors. theta energy: -208.953
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: 6, replica: 1
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -2344.307306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.307306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.975743 (E_RNA)
where:
Base-Base interactions energy: -1637.169
where: short stacking energy: -710.633
Base-Backbone interact. energy: -1.150
local terms energy: -714.656279
where:
bonds (distance) C4'-P energy: -125.468
bonds (distance) P-C4' energy: -117.087
flat angles C4'-P-C4' energy: -160.179
flat angles P-C4'-P energy: -95.014
tors. eta vs tors. theta energy: -216.908
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: 7, replica: 4
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -2210.192103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.192103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.668480 (E_RNA)
where:
Base-Base interactions energy: -1575.525
where: short stacking energy: -642.475
Base-Backbone interact. energy: -2.455
local terms energy: -642.688505
where:
bonds (distance) C4'-P energy: -113.100
bonds (distance) P-C4' energy: -121.171
flat angles C4'-P-C4' energy: -144.112
flat angles P-C4'-P energy: -90.571
tors. eta vs tors. theta energy: -173.734
Dist. restrs. and SS energy: 10.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -2085.629819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.629819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.463041 (E_RNA)
where:
Base-Base interactions energy: -1481.872
where: short stacking energy: -622.193
Base-Backbone interact. energy: -2.934
local terms energy: -618.656676
where:
bonds (distance) C4'-P energy: -121.479
bonds (distance) P-C4' energy: -111.187
flat angles C4'-P-C4' energy: -135.560
flat angles P-C4'-P energy: -70.665
tors. eta vs tors. theta energy: -179.765
Dist. restrs. and SS energy: 17.833 (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: 7
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -1988.557794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.557794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.806280 (E_RNA)
where:
Base-Base interactions energy: -1432.080
where: short stacking energy: -574.268
Base-Backbone interact. energy: -0.990
local terms energy: -584.736014
where:
bonds (distance) C4'-P energy: -107.708
bonds (distance) P-C4' energy: -111.128
flat angles C4'-P-C4' energy: -134.307
flat angles P-C4'-P energy: -67.949
tors. eta vs tors. theta energy: -163.645
Dist. restrs. and SS energy: 29.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -1962.278658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.278658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.046548 (E_RNA)
where:
Base-Base interactions energy: -1383.990
where: short stacking energy: -567.939
Base-Backbone interact. energy: -1.684
local terms energy: -595.372569
where:
bonds (distance) C4'-P energy: -107.551
bonds (distance) P-C4' energy: -111.652
flat angles C4'-P-C4' energy: -135.979
flat angles P-C4'-P energy: -67.293
tors. eta vs tors. theta energy: -172.897
Dist. restrs. and SS energy: 18.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -2732.718864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.718864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.341303 (E_RNA)
where:
Base-Base interactions energy: -1898.071
where: short stacking energy: -832.875
Base-Backbone interact. energy: -2.001
local terms energy: -837.269302
where:
bonds (distance) C4'-P energy: -144.937
bonds (distance) P-C4' energy: -149.240
flat angles C4'-P-C4' energy: -171.179
flat angles P-C4'-P energy: -124.381
tors. eta vs tors. theta energy: -247.532
Dist. restrs. and SS energy: 4.622 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -2651.412202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.412202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.168428 (E_RNA)
where:
Base-Base interactions energy: -1859.042
where: short stacking energy: -809.864
Base-Backbone interact. energy: -1.976
local terms energy: -794.151041
where:
bonds (distance) C4'-P energy: -141.355
bonds (distance) P-C4' energy: -125.918
flat angles C4'-P-C4' energy: -176.206
flat angles P-C4'-P energy: -115.814
tors. eta vs tors. theta energy: -234.858
Dist. restrs. and SS energy: 3.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -2615.690020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.690020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.654295 (E_RNA)
where:
Base-Base interactions energy: -1837.759
where: short stacking energy: -788.543
Base-Backbone interact. energy: 2.449
local terms energy: -784.344393
where:
bonds (distance) C4'-P energy: -137.554
bonds (distance) P-C4' energy: -138.416
flat angles C4'-P-C4' energy: -165.285
flat angles P-C4'-P energy: -106.678
tors. eta vs tors. theta energy: -236.411
Dist. restrs. and SS energy: 3.964 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -2550.744980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.744980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.209971 (E_RNA)
where:
Base-Base interactions energy: -1784.427
where: short stacking energy: -785.872
Base-Backbone interact. energy: -2.077
local terms energy: -768.706347
where:
bonds (distance) C4'-P energy: -136.018
bonds (distance) P-C4' energy: -120.859
flat angles C4'-P-C4' energy: -165.373
flat angles P-C4'-P energy: -113.469
tors. eta vs tors. theta energy: -232.987
Dist. restrs. and SS energy: 4.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -2411.373468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.373468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.301828 (E_RNA)
where:
Base-Base interactions energy: -1733.689
where: short stacking energy: -722.995
Base-Backbone interact. energy: -4.106
local terms energy: -680.506591
where:
bonds (distance) C4'-P energy: -127.240
bonds (distance) P-C4' energy: -122.281
flat angles C4'-P-C4' energy: -134.947
flat angles P-C4'-P energy: -90.779
tors. eta vs tors. theta energy: -205.260
Dist. restrs. and SS energy: 6.928 (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: 1
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -2354.452565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.452565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.071628 (E_RNA)
where:
Base-Base interactions energy: -1652.025
where: short stacking energy: -686.870
Base-Backbone interact. energy: -4.780
local terms energy: -707.266346
where:
bonds (distance) C4'-P energy: -133.705
bonds (distance) P-C4' energy: -125.752
flat angles C4'-P-C4' energy: -150.542
flat angles P-C4'-P energy: -92.100
tors. eta vs tors. theta energy: -205.168
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: 7, replica: 4
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -2194.797502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.797502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.565353 (E_RNA)
where:
Base-Base interactions energy: -1532.456
where: short stacking energy: -631.601
Base-Backbone interact. energy: -0.508
local terms energy: -667.601176
where:
bonds (distance) C4'-P energy: -122.259
bonds (distance) P-C4' energy: -129.985
flat angles C4'-P-C4' energy: -155.688
flat angles P-C4'-P energy: -81.337
tors. eta vs tors. theta energy: -178.332
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: 8, replica: 9
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -2128.729571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.729571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.979874 (E_RNA)
where:
Base-Base interactions energy: -1527.567
where: short stacking energy: -642.102
Base-Backbone interact. energy: 3.036
local terms energy: -616.448796
where:
bonds (distance) C4'-P energy: -100.921
bonds (distance) P-C4' energy: -89.065
flat angles C4'-P-C4' energy: -140.186
flat angles P-C4'-P energy: -104.694
tors. eta vs tors. theta energy: -181.582
Dist. restrs. and SS energy: 12.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -1993.059536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.059536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.094765 (E_RNA)
where:
Base-Base interactions energy: -1432.734
where: short stacking energy: -585.808
Base-Backbone interact. energy: 5.355
local terms energy: -587.715222
where:
bonds (distance) C4'-P energy: -109.240
bonds (distance) P-C4' energy: -106.434
flat angles C4'-P-C4' energy: -145.030
flat angles P-C4'-P energy: -76.760
tors. eta vs tors. theta energy: -150.252
Dist. restrs. and SS energy: 22.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -2013.433355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.433355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.419286 (E_RNA)
where:
Base-Base interactions energy: -1458.137
where: short stacking energy: -618.962
Base-Backbone interact. energy: -2.911
local terms energy: -564.371874
where:
bonds (distance) C4'-P energy: -94.427
bonds (distance) P-C4' energy: -100.152
flat angles C4'-P-C4' energy: -121.653
flat angles P-C4'-P energy: -78.377
tors. eta vs tors. theta energy: -169.763
Dist. restrs. and SS energy: 11.986 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -2724.795310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.795310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.780517 (E_RNA)
where:
Base-Base interactions energy: -1907.327
where: short stacking energy: -818.220
Base-Backbone interact. energy: 0.102
local terms energy: -822.555057
where:
bonds (distance) C4'-P energy: -146.659
bonds (distance) P-C4' energy: -146.709
flat angles C4'-P-C4' energy: -166.427
flat angles P-C4'-P energy: -112.760
tors. eta vs tors. theta energy: -250.000
Dist. restrs. and SS energy: 4.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -2666.606996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.606996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.305955 (E_RNA)
where:
Base-Base interactions energy: -1865.206
where: short stacking energy: -789.779
Base-Backbone interact. energy: -1.620
local terms energy: -803.479811
where:
bonds (distance) C4'-P energy: -135.030
bonds (distance) P-C4' energy: -156.360
flat angles C4'-P-C4' energy: -164.967
flat angles P-C4'-P energy: -114.618
tors. eta vs tors. theta energy: -232.506
Dist. restrs. and SS energy: 3.699 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -2613.092947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.092947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.547685 (E_RNA)
where:
Base-Base interactions energy: -1820.661
where: short stacking energy: -767.925
Base-Backbone interact. energy: -0.632
local terms energy: -794.254990
where:
bonds (distance) C4'-P energy: -143.844
bonds (distance) P-C4' energy: -148.011
flat angles C4'-P-C4' energy: -156.479
flat angles P-C4'-P energy: -112.604
tors. eta vs tors. theta energy: -233.316
Dist. restrs. and SS energy: 2.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -2515.297507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.297507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.148794 (E_RNA)
where:
Base-Base interactions energy: -1801.329
where: short stacking energy: -757.543
Base-Backbone interact. energy: -1.171
local terms energy: -716.647909
where:
bonds (distance) C4'-P energy: -128.174
bonds (distance) P-C4' energy: -117.890
flat angles C4'-P-C4' energy: -152.835
flat angles P-C4'-P energy: -98.579
tors. eta vs tors. theta energy: -219.170
Dist. restrs. and SS energy: 3.851 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -2399.108607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.108607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.863016 (E_RNA)
where:
Base-Base interactions energy: -1689.418
where: short stacking energy: -712.376
Base-Backbone interact. energy: 0.785
local terms energy: -720.230516
where:
bonds (distance) C4'-P energy: -134.835
bonds (distance) P-C4' energy: -124.682
flat angles C4'-P-C4' energy: -155.847
flat angles P-C4'-P energy: -98.846
tors. eta vs tors. theta energy: -206.022
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: 5
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -2359.424959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.424959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.302441 (E_RNA)
where:
Base-Base interactions energy: -1631.057
where: short stacking energy: -682.151
Base-Backbone interact. energy: -1.946
local terms energy: -734.299407
where:
bonds (distance) C4'-P energy: -147.715
bonds (distance) P-C4' energy: -121.940
flat angles C4'-P-C4' energy: -157.336
flat angles P-C4'-P energy: -103.297
tors. eta vs tors. theta energy: -204.012
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: 7, replica: 9
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -2125.605417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.605417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.544770 (E_RNA)
where:
Base-Base interactions energy: -1503.952
where: short stacking energy: -626.743
Base-Backbone interact. energy: 4.299
local terms energy: -638.892356
where:
bonds (distance) C4'-P energy: -119.587
bonds (distance) P-C4' energy: -124.019
flat angles C4'-P-C4' energy: -137.649
flat angles P-C4'-P energy: -84.698
tors. eta vs tors. theta energy: -172.940
Dist. restrs. and SS energy: 12.939 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -2138.172643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.172643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.043786 (E_RNA)
where:
Base-Base interactions energy: -1525.564
where: short stacking energy: -640.132
Base-Backbone interact. energy: 0.625
local terms energy: -627.105595
where:
bonds (distance) C4'-P energy: -107.321
bonds (distance) P-C4' energy: -125.098
flat angles C4'-P-C4' energy: -143.257
flat angles P-C4'-P energy: -91.786
tors. eta vs tors. theta energy: -159.643
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: 9, replica: 6
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -2061.555515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.555515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.679976 (E_RNA)
where:
Base-Base interactions energy: -1480.641
where: short stacking energy: -608.867
Base-Backbone interact. energy: -1.154
local terms energy: -598.885727
where:
bonds (distance) C4'-P energy: -117.711
bonds (distance) P-C4' energy: -97.552
flat angles C4'-P-C4' energy: -138.507
flat angles P-C4'-P energy: -80.335
tors. eta vs tors. theta energy: -164.780
Dist. restrs. and SS energy: 19.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -1927.535580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.535580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.625564 (E_RNA)
where:
Base-Base interactions energy: -1362.707
where: short stacking energy: -580.438
Base-Backbone interact. energy: -0.891
local terms energy: -585.027341
where:
bonds (distance) C4'-P energy: -103.133
bonds (distance) P-C4' energy: -88.343
flat angles C4'-P-C4' energy: -147.321
flat angles P-C4'-P energy: -92.196
tors. eta vs tors. theta energy: -154.034
Dist. restrs. and SS energy: 21.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -2722.368901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.368901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.066741 (E_RNA)
where:
Base-Base interactions energy: -1878.550
where: short stacking energy: -812.931
Base-Backbone interact. energy: -5.279
local terms energy: -842.238207
where:
bonds (distance) C4'-P energy: -139.511
bonds (distance) P-C4' energy: -153.593
flat angles C4'-P-C4' energy: -180.193
flat angles P-C4'-P energy: -125.564
tors. eta vs tors. theta energy: -243.377
Dist. restrs. and SS energy: 3.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -2662.996784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.996784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.022688 (E_RNA)
where:
Base-Base interactions energy: -1885.791
where: short stacking energy: -792.694
Base-Backbone interact. energy: 4.264
local terms energy: -786.495986
where:
bonds (distance) C4'-P energy: -145.253
bonds (distance) P-C4' energy: -140.997
flat angles C4'-P-C4' energy: -160.981
flat angles P-C4'-P energy: -112.471
tors. eta vs tors. theta energy: -226.794
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: 3, replica: 2
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -2599.457020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.457020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.660412 (E_RNA)
where:
Base-Base interactions energy: -1833.065
where: short stacking energy: -759.737
Base-Backbone interact. energy: -3.075
local terms energy: -768.519571
where:
bonds (distance) C4'-P energy: -122.089
bonds (distance) P-C4' energy: -139.765
flat angles C4'-P-C4' energy: -152.779
flat angles P-C4'-P energy: -122.573
tors. eta vs tors. theta energy: -231.313
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: 4, replica: 1
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -2428.902953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.902953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.936821 (E_RNA)
where:
Base-Base interactions energy: -1689.707
where: short stacking energy: -698.977
Base-Backbone interact. energy: -1.484
local terms energy: -746.746294
where:
bonds (distance) C4'-P energy: -127.734
bonds (distance) P-C4' energy: -138.860
flat angles C4'-P-C4' energy: -163.964
flat angles P-C4'-P energy: -118.591
tors. eta vs tors. theta energy: -197.597
Dist. restrs. and SS energy: 9.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -2470.530528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.530528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.931538 (E_RNA)
where:
Base-Base interactions energy: -1755.984
where: short stacking energy: -722.706
Base-Backbone interact. energy: 2.870
local terms energy: -720.817400
where:
bonds (distance) C4'-P energy: -120.888
bonds (distance) P-C4' energy: -130.592
flat angles C4'-P-C4' energy: -156.478
flat angles P-C4'-P energy: -106.027
tors. eta vs tors. theta energy: -206.832
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: 6, replica: 5
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -2370.853786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.853786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.423315 (E_RNA)
where:
Base-Base interactions energy: -1680.474
where: short stacking energy: -698.512
Base-Backbone interact. energy: -1.624
local terms energy: -694.325791
where:
bonds (distance) C4'-P energy: -131.716
bonds (distance) P-C4' energy: -125.747
flat angles C4'-P-C4' energy: -143.560
flat angles P-C4'-P energy: -94.383
tors. eta vs tors. theta energy: -198.921
Dist. restrs. and SS energy: 5.570 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -2196.152330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.152330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.187465 (E_RNA)
where:
Base-Base interactions energy: -1538.773
where: short stacking energy: -640.105
Base-Backbone interact. energy: -2.689
local terms energy: -662.724956
where:
bonds (distance) C4'-P energy: -115.706
bonds (distance) P-C4' energy: -122.285
flat angles C4'-P-C4' energy: -146.407
flat angles P-C4'-P energy: -93.763
tors. eta vs tors. theta energy: -184.564
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: 8, replica: 4
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -2123.215415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.215415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.540549 (E_RNA)
where:
Base-Base interactions energy: -1476.132
where: short stacking energy: -576.534
Base-Backbone interact. energy: -1.992
local terms energy: -654.417003
where:
bonds (distance) C4'-P energy: -147.245
bonds (distance) P-C4' energy: -114.676
flat angles C4'-P-C4' energy: -132.698
flat angles P-C4'-P energy: -86.467
tors. eta vs tors. theta energy: -173.331
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: 9, replica: 6
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -2047.681064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.681064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.244890 (E_RNA)
where:
Base-Base interactions energy: -1453.503
where: short stacking energy: -614.035
Base-Backbone interact. energy: -1.357
local terms energy: -607.385162
where:
bonds (distance) C4'-P energy: -106.111
bonds (distance) P-C4' energy: -110.210
flat angles C4'-P-C4' energy: -139.877
flat angles P-C4'-P energy: -77.418
tors. eta vs tors. theta energy: -173.768
Dist. restrs. and SS energy: 14.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -1893.448215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.448215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.063160 (E_RNA)
where:
Base-Base interactions energy: -1345.396
where: short stacking energy: -539.602
Base-Backbone interact. energy: -0.828
local terms energy: -563.839385
where:
bonds (distance) C4'-P energy: -80.191
bonds (distance) P-C4' energy: -115.073
flat angles C4'-P-C4' energy: -140.270
flat angles P-C4'-P energy: -74.812
tors. eta vs tors. theta energy: -153.494
Dist. restrs. and SS energy: 16.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -2733.147858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.147858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.712806 (E_RNA)
where:
Base-Base interactions energy: -1922.636
where: short stacking energy: -831.611
Base-Backbone interact. energy: -0.469
local terms energy: -812.607772
where:
bonds (distance) C4'-P energy: -138.706
bonds (distance) P-C4' energy: -149.387
flat angles C4'-P-C4' energy: -163.502
flat angles P-C4'-P energy: -121.457
tors. eta vs tors. theta energy: -239.556
Dist. restrs. and SS energy: 2.565 (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: 10
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -2682.740784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.740784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.054893 (E_RNA)
where:
Base-Base interactions energy: -1881.864
where: short stacking energy: -788.255
Base-Backbone interact. energy: -3.217
local terms energy: -801.973302
where:
bonds (distance) C4'-P energy: -136.815
bonds (distance) P-C4' energy: -144.330
flat angles C4'-P-C4' energy: -172.282
flat angles P-C4'-P energy: -106.063
tors. eta vs tors. theta energy: -242.482
Dist. restrs. and SS energy: 4.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -2610.070073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.070073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.201433 (E_RNA)
where:
Base-Base interactions energy: -1858.356
where: short stacking energy: -797.000
Base-Backbone interact. energy: -0.548
local terms energy: -755.298141
where:
bonds (distance) C4'-P energy: -111.727
bonds (distance) P-C4' energy: -135.197
flat angles C4'-P-C4' energy: -174.361
flat angles P-C4'-P energy: -105.603
tors. eta vs tors. theta energy: -228.410
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: 4, replica: 1
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -2483.403810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.403810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.033806 (E_RNA)
where:
Base-Base interactions energy: -1750.304
where: short stacking energy: -726.101
Base-Backbone interact. energy: -0.549
local terms energy: -745.181163
where:
bonds (distance) C4'-P energy: -141.338
bonds (distance) P-C4' energy: -138.850
flat angles C4'-P-C4' energy: -161.186
flat angles P-C4'-P energy: -93.990
tors. eta vs tors. theta energy: -209.817
Dist. restrs. and SS energy: 12.630 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -2492.970575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.970575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.347589 (E_RNA)
where:
Base-Base interactions energy: -1727.631
where: short stacking energy: -736.126
Base-Backbone interact. energy: -2.241
local terms energy: -766.475894
where:
bonds (distance) C4'-P energy: -127.646
bonds (distance) P-C4' energy: -143.523
flat angles C4'-P-C4' energy: -167.178
flat angles P-C4'-P energy: -105.279
tors. eta vs tors. theta energy: -222.850
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: 6, replica: 5
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -2381.206765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.206765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.442537 (E_RNA)
where:
Base-Base interactions energy: -1710.588
where: short stacking energy: -707.137
Base-Backbone interact. energy: 2.211
local terms energy: -681.064867
where:
bonds (distance) C4'-P energy: -113.167
bonds (distance) P-C4' energy: -125.914
flat angles C4'-P-C4' energy: -152.245
flat angles P-C4'-P energy: -87.276
tors. eta vs tors. theta energy: -202.464
Dist. restrs. and SS energy: 8.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -2189.764433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.764433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.274611 (E_RNA)
where:
Base-Base interactions energy: -1563.216
where: short stacking energy: -626.902
Base-Backbone interact. energy: 0.486
local terms energy: -641.544434
where:
bonds (distance) C4'-P energy: -116.168
bonds (distance) P-C4' energy: -127.893
flat angles C4'-P-C4' energy: -147.144
flat angles P-C4'-P energy: -81.309
tors. eta vs tors. theta energy: -169.032
Dist. restrs. and SS energy: 14.510 (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: 188
Temperature: 1.250000
Total energy: -2130.489694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.489694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.885488 (E_RNA)
where:
Base-Base interactions energy: -1496.883
where: short stacking energy: -630.767
Base-Backbone interact. energy: -0.729
local terms energy: -651.273758
where:
bonds (distance) C4'-P energy: -114.169
bonds (distance) P-C4' energy: -108.058
flat angles C4'-P-C4' energy: -147.909
flat angles P-C4'-P energy: -87.078
tors. eta vs tors. theta energy: -194.061
Dist. restrs. and SS energy: 18.396 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -2049.641633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.641633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.862736 (E_RNA)
where:
Base-Base interactions energy: -1448.903
where: short stacking energy: -592.870
Base-Backbone interact. energy: -0.841
local terms energy: -609.118327
where:
bonds (distance) C4'-P energy: -114.592
bonds (distance) P-C4' energy: -114.897
flat angles C4'-P-C4' energy: -139.126
flat angles P-C4'-P energy: -73.627
tors. eta vs tors. theta energy: -166.876
Dist. restrs. and SS energy: 9.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -1948.609743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.609743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.790853 (E_RNA)
where:
Base-Base interactions energy: -1384.732
where: short stacking energy: -565.777
Base-Backbone interact. energy: 0.958
local terms energy: -587.017095
where:
bonds (distance) C4'-P energy: -105.016
bonds (distance) P-C4' energy: -123.429
flat angles C4'-P-C4' energy: -136.241
flat angles P-C4'-P energy: -76.826
tors. eta vs tors. theta energy: -145.505
Dist. restrs. and SS energy: 22.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -2771.111527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2771.111527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.468972 (E_RNA)
where:
Base-Base interactions energy: -1950.391
where: short stacking energy: -854.683
Base-Backbone interact. energy: -4.410
local terms energy: -819.667980
where:
bonds (distance) C4'-P energy: -143.264
bonds (distance) P-C4' energy: -141.111
flat angles C4'-P-C4' energy: -167.486
flat angles P-C4'-P energy: -116.131
tors. eta vs tors. theta energy: -251.675
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: 2, replica: 10
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -2700.826112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.826112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.623689 (E_RNA)
where:
Base-Base interactions energy: -1882.446
where: short stacking energy: -797.360
Base-Backbone interact. energy: 1.089
local terms energy: -822.266505
where:
bonds (distance) C4'-P energy: -140.644
bonds (distance) P-C4' energy: -147.423
flat angles C4'-P-C4' energy: -180.421
flat angles P-C4'-P energy: -113.903
tors. eta vs tors. theta energy: -239.875
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: 2
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -2615.264737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.264737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.064825 (E_RNA)
where:
Base-Base interactions energy: -1862.193
where: short stacking energy: -792.648
Base-Backbone interact. energy: 0.821
local terms energy: -757.693172
where:
bonds (distance) C4'-P energy: -124.121
bonds (distance) P-C4' energy: -136.135
flat angles C4'-P-C4' energy: -157.400
flat angles P-C4'-P energy: -114.417
tors. eta vs tors. theta energy: -225.620
Dist. restrs. and SS energy: 3.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -2498.547211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.547211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.848400 (E_RNA)
where:
Base-Base interactions energy: -1748.287
where: short stacking energy: -737.199
Base-Backbone interact. energy: -3.339
local terms energy: -754.222718
where:
bonds (distance) C4'-P energy: -148.003
bonds (distance) P-C4' energy: -127.004
flat angles C4'-P-C4' energy: -155.242
flat angles P-C4'-P energy: -104.131
tors. eta vs tors. theta energy: -219.842
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: 5, replica: 3
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -2470.725131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.725131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.858742 (E_RNA)
where:
Base-Base interactions energy: -1742.013
where: short stacking energy: -747.691
Base-Backbone interact. energy: 3.693
local terms energy: -737.538339
where:
bonds (distance) C4'-P energy: -114.242
bonds (distance) P-C4' energy: -133.537
flat angles C4'-P-C4' energy: -159.500
flat angles P-C4'-P energy: -105.956
tors. eta vs tors. theta energy: -224.304
Dist. restrs. and SS energy: 5.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -2350.113384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.113384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.042576 (E_RNA)
where:
Base-Base interactions energy: -1638.477
where: short stacking energy: -683.982
Base-Backbone interact. energy: 1.736
local terms energy: -726.301197
where:
bonds (distance) C4'-P energy: -139.556
bonds (distance) P-C4' energy: -134.033
flat angles C4'-P-C4' energy: -147.339
flat angles P-C4'-P energy: -92.384
tors. eta vs tors. theta energy: -212.989
Dist. restrs. and SS energy: 12.929 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -2207.628218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.628218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.968288 (E_RNA)
where:
Base-Base interactions energy: -1568.095
where: short stacking energy: -634.071
Base-Backbone interact. energy: -2.875
local terms energy: -644.998274
where:
bonds (distance) C4'-P energy: -130.942
bonds (distance) P-C4' energy: -120.073
flat angles C4'-P-C4' energy: -123.576
flat angles P-C4'-P energy: -82.891
tors. eta vs tors. theta energy: -187.516
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: 6
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -2140.977683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.977683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.415662 (E_RNA)
where:
Base-Base interactions energy: -1525.647
where: short stacking energy: -625.467
Base-Backbone interact. energy: -3.282
local terms energy: -622.486813
where:
bonds (distance) C4'-P energy: -97.222
bonds (distance) P-C4' energy: -112.982
flat angles C4'-P-C4' energy: -147.191
flat angles P-C4'-P energy: -82.066
tors. eta vs tors. theta energy: -183.026
Dist. restrs. and SS energy: 10.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -2008.486394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.486394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.478133 (E_RNA)
where:
Base-Base interactions energy: -1431.893
where: short stacking energy: -580.398
Base-Backbone interact. energy: -2.500
local terms energy: -596.085101
where:
bonds (distance) C4'-P energy: -107.202
bonds (distance) P-C4' energy: -116.188
flat angles C4'-P-C4' energy: -129.260
flat angles P-C4'-P energy: -70.517
tors. eta vs tors. theta energy: -172.918
Dist. restrs. and SS energy: 21.992 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -1964.859880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.859880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.080860 (E_RNA)
where:
Base-Base interactions energy: -1424.797
where: short stacking energy: -575.116
Base-Backbone interact. energy: -2.111
local terms energy: -552.172642
where:
bonds (distance) C4'-P energy: -104.062
bonds (distance) P-C4' energy: -113.686
flat angles C4'-P-C4' energy: -99.787
flat angles P-C4'-P energy: -79.416
tors. eta vs tors. theta energy: -155.221
Dist. restrs. and SS energy: 14.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -2756.008622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.008622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2759.719242 (E_RNA)
where:
Base-Base interactions energy: -1912.209
where: short stacking energy: -812.873
Base-Backbone interact. energy: -4.018
local terms energy: -843.492725
where:
bonds (distance) C4'-P energy: -164.396
bonds (distance) P-C4' energy: -134.977
flat angles C4'-P-C4' energy: -171.579
flat angles P-C4'-P energy: -120.870
tors. eta vs tors. theta energy: -251.672
Dist. restrs. and SS energy: 3.711 (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: 10
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -2686.101956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.101956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.046651 (E_RNA)
where:
Base-Base interactions energy: -1895.584
where: short stacking energy: -809.834
Base-Backbone interact. energy: -0.501
local terms energy: -792.960914
where:
bonds (distance) C4'-P energy: -131.709
bonds (distance) P-C4' energy: -128.075
flat angles C4'-P-C4' energy: -178.253
flat angles P-C4'-P energy: -117.273
tors. eta vs tors. theta energy: -237.652
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: 3, replica: 2
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -2592.985028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.985028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.724393 (E_RNA)
where:
Base-Base interactions energy: -1828.563
where: short stacking energy: -752.109
Base-Backbone interact. energy: 0.530
local terms energy: -766.691589
where:
bonds (distance) C4'-P energy: -130.680
bonds (distance) P-C4' energy: -134.744
flat angles C4'-P-C4' energy: -173.476
flat angles P-C4'-P energy: -101.282
tors. eta vs tors. theta energy: -226.510
Dist. restrs. and SS energy: 1.739 (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: 1
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -2467.310082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.310082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.009237 (E_RNA)
where:
Base-Base interactions energy: -1711.576
where: short stacking energy: -732.352
Base-Backbone interact. energy: -2.717
local terms energy: -757.715479
where:
bonds (distance) C4'-P energy: -136.812
bonds (distance) P-C4' energy: -133.311
flat angles C4'-P-C4' energy: -161.444
flat angles P-C4'-P energy: -97.341
tors. eta vs tors. theta energy: -228.808
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: 5, replica: 3
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -2464.980088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.980088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.257089 (E_RNA)
where:
Base-Base interactions energy: -1750.038
where: short stacking energy: -734.228
Base-Backbone interact. energy: -1.568
local terms energy: -721.650187
where:
bonds (distance) C4'-P energy: -145.483
bonds (distance) P-C4' energy: -112.547
flat angles C4'-P-C4' energy: -148.893
flat angles P-C4'-P energy: -96.380
tors. eta vs tors. theta energy: -218.347
Dist. restrs. and SS energy: 8.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -2382.707382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.707382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.197732 (E_RNA)
where:
Base-Base interactions energy: -1687.138
where: short stacking energy: -701.503
Base-Backbone interact. energy: -2.757
local terms energy: -700.303293
where:
bonds (distance) C4'-P energy: -111.088
bonds (distance) P-C4' energy: -133.188
flat angles C4'-P-C4' energy: -154.052
flat angles P-C4'-P energy: -93.931
tors. eta vs tors. theta energy: -208.044
Dist. restrs. and SS energy: 7.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -2220.010583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.010583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.293125 (E_RNA)
where:
Base-Base interactions energy: -1562.760
where: short stacking energy: -662.582
Base-Backbone interact. energy: -0.333
local terms energy: -667.199905
where:
bonds (distance) C4'-P energy: -108.722
bonds (distance) P-C4' energy: -137.263
flat angles C4'-P-C4' energy: -148.265
flat angles P-C4'-P energy: -87.595
tors. eta vs tors. theta energy: -185.356
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: 8, replica: 6
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -2172.108621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.108621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.594990 (E_RNA)
where:
Base-Base interactions energy: -1557.828
where: short stacking energy: -642.520
Base-Backbone interact. energy: -3.360
local terms energy: -624.406630
where:
bonds (distance) C4'-P energy: -93.152
bonds (distance) P-C4' energy: -125.694
flat angles C4'-P-C4' energy: -145.837
flat angles P-C4'-P energy: -77.506
tors. eta vs tors. theta energy: -182.218
Dist. restrs. and SS energy: 13.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -2052.793995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.793995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.822463 (E_RNA)
where:
Base-Base interactions energy: -1445.986
where: short stacking energy: -587.216
Base-Backbone interact. energy: -0.477
local terms energy: -622.359447
where:
bonds (distance) C4'-P energy: -126.749
bonds (distance) P-C4' energy: -101.697
flat angles C4'-P-C4' energy: -144.479
flat angles P-C4'-P energy: -75.431
tors. eta vs tors. theta energy: -174.004
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: 10, replica: 7
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -1938.813469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.813469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.950698 (E_RNA)
where:
Base-Base interactions energy: -1343.850
where: short stacking energy: -555.049
Base-Backbone interact. energy: -3.882
local terms energy: -613.218752
where:
bonds (distance) C4'-P energy: -119.987
bonds (distance) P-C4' energy: -114.358
flat angles C4'-P-C4' energy: -144.469
flat angles P-C4'-P energy: -70.833
tors. eta vs tors. theta energy: -163.572
Dist. restrs. and SS energy: 22.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -2744.036915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2744.036915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.632561 (E_RNA)
where:
Base-Base interactions energy: -1900.893
where: short stacking energy: -820.365
Base-Backbone interact. energy: 3.466
local terms energy: -848.205434
where:
bonds (distance) C4'-P energy: -144.491
bonds (distance) P-C4' energy: -151.792
flat angles C4'-P-C4' energy: -183.297
flat angles P-C4'-P energy: -125.737
tors. eta vs tors. theta energy: -242.889
Dist. restrs. and SS energy: 1.596 (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: 10
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -2664.901981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.901981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.009296 (E_RNA)
where:
Base-Base interactions energy: -1850.745
where: short stacking energy: -780.929
Base-Backbone interact. energy: -1.251
local terms energy: -818.013828
where:
bonds (distance) C4'-P energy: -137.470
bonds (distance) P-C4' energy: -155.449
flat angles C4'-P-C4' energy: -175.950
flat angles P-C4'-P energy: -113.437
tors. eta vs tors. theta energy: -235.708
Dist. restrs. and SS energy: 5.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -2610.659317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.659317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.192545 (E_RNA)
where:
Base-Base interactions energy: -1844.227
where: short stacking energy: -770.958
Base-Backbone interact. energy: 0.038
local terms energy: -771.002679
where:
bonds (distance) C4'-P energy: -126.390
bonds (distance) P-C4' energy: -141.079
flat angles C4'-P-C4' energy: -163.648
flat angles P-C4'-P energy: -107.428
tors. eta vs tors. theta energy: -232.458
Dist. restrs. and SS energy: 4.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -2484.290581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.290581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.426652 (E_RNA)
where:
Base-Base interactions energy: -1749.783
where: short stacking energy: -744.599
Base-Backbone interact. energy: 1.983
local terms energy: -741.625977
where:
bonds (distance) C4'-P energy: -137.393
bonds (distance) P-C4' energy: -117.393
flat angles C4'-P-C4' energy: -157.129
flat angles P-C4'-P energy: -110.137
tors. eta vs tors. theta energy: -219.575
Dist. restrs. and SS energy: 5.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -2466.145175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.145175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.899327 (E_RNA)
where:
Base-Base interactions energy: -1723.204
where: short stacking energy: -746.277
Base-Backbone interact. energy: -4.538
local terms energy: -742.157337
where:
bonds (distance) C4'-P energy: -137.499
bonds (distance) P-C4' energy: -115.850
flat angles C4'-P-C4' energy: -143.167
flat angles P-C4'-P energy: -113.853
tors. eta vs tors. theta energy: -231.788
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: 6, replica: 5
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -2361.696492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.696492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.742525 (E_RNA)
where:
Base-Base interactions energy: -1631.998
where: short stacking energy: -686.442
Base-Backbone interact. energy: -3.009
local terms energy: -735.735338
where:
bonds (distance) C4'-P energy: -131.310
bonds (distance) P-C4' energy: -145.750
flat angles C4'-P-C4' energy: -151.409
flat angles P-C4'-P energy: -104.217
tors. eta vs tors. theta energy: -203.049
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: 7, replica: 4
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -2176.569626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.569626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.484045 (E_RNA)
where:
Base-Base interactions energy: -1541.735
where: short stacking energy: -661.138
Base-Backbone interact. energy: -2.185
local terms energy: -650.563964
where:
bonds (distance) C4'-P energy: -110.300
bonds (distance) P-C4' energy: -114.597
flat angles C4'-P-C4' energy: -149.067
flat angles P-C4'-P energy: -96.768
tors. eta vs tors. theta energy: -179.833
Dist. restrs. and SS energy: 17.914 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -2170.219993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.219993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.183602 (E_RNA)
where:
Base-Base interactions energy: -1498.314
where: short stacking energy: -626.464
Base-Backbone interact. energy: 5.739
local terms energy: -686.608647
where:
bonds (distance) C4'-P energy: -128.231
bonds (distance) P-C4' energy: -129.968
flat angles C4'-P-C4' energy: -153.507
flat angles P-C4'-P energy: -83.438
tors. eta vs tors. theta energy: -191.465
Dist. restrs. and SS energy: 8.964 (S_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: -1982.274138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.274138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.982871 (E_RNA)
where:
Base-Base interactions energy: -1393.323
where: short stacking energy: -603.693
Base-Backbone interact. energy: -2.627
local terms energy: -605.033060
where:
bonds (distance) C4'-P energy: -117.785
bonds (distance) P-C4' energy: -118.879
flat angles C4'-P-C4' energy: -117.182
flat angles P-C4'-P energy: -77.123
tors. eta vs tors. theta energy: -174.064
Dist. restrs. and SS energy: 18.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -1909.635107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.635107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.919440 (E_RNA)
where:
Base-Base interactions energy: -1354.368
where: short stacking energy: -544.361
Base-Backbone interact. energy: 0.828
local terms energy: -578.378915
where:
bonds (distance) C4'-P energy: -108.759
bonds (distance) P-C4' energy: -87.738
flat angles C4'-P-C4' energy: -135.849
flat angles P-C4'-P energy: -83.627
tors. eta vs tors. theta energy: -162.405
Dist. restrs. and SS energy: 22.284 (S_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: -2734.254498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.254498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.598568 (E_RNA)
where:
Base-Base interactions energy: -1874.772
where: short stacking energy: -807.998
Base-Backbone interact. energy: -0.696
local terms energy: -863.130932
where:
bonds (distance) C4'-P energy: -153.783
bonds (distance) P-C4' energy: -157.100
flat angles C4'-P-C4' energy: -175.734
flat angles P-C4'-P energy: -129.641
tors. eta vs tors. theta energy: -246.874
Dist. restrs. and SS energy: 4.344 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -2664.267937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.267937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.800994 (E_RNA)
where:
Base-Base interactions energy: -1867.288
where: short stacking energy: -798.454
Base-Backbone interact. energy: -3.529
local terms energy: -795.984340
where:
bonds (distance) C4'-P energy: -131.147
bonds (distance) P-C4' energy: -146.581
flat angles C4'-P-C4' energy: -165.254
flat angles P-C4'-P energy: -113.386
tors. eta vs tors. theta energy: -239.616
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: 3, replica: 2
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -2635.319923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.319923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.087259 (E_RNA)
where:
Base-Base interactions energy: -1871.717
where: short stacking energy: -797.301
Base-Backbone interact. energy: 2.335
local terms energy: -768.705605
where:
bonds (distance) C4'-P energy: -134.726
bonds (distance) P-C4' energy: -126.581
flat angles C4'-P-C4' energy: -170.332
flat angles P-C4'-P energy: -101.417
tors. eta vs tors. theta energy: -235.651
Dist. restrs. and SS energy: 2.767 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -2482.103976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.103976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.976113 (E_RNA)
where:
Base-Base interactions energy: -1715.851
where: short stacking energy: -757.010
Base-Backbone interact. energy: -2.108
local terms energy: -774.017770
where:
bonds (distance) C4'-P energy: -143.558
bonds (distance) P-C4' energy: -131.760
flat angles C4'-P-C4' energy: -169.538
flat angles P-C4'-P energy: -103.932
tors. eta vs tors. theta energy: -225.230
Dist. restrs. and SS energy: 9.872 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -2415.786723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.786723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.490916 (E_RNA)
where:
Base-Base interactions energy: -1699.571
where: short stacking energy: -715.901
Base-Backbone interact. energy: -3.728
local terms energy: -719.191554
where:
bonds (distance) C4'-P energy: -127.591
bonds (distance) P-C4' energy: -120.132
flat angles C4'-P-C4' energy: -149.504
flat angles P-C4'-P energy: -106.237
tors. eta vs tors. theta energy: -215.727
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: 6, replica: 3
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -2385.963627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.963627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.197011 (E_RNA)
where:
Base-Base interactions energy: -1666.736
where: short stacking energy: -705.838
Base-Backbone interact. energy: -1.483
local terms energy: -721.978325
where:
bonds (distance) C4'-P energy: -136.781
bonds (distance) P-C4' energy: -125.805
flat angles C4'-P-C4' energy: -145.853
flat angles P-C4'-P energy: -94.499
tors. eta vs tors. theta energy: -219.041
Dist. restrs. and SS energy: 4.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -2281.678695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.678695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.974882 (E_RNA)
where:
Base-Base interactions energy: -1597.428
where: short stacking energy: -678.394
Base-Backbone interact. energy: -1.946
local terms energy: -693.601014
where:
bonds (distance) C4'-P energy: -120.093
bonds (distance) P-C4' energy: -123.824
flat angles C4'-P-C4' energy: -149.502
flat angles P-C4'-P energy: -103.227
tors. eta vs tors. theta energy: -196.955
Dist. restrs. and SS energy: 11.296 (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: 192
Temperature: 1.250000
Total energy: -2108.185794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.185794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.345394 (E_RNA)
where:
Base-Base interactions energy: -1470.430
where: short stacking energy: -612.942
Base-Backbone interact. energy: -3.022
local terms energy: -645.893982
where:
bonds (distance) C4'-P energy: -105.494
bonds (distance) P-C4' energy: -125.996
flat angles C4'-P-C4' energy: -148.625
flat angles P-C4'-P energy: -88.925
tors. eta vs tors. theta energy: -176.854
Dist. restrs. and SS energy: 11.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -1998.681423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.681423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.797325 (E_RNA)
where:
Base-Base interactions energy: -1433.877
where: short stacking energy: -626.440
Base-Backbone interact. energy: 1.036
local terms energy: -584.955832
where:
bonds (distance) C4'-P energy: -106.196
bonds (distance) P-C4' energy: -91.194
flat angles C4'-P-C4' energy: -122.432
flat angles P-C4'-P energy: -82.320
tors. eta vs tors. theta energy: -182.814
Dist. restrs. and SS energy: 19.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -1897.620953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.620953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.054256 (E_RNA)
where:
Base-Base interactions energy: -1321.624
where: short stacking energy: -536.484
Base-Backbone interact. energy: -2.833
local terms energy: -592.597354
where:
bonds (distance) C4'-P energy: -113.736
bonds (distance) P-C4' energy: -123.203
flat angles C4'-P-C4' energy: -114.644
flat angles P-C4'-P energy: -83.525
tors. eta vs tors. theta energy: -157.490
Dist. restrs. and SS energy: 19.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -2735.760503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.760503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.937980 (E_RNA)
where:
Base-Base interactions energy: -1893.352
where: short stacking energy: -807.422
Base-Backbone interact. energy: -2.818
local terms energy: -846.767340
where:
bonds (distance) C4'-P energy: -156.484
bonds (distance) P-C4' energy: -155.855
flat angles C4'-P-C4' energy: -177.256
flat angles P-C4'-P energy: -117.521
tors. eta vs tors. theta energy: -239.652
Dist. restrs. and SS energy: 7.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -2649.078248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.078248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.354988 (E_RNA)
where:
Base-Base interactions energy: -1854.858
where: short stacking energy: -775.619
Base-Backbone interact. energy: -2.545
local terms energy: -794.951059
where:
bonds (distance) C4'-P energy: -143.537
bonds (distance) P-C4' energy: -148.527
flat angles C4'-P-C4' energy: -159.161
flat angles P-C4'-P energy: -109.603
tors. eta vs tors. theta energy: -234.122
Dist. restrs. and SS energy: 3.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -2626.666816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.666816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.572127 (E_RNA)
where:
Base-Base interactions energy: -1872.407
where: short stacking energy: -816.692
Base-Backbone interact. energy: 2.654
local terms energy: -759.819529
where:
bonds (distance) C4'-P energy: -129.280
bonds (distance) P-C4' energy: -120.626
flat angles C4'-P-C4' energy: -160.150
flat angles P-C4'-P energy: -104.885
tors. eta vs tors. theta energy: -244.879
Dist. restrs. and SS energy: 2.905 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -2480.522118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.522118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.515707 (E_RNA)
where:
Base-Base interactions energy: -1713.590
where: short stacking energy: -738.032
Base-Backbone interact. energy: -4.970
local terms energy: -766.954946
where:
bonds (distance) C4'-P energy: -132.334
bonds (distance) P-C4' energy: -142.806
flat angles C4'-P-C4' energy: -161.886
flat angles P-C4'-P energy: -104.313
tors. eta vs tors. theta energy: -225.616
Dist. restrs. and SS energy: 4.994 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -2422.995091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.995091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.464926 (E_RNA)
where:
Base-Base interactions energy: -1717.335
where: short stacking energy: -740.871
Base-Backbone interact. energy: -0.298
local terms energy: -712.831914
where:
bonds (distance) C4'-P energy: -130.306
bonds (distance) P-C4' energy: -132.013
flat angles C4'-P-C4' energy: -127.523
flat angles P-C4'-P energy: -101.140
tors. eta vs tors. theta energy: -221.850
Dist. restrs. and SS energy: 7.470 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -2408.157619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.157619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.999626 (E_RNA)
where:
Base-Base interactions energy: -1698.374
where: short stacking energy: -697.429
Base-Backbone interact. energy: 0.059
local terms energy: -713.685167
where:
bonds (distance) C4'-P energy: -138.573
bonds (distance) P-C4' energy: -122.976
flat angles C4'-P-C4' energy: -159.939
flat angles P-C4'-P energy: -76.771
tors. eta vs tors. theta energy: -215.425
Dist. restrs. and SS energy: 3.842 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -2246.598902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.598902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.336268 (E_RNA)
where:
Base-Base interactions energy: -1567.147
where: short stacking energy: -662.605
Base-Backbone interact. energy: -4.093
local terms energy: -687.096515
where:
bonds (distance) C4'-P energy: -122.583
bonds (distance) P-C4' energy: -129.073
flat angles C4'-P-C4' energy: -152.761
flat angles P-C4'-P energy: -84.010
tors. eta vs tors. theta energy: -198.670
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: 4
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -2136.651691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.651691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.032430 (E_RNA)
where:
Base-Base interactions energy: -1505.599
where: short stacking energy: -613.558
Base-Backbone interact. energy: -4.335
local terms energy: -637.098365
where:
bonds (distance) C4'-P energy: -103.232
bonds (distance) P-C4' energy: -123.622
flat angles C4'-P-C4' energy: -141.601
flat angles P-C4'-P energy: -95.174
tors. eta vs tors. theta energy: -173.469
Dist. restrs. and SS energy: 10.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -2007.955157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.955157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.711293 (E_RNA)
where:
Base-Base interactions energy: -1413.552
where: short stacking energy: -583.258
Base-Backbone interact. energy: 1.393
local terms energy: -609.552288
where:
bonds (distance) C4'-P energy: -114.745
bonds (distance) P-C4' energy: -119.223
flat angles C4'-P-C4' energy: -121.676
flat angles P-C4'-P energy: -87.053
tors. eta vs tors. theta energy: -166.855
Dist. restrs. and SS energy: 13.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -1949.473029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.473029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.221946 (E_RNA)
where:
Base-Base interactions energy: -1391.747
where: short stacking energy: -561.125
Base-Backbone interact. energy: -0.153
local terms energy: -584.322768
where:
bonds (distance) C4'-P energy: -106.848
bonds (distance) P-C4' energy: -107.702
flat angles C4'-P-C4' energy: -135.948
flat angles P-C4'-P energy: -74.212
tors. eta vs tors. theta energy: -159.613
Dist. restrs. and SS energy: 26.749 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -2715.080335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.080335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.305427 (E_RNA)
where:
Base-Base interactions energy: -1896.909
where: short stacking energy: -813.150
Base-Backbone interact. energy: -4.822
local terms energy: -817.574776
where:
bonds (distance) C4'-P energy: -145.871
bonds (distance) P-C4' energy: -140.278
flat angles C4'-P-C4' energy: -165.617
flat angles P-C4'-P energy: -125.247
tors. eta vs tors. theta energy: -240.562
Dist. restrs. and SS energy: 4.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -2680.838020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.838020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.988558 (E_RNA)
where:
Base-Base interactions energy: -1872.443
where: short stacking energy: -783.224
Base-Backbone interact. energy: -4.201
local terms energy: -811.345035
where:
bonds (distance) C4'-P energy: -138.481
bonds (distance) P-C4' energy: -139.565
flat angles C4'-P-C4' energy: -174.636
flat angles P-C4'-P energy: -126.311
tors. eta vs tors. theta energy: -232.352
Dist. restrs. and SS energy: 7.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -2591.123802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.123802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.027885 (E_RNA)
where:
Base-Base interactions energy: -1801.298
where: short stacking energy: -777.739
Base-Backbone interact. energy: 1.854
local terms energy: -797.583571
where:
bonds (distance) C4'-P energy: -143.024
bonds (distance) P-C4' energy: -136.989
flat angles C4'-P-C4' energy: -172.137
flat angles P-C4'-P energy: -112.142
tors. eta vs tors. theta energy: -233.291
Dist. restrs. and SS energy: 5.904 (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: 1
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -2495.892766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.892766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.680834 (E_RNA)
where:
Base-Base interactions energy: -1761.725
where: short stacking energy: -729.414
Base-Backbone interact. energy: -2.774
local terms energy: -739.181969
where:
bonds (distance) C4'-P energy: -138.013
bonds (distance) P-C4' energy: -141.509
flat angles C4'-P-C4' energy: -150.667
flat angles P-C4'-P energy: -98.945
tors. eta vs tors. theta energy: -210.048
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: 5, replica: 3
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -2484.071516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.071516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.734497 (E_RNA)
where:
Base-Base interactions energy: -1735.910
where: short stacking energy: -742.594
Base-Backbone interact. energy: -2.116
local terms energy: -752.707913
where:
bonds (distance) C4'-P energy: -110.474
bonds (distance) P-C4' energy: -123.711
flat angles C4'-P-C4' energy: -168.706
flat angles P-C4'-P energy: -120.457
tors. eta vs tors. theta energy: -229.360
Dist. restrs. and SS energy: 6.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -2309.735462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.735462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.005585 (E_RNA)
where:
Base-Base interactions energy: -1643.921
where: short stacking energy: -671.060
Base-Backbone interact. energy: 2.252
local terms energy: -679.336233
where:
bonds (distance) C4'-P energy: -109.603
bonds (distance) P-C4' energy: -125.937
flat angles C4'-P-C4' energy: -152.046
flat angles P-C4'-P energy: -90.737
tors. eta vs tors. theta energy: -201.014
Dist. restrs. and SS energy: 11.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -2271.935286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.935286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.213717 (E_RNA)
where:
Base-Base interactions energy: -1590.392
where: short stacking energy: -647.780
Base-Backbone interact. energy: 1.408
local terms energy: -692.228995
where:
bonds (distance) C4'-P energy: -121.715
bonds (distance) P-C4' energy: -132.354
flat angles C4'-P-C4' energy: -158.756
flat angles P-C4'-P energy: -92.047
tors. eta vs tors. theta energy: -187.356
Dist. restrs. and SS energy: 9.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -2166.604265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.604265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.745227 (E_RNA)
where:
Base-Base interactions energy: -1523.854
where: short stacking energy: -621.428
Base-Backbone interact. energy: 1.469
local terms energy: -654.360041
where:
bonds (distance) C4'-P energy: -109.501
bonds (distance) P-C4' energy: -129.996
flat angles C4'-P-C4' energy: -139.646
flat angles P-C4'-P energy: -98.971
tors. eta vs tors. theta energy: -176.245
Dist. restrs. and SS energy: 10.141 (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: 9
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -2053.467248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.467248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.876480 (E_RNA)
where:
Base-Base interactions energy: -1430.985
where: short stacking energy: -627.255
Base-Backbone interact. energy: 2.537
local terms energy: -647.428306
where:
bonds (distance) C4'-P energy: -131.574
bonds (distance) P-C4' energy: -124.141
flat angles C4'-P-C4' energy: -138.978
flat angles P-C4'-P energy: -70.062
tors. eta vs tors. theta energy: -182.674
Dist. restrs. and SS energy: 22.409 (S_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: 194
Temperature: 1.350000
Total energy: -1876.300062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.300062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.483099 (E_RNA)
where:
Base-Base interactions energy: -1325.275
where: short stacking energy: -552.329
Base-Backbone interact. energy: -1.084
local terms energy: -568.123936
where:
bonds (distance) C4'-P energy: -93.264
bonds (distance) P-C4' energy: -129.837
flat angles C4'-P-C4' energy: -118.547
flat angles P-C4'-P energy: -78.435
tors. eta vs tors. theta energy: -148.040
Dist. restrs. and SS energy: 18.183 (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: 10
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -2722.703756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.703756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.596755 (E_RNA)
where:
Base-Base interactions energy: -1913.360
where: short stacking energy: -824.954
Base-Backbone interact. energy: -2.069
local terms energy: -811.167151
where:
bonds (distance) C4'-P energy: -150.014
bonds (distance) P-C4' energy: -139.868
flat angles C4'-P-C4' energy: -169.038
flat angles P-C4'-P energy: -109.388
tors. eta vs tors. theta energy: -242.859
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: 195
Temperature: 0.950000
Total energy: -2645.130926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.130926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.832230 (E_RNA)
where:
Base-Base interactions energy: -1822.048
where: short stacking energy: -792.567
Base-Backbone interact. energy: -0.115
local terms energy: -832.669022
where:
bonds (distance) C4'-P energy: -137.824
bonds (distance) P-C4' energy: -161.527
flat angles C4'-P-C4' energy: -175.681
flat angles P-C4'-P energy: -117.283
tors. eta vs tors. theta energy: -240.354
Dist. restrs. and SS energy: 9.701 (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: 2
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -2601.262905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.262905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.873641 (E_RNA)
where:
Base-Base interactions energy: -1819.872
where: short stacking energy: -776.098
Base-Backbone interact. energy: -0.156
local terms energy: -786.845781
where:
bonds (distance) C4'-P energy: -131.643
bonds (distance) P-C4' energy: -135.190
flat angles C4'-P-C4' energy: -175.227
flat angles P-C4'-P energy: -111.358
tors. eta vs tors. theta energy: -233.427
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: 4, replica: 3
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -2519.329369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.329369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.074232 (E_RNA)
where:
Base-Base interactions energy: -1768.375
where: short stacking energy: -745.176
Base-Backbone interact. energy: -3.991
local terms energy: -749.707780
where:
bonds (distance) C4'-P energy: -134.351
bonds (distance) P-C4' energy: -121.785
flat angles C4'-P-C4' energy: -165.326
flat angles P-C4'-P energy: -104.356
tors. eta vs tors. theta energy: -223.891
Dist. restrs. and SS energy: 2.745 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -2457.594051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.594051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.898651 (E_RNA)
where:
Base-Base interactions energy: -1741.336
where: short stacking energy: -735.639
Base-Backbone interact. energy: 2.849
local terms energy: -726.411743
where:
bonds (distance) C4'-P energy: -127.117
bonds (distance) P-C4' energy: -129.175
flat angles C4'-P-C4' energy: -149.551
flat angles P-C4'-P energy: -112.311
tors. eta vs tors. theta energy: -208.258
Dist. restrs. and SS energy: 7.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -2343.436680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.436680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.948526 (E_RNA)
where:
Base-Base interactions energy: -1637.871
where: short stacking energy: -659.659
Base-Backbone interact. energy: 1.237
local terms energy: -712.313673
where:
bonds (distance) C4'-P energy: -130.756
bonds (distance) P-C4' energy: -119.080
flat angles C4'-P-C4' energy: -152.277
flat angles P-C4'-P energy: -106.008
tors. eta vs tors. theta energy: -204.193
Dist. restrs. and SS energy: 5.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -2278.935853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.935853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.017461 (E_RNA)
where:
Base-Base interactions energy: -1603.152
where: short stacking energy: -663.020
Base-Backbone interact. energy: -2.764
local terms energy: -683.101225
where:
bonds (distance) C4'-P energy: -128.794
bonds (distance) P-C4' energy: -112.402
flat angles C4'-P-C4' energy: -157.544
flat angles P-C4'-P energy: -89.890
tors. eta vs tors. theta energy: -194.471
Dist. restrs. and SS energy: 10.082 (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: 4
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -2121.938011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.938011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.006567 (E_RNA)
where:
Base-Base interactions energy: -1490.824
where: short stacking energy: -612.808
Base-Backbone interact. energy: -3.666
local terms energy: -644.516018
where:
bonds (distance) C4'-P energy: -114.264
bonds (distance) P-C4' energy: -141.282
flat angles C4'-P-C4' energy: -148.087
flat angles P-C4'-P energy: -72.952
tors. eta vs tors. theta energy: -167.932
Dist. restrs. and SS energy: 17.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -2041.946168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.946168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.766112 (E_RNA)
where:
Base-Base interactions energy: -1449.349
where: short stacking energy: -601.133
Base-Backbone interact. energy: -2.585
local terms energy: -619.832614
where:
bonds (distance) C4'-P energy: -118.592
bonds (distance) P-C4' energy: -120.738
flat angles C4'-P-C4' energy: -131.433
flat angles P-C4'-P energy: -78.695
tors. eta vs tors. theta energy: -170.375
Dist. restrs. and SS energy: 29.820 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -1926.866069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.866069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.710285 (E_RNA)
where:
Base-Base interactions energy: -1339.722
where: short stacking energy: -560.328
Base-Backbone interact. energy: 1.657
local terms energy: -614.645254
where:
bonds (distance) C4'-P energy: -107.425
bonds (distance) P-C4' energy: -136.298
flat angles C4'-P-C4' energy: -119.057
flat angles P-C4'-P energy: -81.047
tors. eta vs tors. theta energy: -170.818
Dist. restrs. and SS energy: 25.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -2756.624117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.624117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2759.776934 (E_RNA)
where:
Base-Base interactions energy: -1938.620
where: short stacking energy: -835.312
Base-Backbone interact. energy: 4.928
local terms energy: -826.084600
where:
bonds (distance) C4'-P energy: -149.072
bonds (distance) P-C4' energy: -147.389
flat angles C4'-P-C4' energy: -161.848
flat angles P-C4'-P energy: -122.598
tors. eta vs tors. theta energy: -245.178
Dist. restrs. and SS energy: 3.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -2685.067160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.067160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.882691 (E_RNA)
where:
Base-Base interactions energy: -1881.822
where: short stacking energy: -808.240
Base-Backbone interact. energy: -3.263
local terms energy: -804.798544
where:
bonds (distance) C4'-P energy: -133.967
bonds (distance) P-C4' energy: -133.284
flat angles C4'-P-C4' energy: -162.846
flat angles P-C4'-P energy: -124.082
tors. eta vs tors. theta energy: -250.619
Dist. restrs. and SS energy: 4.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -2606.225099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.225099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.358800 (E_RNA)
where:
Base-Base interactions energy: -1809.225
where: short stacking energy: -775.630
Base-Backbone interact. energy: -3.492
local terms energy: -797.642606
where:
bonds (distance) C4'-P energy: -147.814
bonds (distance) P-C4' energy: -138.115
flat angles C4'-P-C4' energy: -169.687
flat angles P-C4'-P energy: -109.371
tors. eta vs tors. theta energy: -232.655
Dist. restrs. and SS energy: 4.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -2476.564433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.564433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.816258 (E_RNA)
where:
Base-Base interactions energy: -1743.333
where: short stacking energy: -745.534
Base-Backbone interact. energy: -3.372
local terms energy: -734.112102
where:
bonds (distance) C4'-P energy: -114.244
bonds (distance) P-C4' energy: -136.853
flat angles C4'-P-C4' energy: -158.980
flat angles P-C4'-P energy: -102.102
tors. eta vs tors. theta energy: -221.932
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: 5, replica: 1
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -2447.397747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.397747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.990064 (E_RNA)
where:
Base-Base interactions energy: -1736.640
where: short stacking energy: -749.853
Base-Backbone interact. energy: -3.458
local terms energy: -713.891523
where:
bonds (distance) C4'-P energy: -118.144
bonds (distance) P-C4' energy: -120.343
flat angles C4'-P-C4' energy: -151.522
flat angles P-C4'-P energy: -98.927
tors. eta vs tors. theta energy: -224.955
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: 6, replica: 5
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -2348.039356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.039356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.867799 (E_RNA)
where:
Base-Base interactions energy: -1661.370
where: short stacking energy: -684.255
Base-Backbone interact. energy: -0.943
local terms energy: -694.555456
where:
bonds (distance) C4'-P energy: -122.666
bonds (distance) P-C4' energy: -119.836
flat angles C4'-P-C4' energy: -148.915
flat angles P-C4'-P energy: -100.460
tors. eta vs tors. theta energy: -202.678
Dist. restrs. and SS energy: 8.828 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -2223.626671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.626671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.105717 (E_RNA)
where:
Base-Base interactions energy: -1548.915
where: short stacking energy: -648.040
Base-Backbone interact. energy: -1.149
local terms energy: -683.042296
where:
bonds (distance) C4'-P energy: -125.017
bonds (distance) P-C4' energy: -138.322
flat angles C4'-P-C4' energy: -135.457
flat angles P-C4'-P energy: -90.145
tors. eta vs tors. theta energy: -194.101
Dist. restrs. and SS energy: 9.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -2088.005464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.005464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.562264 (E_RNA)
where:
Base-Base interactions energy: -1472.568
where: short stacking energy: -617.287
Base-Backbone interact. energy: -3.280
local terms energy: -624.714109
where:
bonds (distance) C4'-P energy: -90.244
bonds (distance) P-C4' energy: -128.768
flat angles C4'-P-C4' energy: -145.011
flat angles P-C4'-P energy: -83.546
tors. eta vs tors. theta energy: -177.146
Dist. restrs. and SS energy: 12.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -1971.797503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.797503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.304923 (E_RNA)
where:
Base-Base interactions energy: -1392.258
where: short stacking energy: -577.451
Base-Backbone interact. energy: 2.251
local terms energy: -601.298681
where:
bonds (distance) C4'-P energy: -111.537
bonds (distance) P-C4' energy: -119.789
flat angles C4'-P-C4' energy: -141.420
flat angles P-C4'-P energy: -71.096
tors. eta vs tors. theta energy: -157.457
Dist. restrs. and SS energy: 19.507 (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: 7
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -1944.420357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.420357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.790730 (E_RNA)
where:
Base-Base interactions energy: -1396.157
where: short stacking energy: -581.459
Base-Backbone interact. energy: -0.278
local terms energy: -563.356422
where:
bonds (distance) C4'-P energy: -96.697
bonds (distance) P-C4' energy: -97.888
flat angles C4'-P-C4' energy: -123.891
flat angles P-C4'-P energy: -85.210
tors. eta vs tors. theta energy: -159.671
Dist. restrs. and SS energy: 15.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -2765.771702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2765.771702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.693697 (E_RNA)
where:
Base-Base interactions energy: -1935.609
where: short stacking energy: -840.506
Base-Backbone interact. energy: -2.858
local terms energy: -832.226705
where:
bonds (distance) C4'-P energy: -138.873
bonds (distance) P-C4' energy: -150.910
flat angles C4'-P-C4' energy: -172.752
flat angles P-C4'-P energy: -117.389
tors. eta vs tors. theta energy: -252.302
Dist. restrs. and SS energy: 4.922 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -2663.256122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.256122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.975142 (E_RNA)
where:
Base-Base interactions energy: -1855.065
where: short stacking energy: -806.422
Base-Backbone interact. energy: -2.736
local terms energy: -808.174191
where:
bonds (distance) C4'-P energy: -148.558
bonds (distance) P-C4' energy: -132.842
flat angles C4'-P-C4' energy: -173.616
flat angles P-C4'-P energy: -121.238
tors. eta vs tors. theta energy: -231.919
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: 3, replica: 8
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -2642.447280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.447280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.108962 (E_RNA)
where:
Base-Base interactions energy: -1873.012
where: short stacking energy: -771.441
Base-Backbone interact. energy: -3.407
local terms energy: -772.689950
where:
bonds (distance) C4'-P energy: -128.726
bonds (distance) P-C4' energy: -151.442
flat angles C4'-P-C4' energy: -173.712
flat angles P-C4'-P energy: -93.984
tors. eta vs tors. theta energy: -224.827
Dist. restrs. and SS energy: 6.662 (S_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: 197
Temperature: 1.050000
Total energy: -2507.911760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.911760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.925332 (E_RNA)
where:
Base-Base interactions energy: -1756.442
where: short stacking energy: -755.872
Base-Backbone interact. energy: -0.389
local terms energy: -754.093919
where:
bonds (distance) C4'-P energy: -118.019
bonds (distance) P-C4' energy: -128.381
flat angles C4'-P-C4' energy: -163.656
flat angles P-C4'-P energy: -115.283
tors. eta vs tors. theta energy: -228.755
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: 1
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -2418.066080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.066080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.013435 (E_RNA)
where:
Base-Base interactions energy: -1697.261
where: short stacking energy: -711.110
Base-Backbone interact. energy: -4.077
local terms energy: -727.675880
where:
bonds (distance) C4'-P energy: -125.467
bonds (distance) P-C4' energy: -139.759
flat angles C4'-P-C4' energy: -151.059
flat angles P-C4'-P energy: -107.873
tors. eta vs tors. theta energy: -203.518
Dist. restrs. and SS energy: 10.947 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -2351.848737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.848737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.456851 (E_RNA)
where:
Base-Base interactions energy: -1676.681
where: short stacking energy: -705.583
Base-Backbone interact. energy: -2.615
local terms energy: -685.160673
where:
bonds (distance) C4'-P energy: -128.267
bonds (distance) P-C4' energy: -128.912
flat angles C4'-P-C4' energy: -128.771
flat angles P-C4'-P energy: -109.576
tors. eta vs tors. theta energy: -189.634
Dist. restrs. and SS energy: 12.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -2245.527332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.527332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.610169 (E_RNA)
where:
Base-Base interactions energy: -1601.259
where: short stacking energy: -636.970
Base-Backbone interact. energy: 1.052
local terms energy: -662.403199
where:
bonds (distance) C4'-P energy: -106.170
bonds (distance) P-C4' energy: -123.897
flat angles C4'-P-C4' energy: -145.393
flat angles P-C4'-P energy: -96.612
tors. eta vs tors. theta energy: -190.331
Dist. restrs. and SS energy: 17.083 (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: 197
Temperature: 1.250000
Total energy: -2092.774810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.774810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.754166 (E_RNA)
where:
Base-Base interactions energy: -1483.825
where: short stacking energy: -613.502
Base-Backbone interact. energy: -3.374
local terms energy: -618.555559
where:
bonds (distance) C4'-P energy: -111.493
bonds (distance) P-C4' energy: -124.621
flat angles C4'-P-C4' energy: -139.625
flat angles P-C4'-P energy: -79.908
tors. eta vs tors. theta energy: -162.909
Dist. restrs. and SS energy: 12.979 (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: 9
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -1946.502826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.502826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.666413 (E_RNA)
where:
Base-Base interactions energy: -1353.721
where: short stacking energy: -572.099
Base-Backbone interact. energy: 1.803
local terms energy: -622.748586
where:
bonds (distance) C4'-P energy: -121.994
bonds (distance) P-C4' energy: -125.847
flat angles C4'-P-C4' energy: -130.767
flat angles P-C4'-P energy: -88.045
tors. eta vs tors. theta energy: -156.095
Dist. restrs. and SS energy: 28.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -1879.521506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.521506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.495435 (E_RNA)
where:
Base-Base interactions energy: -1329.755
where: short stacking energy: -548.263
Base-Backbone interact. energy: -0.700
local terms energy: -570.039527
where:
bonds (distance) C4'-P energy: -96.754
bonds (distance) P-C4' energy: -101.716
flat angles C4'-P-C4' energy: -132.963
flat angles P-C4'-P energy: -84.033
tors. eta vs tors. theta energy: -154.574
Dist. restrs. and SS energy: 20.974 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -2771.214477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2771.214477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2773.558872 (E_RNA)
where:
Base-Base interactions energy: -1966.970
where: short stacking energy: -822.601
Base-Backbone interact. energy: -0.104
local terms energy: -806.485316
where:
bonds (distance) C4'-P energy: -129.931
bonds (distance) P-C4' energy: -148.730
flat angles C4'-P-C4' energy: -168.635
flat angles P-C4'-P energy: -107.267
tors. eta vs tors. theta energy: -251.923
Dist. restrs. and SS energy: 2.344 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -2671.011821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.011821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.325339 (E_RNA)
where:
Base-Base interactions energy: -1858.327
where: short stacking energy: -792.903
Base-Backbone interact. energy: 1.694
local terms energy: -816.692730
where:
bonds (distance) C4'-P energy: -139.182
bonds (distance) P-C4' energy: -147.827
flat angles C4'-P-C4' energy: -171.557
flat angles P-C4'-P energy: -115.837
tors. eta vs tors. theta energy: -242.288
Dist. restrs. and SS energy: 2.314 (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: 198
Temperature: 1.000000
Total energy: -2614.155220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.155220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.386102 (E_RNA)
where:
Base-Base interactions energy: -1819.618
where: short stacking energy: -768.284
Base-Backbone interact. energy: -3.446
local terms energy: -798.321916
where:
bonds (distance) C4'-P energy: -140.930
bonds (distance) P-C4' energy: -145.246
flat angles C4'-P-C4' energy: -163.213
flat angles P-C4'-P energy: -117.500
tors. eta vs tors. theta energy: -231.432
Dist. restrs. and SS energy: 7.231 (S_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: -2533.497792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.497792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.522190 (E_RNA)
where:
Base-Base interactions energy: -1776.347
where: short stacking energy: -745.770
Base-Backbone interact. energy: 1.214
local terms energy: -760.389519
where:
bonds (distance) C4'-P energy: -139.651
bonds (distance) P-C4' energy: -136.016
flat angles C4'-P-C4' energy: -154.549
flat angles P-C4'-P energy: -102.112
tors. eta vs tors. theta energy: -228.061
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: 5, replica: 1
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -2394.324722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.324722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.696823 (E_RNA)
where:
Base-Base interactions energy: -1663.320
where: short stacking energy: -710.540
Base-Backbone interact. energy: -1.196
local terms energy: -739.181431
where:
bonds (distance) C4'-P energy: -136.794
bonds (distance) P-C4' energy: -128.525
flat angles C4'-P-C4' energy: -152.952
flat angles P-C4'-P energy: -92.830
tors. eta vs tors. theta energy: -228.081
Dist. restrs. and SS energy: 9.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -2292.785968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.785968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.486359 (E_RNA)
where:
Base-Base interactions energy: -1621.726
where: short stacking energy: -679.855
Base-Backbone interact. energy: 0.978
local terms energy: -681.738350
where:
bonds (distance) C4'-P energy: -111.557
bonds (distance) P-C4' energy: -133.531
flat angles C4'-P-C4' energy: -159.851
flat angles P-C4'-P energy: -81.546
tors. eta vs tors. theta energy: -195.253
Dist. restrs. and SS energy: 9.700 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -2226.824383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.824383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.295028 (E_RNA)
where:
Base-Base interactions energy: -1550.349
where: short stacking energy: -655.138
Base-Backbone interact. energy: -4.155
local terms energy: -685.791046
where:
bonds (distance) C4'-P energy: -118.779
bonds (distance) P-C4' energy: -122.661
flat angles C4'-P-C4' energy: -151.511
flat angles P-C4'-P energy: -94.326
tors. eta vs tors. theta energy: -198.514
Dist. restrs. and SS energy: 13.471 (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: 4
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -2110.436566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.436566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.156347 (E_RNA)
where:
Base-Base interactions energy: -1485.765
where: short stacking energy: -621.061
Base-Backbone interact. energy: 2.937
local terms energy: -639.328956
where:
bonds (distance) C4'-P energy: -108.557
bonds (distance) P-C4' energy: -130.164
flat angles C4'-P-C4' energy: -142.600
flat angles P-C4'-P energy: -88.517
tors. eta vs tors. theta energy: -169.490
Dist. restrs. and SS energy: 11.720 (S_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: 198
Temperature: 1.300000
Total energy: -1970.501191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.501191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.498344 (E_RNA)
where:
Base-Base interactions energy: -1385.521
where: short stacking energy: -579.339
Base-Backbone interact. energy: -2.841
local terms energy: -603.136058
where:
bonds (distance) C4'-P energy: -121.346
bonds (distance) P-C4' energy: -106.408
flat angles C4'-P-C4' energy: -140.511
flat angles P-C4'-P energy: -81.639
tors. eta vs tors. theta energy: -153.231
Dist. restrs. and SS energy: 20.997 (S_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: 198
Temperature: 1.350000
Total energy: -1962.526272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.526272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.337587 (E_RNA)
where:
Base-Base interactions energy: -1373.587
where: short stacking energy: -589.282
Base-Backbone interact. energy: 0.931
local terms energy: -609.681264
where:
bonds (distance) C4'-P energy: -133.675
bonds (distance) P-C4' energy: -109.552
flat angles C4'-P-C4' energy: -123.526
flat angles P-C4'-P energy: -79.276
tors. eta vs tors. theta energy: -163.652
Dist. restrs. and SS energy: 19.811 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -2756.957607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.957607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.042850 (E_RNA)
where:
Base-Base interactions energy: -1936.112
where: short stacking energy: -830.218
Base-Backbone interact. energy: -2.311
local terms energy: -823.619412
where:
bonds (distance) C4'-P energy: -144.830
bonds (distance) P-C4' energy: -151.543
flat angles C4'-P-C4' energy: -164.117
flat angles P-C4'-P energy: -112.984
tors. eta vs tors. theta energy: -250.146
Dist. restrs. and SS energy: 5.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -2678.111379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.111379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.067300 (E_RNA)
where:
Base-Base interactions energy: -1869.044
where: short stacking energy: -805.722
Base-Backbone interact. energy: -0.942
local terms energy: -812.080842
where:
bonds (distance) C4'-P energy: -145.769
bonds (distance) P-C4' energy: -139.966
flat angles C4'-P-C4' energy: -172.936
flat angles P-C4'-P energy: -104.557
tors. eta vs tors. theta energy: -248.852
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: 199
Temperature: 1.000000
Total energy: -2606.760449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.760449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.895544 (E_RNA)
where:
Base-Base interactions energy: -1843.114
where: short stacking energy: -772.049
Base-Backbone interact. energy: -3.365
local terms energy: -767.417160
where:
bonds (distance) C4'-P energy: -134.814
bonds (distance) P-C4' energy: -137.061
flat angles C4'-P-C4' energy: -155.559
flat angles P-C4'-P energy: -110.182
tors. eta vs tors. theta energy: -229.801
Dist. restrs. and SS energy: 7.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -2556.668744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.668744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.631207 (E_RNA)
where:
Base-Base interactions energy: -1791.446
where: short stacking energy: -741.456
Base-Backbone interact. energy: -2.756
local terms energy: -764.428973
where:
bonds (distance) C4'-P energy: -134.402
bonds (distance) P-C4' energy: -134.092
flat angles C4'-P-C4' energy: -166.768
flat angles P-C4'-P energy: -102.472
tors. eta vs tors. theta energy: -226.695
Dist. restrs. and SS energy: 1.962 (S_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: 199
Temperature: 1.100000
Total energy: -2428.921386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.921386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.443019 (E_RNA)
where:
Base-Base interactions energy: -1676.895
where: short stacking energy: -707.023
Base-Backbone interact. energy: -2.734
local terms energy: -756.813700
where:
bonds (distance) C4'-P energy: -143.537
bonds (distance) P-C4' energy: -136.585
flat angles C4'-P-C4' energy: -156.394
flat angles P-C4'-P energy: -101.940
tors. eta vs tors. theta energy: -218.358
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: 6, replica: 5
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -2319.260671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.260671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.728589 (E_RNA)
where:
Base-Base interactions energy: -1630.749
where: short stacking energy: -675.418
Base-Backbone interact. energy: -4.564
local terms energy: -692.415985
where:
bonds (distance) C4'-P energy: -116.704
bonds (distance) P-C4' energy: -130.303
flat angles C4'-P-C4' energy: -149.758
flat angles P-C4'-P energy: -85.926
tors. eta vs tors. theta energy: -209.725
Dist. restrs. and SS energy: 8.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -2212.482093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.482093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.580911 (E_RNA)
where:
Base-Base interactions energy: -1558.210
where: short stacking energy: -655.760
Base-Backbone interact. energy: -0.772
local terms energy: -665.599357
where:
bonds (distance) C4'-P energy: -122.429
bonds (distance) P-C4' energy: -121.081
flat angles C4'-P-C4' energy: -139.344
flat angles P-C4'-P energy: -104.504
tors. eta vs tors. theta energy: -178.242
Dist. restrs. and SS energy: 12.099 (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: 4
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -2121.911062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.911062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.435480 (E_RNA)
where:
Base-Base interactions energy: -1485.873
where: short stacking energy: -618.972
Base-Backbone interact. energy: 0.942
local terms energy: -657.503555
where:
bonds (distance) C4'-P energy: -114.558
bonds (distance) P-C4' energy: -121.049
flat angles C4'-P-C4' energy: -152.733
flat angles P-C4'-P energy: -91.103
tors. eta vs tors. theta energy: -178.060
Dist. restrs. and SS energy: 20.524 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -1985.601310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.601310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.964675 (E_RNA)
where:
Base-Base interactions energy: -1440.462
where: short stacking energy: -574.670
Base-Backbone interact. energy: -1.410
local terms energy: -564.093433
where:
bonds (distance) C4'-P energy: -95.712
bonds (distance) P-C4' energy: -104.616
flat angles C4'-P-C4' energy: -128.144
flat angles P-C4'-P energy: -72.381
tors. eta vs tors. theta energy: -163.241
Dist. restrs. and SS energy: 20.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -1932.758850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.758850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.435721 (E_RNA)
where:
Base-Base interactions energy: -1405.249
where: short stacking energy: -570.328
Base-Backbone interact. energy: -2.307
local terms energy: -539.879411
where:
bonds (distance) C4'-P energy: -96.143
bonds (distance) P-C4' energy: -96.146
flat angles C4'-P-C4' energy: -129.287
flat angles P-C4'-P energy: -70.593
tors. eta vs tors. theta energy: -147.711
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: 10
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -2751.003595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.003595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.166230 (E_RNA)
where:
Base-Base interactions energy: -1931.421
where: short stacking energy: -818.069
Base-Backbone interact. energy: -3.048
local terms energy: -818.696665
where:
bonds (distance) C4'-P energy: -142.127
bonds (distance) P-C4' energy: -146.889
flat angles C4'-P-C4' energy: -165.644
flat angles P-C4'-P energy: -113.109
tors. eta vs tors. theta energy: -250.929
Dist. restrs. and SS energy: 2.163 (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: 2
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -2627.488752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.488752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.710293 (E_RNA)
where:
Base-Base interactions energy: -1845.654
where: short stacking energy: -796.016
Base-Backbone interact. energy: -3.027
local terms energy: -782.029155
where:
bonds (distance) C4'-P energy: -143.591
bonds (distance) P-C4' energy: -129.030
flat angles C4'-P-C4' energy: -159.882
flat angles P-C4'-P energy: -113.515
tors. eta vs tors. theta energy: -236.011
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: 8
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -2610.939714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.939714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.539718 (E_RNA)
where:
Base-Base interactions energy: -1846.699
where: short stacking energy: -768.469
Base-Backbone interact. energy: -3.002
local terms energy: -768.839276
where:
bonds (distance) C4'-P energy: -139.227
bonds (distance) P-C4' energy: -140.373
flat angles C4'-P-C4' energy: -151.863
flat angles P-C4'-P energy: -107.367
tors. eta vs tors. theta energy: -230.010
Dist. restrs. and SS energy: 7.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -2565.489665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.489665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.436055 (E_RNA)
where:
Base-Base interactions energy: -1785.634
where: short stacking energy: -738.193
Base-Backbone interact. energy: 1.481
local terms energy: -786.282996
where:
bonds (distance) C4'-P energy: -128.402
bonds (distance) P-C4' energy: -135.127
flat angles C4'-P-C4' energy: -176.319
flat angles P-C4'-P energy: -117.265
tors. eta vs tors. theta energy: -229.170
Dist. restrs. and SS energy: 4.946 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -2428.084028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.084028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.337750 (E_RNA)
where:
Base-Base interactions energy: -1712.031
where: short stacking energy: -692.552
Base-Backbone interact. energy: -2.514
local terms energy: -721.792693
where:
bonds (distance) C4'-P energy: -122.883
bonds (distance) P-C4' energy: -136.354
flat angles C4'-P-C4' energy: -150.733
flat angles P-C4'-P energy: -102.932
tors. eta vs tors. theta energy: -208.891
Dist. restrs. and SS energy: 8.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -2337.831672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.831672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.097191 (E_RNA)
where:
Base-Base interactions energy: -1636.856
where: short stacking energy: -698.225
Base-Backbone interact. energy: 2.333
local terms energy: -710.574370
where:
bonds (distance) C4'-P energy: -140.263
bonds (distance) P-C4' energy: -123.020
flat angles C4'-P-C4' energy: -144.013
flat angles P-C4'-P energy: -107.505
tors. eta vs tors. theta energy: -195.774
Dist. restrs. and SS energy: 7.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -2200.741457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.741457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.156746 (E_RNA)
where:
Base-Base interactions energy: -1552.784
where: short stacking energy: -655.110
Base-Backbone interact. energy: 0.932
local terms energy: -661.304541
where:
bonds (distance) C4'-P energy: -129.599
bonds (distance) P-C4' energy: -113.668
flat angles C4'-P-C4' energy: -157.577
flat angles P-C4'-P energy: -86.738
tors. eta vs tors. theta energy: -173.723
Dist. restrs. and SS energy: 12.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -2171.155597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.155597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.579648 (E_RNA)
where:
Base-Base interactions energy: -1512.737
where: short stacking energy: -620.143
Base-Backbone interact. energy: -2.651
local terms energy: -662.191714
where:
bonds (distance) C4'-P energy: -132.338
bonds (distance) P-C4' energy: -126.222
flat angles C4'-P-C4' energy: -145.416
flat angles P-C4'-P energy: -80.958
tors. eta vs tors. theta energy: -177.258
Dist. restrs. and SS energy: 6.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -2085.499624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.499624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.239521 (E_RNA)
where:
Base-Base interactions energy: -1474.245
where: short stacking energy: -602.100
Base-Backbone interact. energy: -0.659
local terms energy: -623.335730
where:
bonds (distance) C4'-P energy: -101.470
bonds (distance) P-C4' energy: -127.540
flat angles C4'-P-C4' energy: -135.217
flat angles P-C4'-P energy: -85.151
tors. eta vs tors. theta energy: -173.958
Dist. restrs. and SS energy: 12.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -1945.975770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.975770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.340466 (E_RNA)
where:
Base-Base interactions energy: -1398.877
where: short stacking energy: -544.858
Base-Backbone interact. energy: -2.582
local terms energy: -565.880953
where:
bonds (distance) C4'-P energy: -101.569
bonds (distance) P-C4' energy: -95.951
flat angles C4'-P-C4' energy: -131.690
flat angles P-C4'-P energy: -91.302
tors. eta vs tors. theta energy: -145.369
Dist. restrs. and SS energy: 21.365 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -2759.184410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.184410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2763.065377 (E_RNA)
where:
Base-Base interactions energy: -1934.951
where: short stacking energy: -828.841
Base-Backbone interact. energy: 3.379
local terms energy: -831.492926
where:
bonds (distance) C4'-P energy: -140.775
bonds (distance) P-C4' energy: -161.247
flat angles C4'-P-C4' energy: -175.658
flat angles P-C4'-P energy: -106.374
tors. eta vs tors. theta energy: -247.439
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: 2, replica: 2
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -2665.622911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.622911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.321642 (E_RNA)
where:
Base-Base interactions energy: -1857.883
where: short stacking energy: -799.332
Base-Backbone interact. energy: -0.189
local terms energy: -812.249397
where:
bonds (distance) C4'-P energy: -135.700
bonds (distance) P-C4' energy: -146.752
flat angles C4'-P-C4' energy: -171.881
flat angles P-C4'-P energy: -122.255
tors. eta vs tors. theta energy: -235.662
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: 8
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -2580.929443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.929443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.230614 (E_RNA)
where:
Base-Base interactions energy: -1813.382
where: short stacking energy: -762.116
Base-Backbone interact. energy: -4.010
local terms energy: -771.839015
where:
bonds (distance) C4'-P energy: -143.384
bonds (distance) P-C4' energy: -128.160
flat angles C4'-P-C4' energy: -159.711
flat angles P-C4'-P energy: -111.196
tors. eta vs tors. theta energy: -229.388
Dist. restrs. and SS energy: 8.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -2526.842637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.842637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.833270 (E_RNA)
where:
Base-Base interactions energy: -1788.382
where: short stacking energy: -765.269
Base-Backbone interact. energy: -2.536
local terms energy: -740.915021
where:
bonds (distance) C4'-P energy: -119.997
bonds (distance) P-C4' energy: -140.225
flat angles C4'-P-C4' energy: -153.434
flat angles P-C4'-P energy: -97.722
tors. eta vs tors. theta energy: -229.536
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: 5, replica: 1
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -2423.362913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.362913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.198563 (E_RNA)
where:
Base-Base interactions energy: -1699.173
where: short stacking energy: -696.076
Base-Backbone interact. energy: 1.341
local terms energy: -733.367388
where:
bonds (distance) C4'-P energy: -127.992
bonds (distance) P-C4' energy: -138.094
flat angles C4'-P-C4' energy: -135.083
flat angles P-C4'-P energy: -114.168
tors. eta vs tors. theta energy: -218.031
Dist. restrs. and SS energy: 7.836 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -2330.464351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.464351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.920450 (E_RNA)
where:
Base-Base interactions energy: -1636.453
where: short stacking energy: -681.518
Base-Backbone interact. energy: 5.112
local terms energy: -710.579009
where:
bonds (distance) C4'-P energy: -126.978
bonds (distance) P-C4' energy: -127.837
flat angles C4'-P-C4' energy: -158.948
flat angles P-C4'-P energy: -99.362
tors. eta vs tors. theta energy: -197.453
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: 7, replica: 4
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -2182.631666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.631666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.246495 (E_RNA)
where:
Base-Base interactions energy: -1548.651
where: short stacking energy: -685.401
Base-Backbone interact. energy: 0.985
local terms energy: -652.580848
where:
bonds (distance) C4'-P energy: -94.922
bonds (distance) P-C4' energy: -137.358
flat angles C4'-P-C4' energy: -137.866
flat angles P-C4'-P energy: -91.594
tors. eta vs tors. theta energy: -190.840
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: 6
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -2185.244708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.244708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.451467 (E_RNA)
where:
Base-Base interactions energy: -1523.333
where: short stacking energy: -634.559
Base-Backbone interact. energy: -3.683
local terms energy: -666.435743
where:
bonds (distance) C4'-P energy: -134.443
bonds (distance) P-C4' energy: -126.111
flat angles C4'-P-C4' energy: -139.388
flat angles P-C4'-P energy: -91.705
tors. eta vs tors. theta energy: -174.789
Dist. restrs. and SS energy: 8.207 (S_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: 201
Temperature: 1.300000
Total energy: -2069.661416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.661416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.850887 (E_RNA)
where:
Base-Base interactions energy: -1439.085
where: short stacking energy: -577.837
Base-Backbone interact. energy: -4.186
local terms energy: -638.580322
where:
bonds (distance) C4'-P energy: -116.610
bonds (distance) P-C4' energy: -121.534
flat angles C4'-P-C4' energy: -149.579
flat angles P-C4'-P energy: -86.352
tors. eta vs tors. theta energy: -164.506
Dist. restrs. and SS energy: 12.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -1932.469730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.469730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.456574 (E_RNA)
where:
Base-Base interactions energy: -1374.161
where: short stacking energy: -560.338
Base-Backbone interact. energy: 2.473
local terms energy: -584.768615
where:
bonds (distance) C4'-P energy: -92.986
bonds (distance) P-C4' energy: -132.371
flat angles C4'-P-C4' energy: -123.135
flat angles P-C4'-P energy: -70.891
tors. eta vs tors. theta energy: -165.386
Dist. restrs. and SS energy: 23.987 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -2766.881625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.881625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2769.638620 (E_RNA)
where:
Base-Base interactions energy: -1947.441
where: short stacking energy: -811.226
Base-Backbone interact. energy: -6.606
local terms energy: -815.591975
where:
bonds (distance) C4'-P energy: -143.395
bonds (distance) P-C4' energy: -133.964
flat angles C4'-P-C4' energy: -164.203
flat angles P-C4'-P energy: -121.735
tors. eta vs tors. theta energy: -252.295
Dist. restrs. and SS energy: 2.757 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -2671.607321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.607321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.666909 (E_RNA)
where:
Base-Base interactions energy: -1872.458
where: short stacking energy: -801.828
Base-Backbone interact. energy: -4.675
local terms energy: -797.533800
where:
bonds (distance) C4'-P energy: -128.150
bonds (distance) P-C4' energy: -149.742
flat angles C4'-P-C4' energy: -168.941
flat angles P-C4'-P energy: -120.031
tors. eta vs tors. theta energy: -230.669
Dist. restrs. and SS energy: 3.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -2605.519861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.519861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.370224 (E_RNA)
where:
Base-Base interactions energy: -1820.521
where: short stacking energy: -757.126
Base-Backbone interact. energy: -3.946
local terms energy: -787.903122
where:
bonds (distance) C4'-P energy: -145.954
bonds (distance) P-C4' energy: -124.465
flat angles C4'-P-C4' energy: -163.552
flat angles P-C4'-P energy: -116.355
tors. eta vs tors. theta energy: -237.577
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: 4, replica: 3
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -2533.787759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.787759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.970941 (E_RNA)
where:
Base-Base interactions energy: -1780.253
where: short stacking energy: -726.161
Base-Backbone interact. energy: -2.305
local terms energy: -759.412838
where:
bonds (distance) C4'-P energy: -145.238
bonds (distance) P-C4' energy: -114.631
flat angles C4'-P-C4' energy: -161.253
flat angles P-C4'-P energy: -112.060
tors. eta vs tors. theta energy: -226.231
Dist. restrs. and SS energy: 8.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -2425.535146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.535146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.880943 (E_RNA)
where:
Base-Base interactions energy: -1705.442
where: short stacking energy: -726.275
Base-Backbone interact. energy: -0.868
local terms energy: -724.570340
where:
bonds (distance) C4'-P energy: -128.597
bonds (distance) P-C4' energy: -121.491
flat angles C4'-P-C4' energy: -160.307
flat angles P-C4'-P energy: -94.437
tors. eta vs tors. theta energy: -219.738
Dist. restrs. and SS energy: 5.346 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -2300.959974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.959974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.681126 (E_RNA)
where:
Base-Base interactions energy: -1603.550
where: short stacking energy: -664.722
Base-Backbone interact. energy: 0.443
local terms energy: -702.574910
where:
bonds (distance) C4'-P energy: -124.832
bonds (distance) P-C4' energy: -139.003
flat angles C4'-P-C4' energy: -147.539
flat angles P-C4'-P energy: -91.281
tors. eta vs tors. theta energy: -199.920
Dist. restrs. and SS energy: 4.721 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -2181.371350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.371350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.858718 (E_RNA)
where:
Base-Base interactions energy: -1518.306
where: short stacking energy: -644.221
Base-Backbone interact. energy: -0.096
local terms energy: -671.457231
where:
bonds (distance) C4'-P energy: -142.617
bonds (distance) P-C4' energy: -105.855
flat angles C4'-P-C4' energy: -159.118
flat angles P-C4'-P energy: -78.592
tors. eta vs tors. theta energy: -185.275
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: 8, replica: 6
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -2148.056681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.056681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.388980 (E_RNA)
where:
Base-Base interactions energy: -1515.524
where: short stacking energy: -638.653
Base-Backbone interact. energy: -0.791
local terms energy: -647.073765
where:
bonds (distance) C4'-P energy: -116.512
bonds (distance) P-C4' energy: -98.911
flat angles C4'-P-C4' energy: -146.623
flat angles P-C4'-P energy: -101.406
tors. eta vs tors. theta energy: -183.622
Dist. restrs. and SS energy: 15.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -2055.411728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.411728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.231109 (E_RNA)
where:
Base-Base interactions energy: -1468.527
where: short stacking energy: -597.921
Base-Backbone interact. energy: 0.736
local terms energy: -598.439690
where:
bonds (distance) C4'-P energy: -99.664
bonds (distance) P-C4' energy: -119.031
flat angles C4'-P-C4' energy: -125.612
flat angles P-C4'-P energy: -77.826
tors. eta vs tors. theta energy: -176.307
Dist. restrs. and SS energy: 10.819 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -1984.179971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.179971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.085496 (E_RNA)
where:
Base-Base interactions energy: -1414.465
where: short stacking energy: -613.897
Base-Backbone interact. energy: -2.820
local terms energy: -590.800680
where:
bonds (distance) C4'-P energy: -98.517
bonds (distance) P-C4' energy: -89.869
flat angles C4'-P-C4' energy: -137.652
flat angles P-C4'-P energy: -85.123
tors. eta vs tors. theta energy: -179.639
Dist. restrs. and SS energy: 23.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -2742.478164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.478164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.715075 (E_RNA)
where:
Base-Base interactions energy: -1943.810
where: short stacking energy: -794.741
Base-Backbone interact. energy: -3.333
local terms energy: -797.572386
where:
bonds (distance) C4'-P energy: -129.796
bonds (distance) P-C4' energy: -141.467
flat angles C4'-P-C4' energy: -166.043
flat angles P-C4'-P energy: -114.449
tors. eta vs tors. theta energy: -245.817
Dist. restrs. and SS energy: 2.237 (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: 2
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -2667.848985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.848985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.347330 (E_RNA)
where:
Base-Base interactions energy: -1871.872
where: short stacking energy: -804.124
Base-Backbone interact. energy: -1.907
local terms energy: -799.568956
where:
bonds (distance) C4'-P energy: -131.305
bonds (distance) P-C4' energy: -143.043
flat angles C4'-P-C4' energy: -178.891
flat angles P-C4'-P energy: -106.436
tors. eta vs tors. theta energy: -239.895
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: 3, replica: 8
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -2623.492058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.492058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.542511 (E_RNA)
where:
Base-Base interactions energy: -1837.712
where: short stacking energy: -779.986
Base-Backbone interact. energy: -1.910
local terms energy: -789.920736
where:
bonds (distance) C4'-P energy: -152.795
bonds (distance) P-C4' energy: -115.574
flat angles C4'-P-C4' energy: -168.059
flat angles P-C4'-P energy: -114.327
tors. eta vs tors. theta energy: -239.166
Dist. restrs. and SS energy: 6.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -2607.645971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.645971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.157553 (E_RNA)
where:
Base-Base interactions energy: -1829.214
where: short stacking energy: -772.803
Base-Backbone interact. energy: -4.768
local terms energy: -778.175182
where:
bonds (distance) C4'-P energy: -142.940
bonds (distance) P-C4' energy: -134.990
flat angles C4'-P-C4' energy: -152.949
flat angles P-C4'-P energy: -109.712
tors. eta vs tors. theta energy: -237.584
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: 5, replica: 1
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -2447.451246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.451246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.607411 (E_RNA)
where:
Base-Base interactions energy: -1722.851
where: short stacking energy: -737.182
Base-Backbone interact. energy: -4.220
local terms energy: -729.535789
where:
bonds (distance) C4'-P energy: -142.787
bonds (distance) P-C4' energy: -122.926
flat angles C4'-P-C4' energy: -154.398
flat angles P-C4'-P energy: -99.341
tors. eta vs tors. theta energy: -210.084
Dist. restrs. and SS energy: 9.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -2350.472231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.472231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.654369 (E_RNA)
where:
Base-Base interactions energy: -1662.436
where: short stacking energy: -686.910
Base-Backbone interact. energy: -1.035
local terms energy: -694.183891
where:
bonds (distance) C4'-P energy: -115.256
bonds (distance) P-C4' energy: -124.760
flat angles C4'-P-C4' energy: -140.669
flat angles P-C4'-P energy: -109.792
tors. eta vs tors. theta energy: -203.707
Dist. restrs. and SS energy: 7.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -2185.733961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.733961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.950043 (E_RNA)
where:
Base-Base interactions energy: -1524.118
where: short stacking energy: -619.794
Base-Backbone interact. energy: 2.203
local terms energy: -672.034919
where:
bonds (distance) C4'-P energy: -125.971
bonds (distance) P-C4' energy: -123.396
flat angles C4'-P-C4' energy: -155.744
flat angles P-C4'-P energy: -78.375
tors. eta vs tors. theta energy: -188.550
Dist. restrs. and SS energy: 8.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -2187.164857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.164857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.552004 (E_RNA)
where:
Base-Base interactions energy: -1546.296
where: short stacking energy: -641.337
Base-Backbone interact. energy: -3.935
local terms energy: -648.320400
where:
bonds (distance) C4'-P energy: -123.449
bonds (distance) P-C4' energy: -123.814
flat angles C4'-P-C4' energy: -134.974
flat angles P-C4'-P energy: -94.198
tors. eta vs tors. theta energy: -171.885
Dist. restrs. and SS energy: 11.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -2022.622268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.622268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.282197 (E_RNA)
where:
Base-Base interactions energy: -1466.446
where: short stacking energy: -597.960
Base-Backbone interact. energy: -2.676
local terms energy: -565.160441
where:
bonds (distance) C4'-P energy: -106.454
bonds (distance) P-C4' energy: -109.126
flat angles C4'-P-C4' energy: -116.351
flat angles P-C4'-P energy: -71.648
tors. eta vs tors. theta energy: -161.582
Dist. restrs. and SS energy: 11.660 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -1881.388994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.388994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.516181 (E_RNA)
where:
Base-Base interactions energy: -1339.944
where: short stacking energy: -546.137
Base-Backbone interact. energy: -1.610
local terms energy: -560.962734
where:
bonds (distance) C4'-P energy: -91.292
bonds (distance) P-C4' energy: -131.829
flat angles C4'-P-C4' energy: -134.551
flat angles P-C4'-P energy: -50.592
tors. eta vs tors. theta energy: -152.699
Dist. restrs. and SS energy: 21.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -2767.405701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.405701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.782802 (E_RNA)
where:
Base-Base interactions energy: -1958.751
where: short stacking energy: -832.206
Base-Backbone interact. energy: -0.142
local terms energy: -811.889312
where:
bonds (distance) C4'-P energy: -140.488
bonds (distance) P-C4' energy: -156.078
flat angles C4'-P-C4' energy: -160.095
flat angles P-C4'-P energy: -114.721
tors. eta vs tors. theta energy: -240.507
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: 2, replica: 2
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -2661.754465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.754465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.499654 (E_RNA)
where:
Base-Base interactions energy: -1865.062
where: short stacking energy: -787.900
Base-Backbone interact. energy: 3.981
local terms energy: -804.418795
where:
bonds (distance) C4'-P energy: -128.206
bonds (distance) P-C4' energy: -151.882
flat angles C4'-P-C4' energy: -169.388
flat angles P-C4'-P energy: -116.464
tors. eta vs tors. theta energy: -238.480
Dist. restrs. and SS energy: 3.745 (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: 204
Temperature: 1.000000
Total energy: -2640.468195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.468195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.264076 (E_RNA)
where:
Base-Base interactions energy: -1831.406
where: short stacking energy: -794.452
Base-Backbone interact. energy: -3.836
local terms energy: -812.022226
where:
bonds (distance) C4'-P energy: -139.622
bonds (distance) P-C4' energy: -146.721
flat angles C4'-P-C4' energy: -170.165
flat angles P-C4'-P energy: -111.034
tors. eta vs tors. theta energy: -244.481
Dist. restrs. and SS energy: 6.796 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -2599.201140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.201140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.479463 (E_RNA)
where:
Base-Base interactions energy: -1835.187
where: short stacking energy: -756.601
Base-Backbone interact. energy: -0.991
local terms energy: -768.301362
where:
bonds (distance) C4'-P energy: -120.116
bonds (distance) P-C4' energy: -138.066
flat angles C4'-P-C4' energy: -153.155
flat angles P-C4'-P energy: -117.752
tors. eta vs tors. theta energy: -239.213
Dist. restrs. and SS energy: 5.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -2453.845269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.845269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.122299 (E_RNA)
where:
Base-Base interactions energy: -1727.095
where: short stacking energy: -700.044
Base-Backbone interact. energy: -1.296
local terms energy: -733.731898
where:
bonds (distance) C4'-P energy: -132.247
bonds (distance) P-C4' energy: -134.855
flat angles C4'-P-C4' energy: -145.734
flat angles P-C4'-P energy: -108.598
tors. eta vs tors. theta energy: -212.298
Dist. restrs. and SS energy: 8.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -2385.967544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.967544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.820559 (E_RNA)
where:
Base-Base interactions energy: -1691.152
where: short stacking energy: -685.502
Base-Backbone interact. energy: -6.857
local terms energy: -699.811409
where:
bonds (distance) C4'-P energy: -120.737
bonds (distance) P-C4' energy: -144.736
flat angles C4'-P-C4' energy: -128.228
flat angles P-C4'-P energy: -107.321
tors. eta vs tors. theta energy: -198.789
Dist. restrs. and SS energy: 11.853 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -2221.847716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.847716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.843590 (E_RNA)
where:
Base-Base interactions energy: -1575.049
where: short stacking energy: -655.811
Base-Backbone interact. energy: -3.967
local terms energy: -652.827581
where:
bonds (distance) C4'-P energy: -103.533
bonds (distance) P-C4' energy: -125.066
flat angles C4'-P-C4' energy: -154.424
flat angles P-C4'-P energy: -90.039
tors. eta vs tors. theta energy: -179.765
Dist. restrs. and SS energy: 9.996 (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: 4
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -2127.302212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.302212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.368228 (E_RNA)
where:
Base-Base interactions energy: -1512.500
where: short stacking energy: -620.473
Base-Backbone interact. energy: 3.554
local terms energy: -639.422091
where:
bonds (distance) C4'-P energy: -115.590
bonds (distance) P-C4' energy: -130.910
flat angles C4'-P-C4' energy: -131.683
flat angles P-C4'-P energy: -79.776
tors. eta vs tors. theta energy: -181.463
Dist. restrs. and SS energy: 21.066 (S_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: 204
Temperature: 1.300000
Total energy: -2048.151400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.151400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.800286 (E_RNA)
where:
Base-Base interactions energy: -1442.552
where: short stacking energy: -599.318
Base-Backbone interact. energy: 1.434
local terms energy: -624.682588
where:
bonds (distance) C4'-P energy: -108.505
bonds (distance) P-C4' energy: -113.587
flat angles C4'-P-C4' energy: -139.493
flat angles P-C4'-P energy: -90.977
tors. eta vs tors. theta energy: -172.121
Dist. restrs. and SS energy: 17.649 (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: 7
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -1887.822551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.822551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.447807 (E_RNA)
where:
Base-Base interactions energy: -1325.167
where: short stacking energy: -568.944
Base-Backbone interact. energy: 0.710
local terms energy: -593.990459
where:
bonds (distance) C4'-P energy: -113.234
bonds (distance) P-C4' energy: -115.531
flat angles C4'-P-C4' energy: -131.751
flat angles P-C4'-P energy: -80.894
tors. eta vs tors. theta energy: -152.581
Dist. restrs. and SS energy: 30.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -2768.364286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2768.364286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2771.506736 (E_RNA)
where:
Base-Base interactions energy: -1946.764
where: short stacking energy: -801.395
Base-Backbone interact. energy: -2.993
local terms energy: -821.749781
where:
bonds (distance) C4'-P energy: -140.474
bonds (distance) P-C4' energy: -149.178
flat angles C4'-P-C4' energy: -166.820
flat angles P-C4'-P energy: -119.648
tors. eta vs tors. theta energy: -245.630
Dist. restrs. and SS energy: 3.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -2680.279684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.279684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.349311 (E_RNA)
where:
Base-Base interactions energy: -1862.145
where: short stacking energy: -830.521
Base-Backbone interact. energy: 0.815
local terms energy: -822.019053
where:
bonds (distance) C4'-P energy: -144.577
bonds (distance) P-C4' energy: -151.017
flat angles C4'-P-C4' energy: -171.592
flat angles P-C4'-P energy: -107.983
tors. eta vs tors. theta energy: -246.850
Dist. restrs. and SS energy: 3.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -2679.433954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.433954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.646191 (E_RNA)
where:
Base-Base interactions energy: -1869.230
where: short stacking energy: -798.960
Base-Backbone interact. energy: -4.879
local terms energy: -809.538006
where:
bonds (distance) C4'-P energy: -143.890
bonds (distance) P-C4' energy: -133.674
flat angles C4'-P-C4' energy: -166.431
flat angles P-C4'-P energy: -122.795
tors. eta vs tors. theta energy: -242.747
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: 4, replica: 3
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -2545.338714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.338714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.083280 (E_RNA)
where:
Base-Base interactions energy: -1793.943
where: short stacking energy: -756.755
Base-Backbone interact. energy: -3.815
local terms energy: -752.325952
where:
bonds (distance) C4'-P energy: -117.881
bonds (distance) P-C4' energy: -126.297
flat angles C4'-P-C4' energy: -167.136
flat angles P-C4'-P energy: -114.357
tors. eta vs tors. theta energy: -226.655
Dist. restrs. and SS energy: 4.745 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -2460.793840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.793840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.338684 (E_RNA)
where:
Base-Base interactions energy: -1733.345
where: short stacking energy: -739.678
Base-Backbone interact. energy: -3.174
local terms energy: -731.820263
where:
bonds (distance) C4'-P energy: -122.624
bonds (distance) P-C4' energy: -131.045
flat angles C4'-P-C4' energy: -151.937
flat angles P-C4'-P energy: -103.739
tors. eta vs tors. theta energy: -222.475
Dist. restrs. and SS energy: 7.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -2382.718941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.718941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.220019 (E_RNA)
where:
Base-Base interactions energy: -1654.326
where: short stacking energy: -707.443
Base-Backbone interact. energy: -3.643
local terms energy: -738.251778
where:
bonds (distance) C4'-P energy: -114.526
bonds (distance) P-C4' energy: -138.380
flat angles C4'-P-C4' energy: -162.494
flat angles P-C4'-P energy: -110.746
tors. eta vs tors. theta energy: -212.106
Dist. restrs. and SS energy: 13.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -2257.004895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.004895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.082630 (E_RNA)
where:
Base-Base interactions energy: -1567.988
where: short stacking energy: -657.099
Base-Backbone interact. energy: -5.143
local terms energy: -690.951397
where:
bonds (distance) C4'-P energy: -127.103
bonds (distance) P-C4' energy: -133.007
flat angles C4'-P-C4' energy: -146.600
flat angles P-C4'-P energy: -95.769
tors. eta vs tors. theta energy: -188.473
Dist. restrs. and SS energy: 7.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -2169.156892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.156892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.744555 (E_RNA)
where:
Base-Base interactions energy: -1542.589
where: short stacking energy: -653.953
Base-Backbone interact. energy: 2.432
local terms energy: -638.587766
where:
bonds (distance) C4'-P energy: -102.335
bonds (distance) P-C4' energy: -131.657
flat angles C4'-P-C4' energy: -127.361
flat angles P-C4'-P energy: -98.149
tors. eta vs tors. theta energy: -179.086
Dist. restrs. and SS energy: 9.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -2065.387660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.387660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.188852 (E_RNA)
where:
Base-Base interactions energy: -1471.060
where: short stacking energy: -597.041
Base-Backbone interact. energy: 1.728
local terms energy: -607.856994
where:
bonds (distance) C4'-P energy: -121.807
bonds (distance) P-C4' energy: -110.234
flat angles C4'-P-C4' energy: -134.252
flat angles P-C4'-P energy: -85.601
tors. eta vs tors. theta energy: -155.964
Dist. restrs. and SS energy: 11.801 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -1833.464489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.464489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.868679 (E_RNA)
where:
Base-Base interactions energy: -1309.984
where: short stacking energy: -538.013
Base-Backbone interact. energy: 0.701
local terms energy: -562.586188
where:
bonds (distance) C4'-P energy: -119.222
bonds (distance) P-C4' energy: -115.566
flat angles C4'-P-C4' energy: -126.666
flat angles P-C4'-P energy: -62.301
tors. eta vs tors. theta energy: -138.830
Dist. restrs. and SS energy: 38.404 (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: 10
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -2765.843840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2765.843840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2769.486541 (E_RNA)
where:
Base-Base interactions energy: -1924.122
where: short stacking energy: -823.964
Base-Backbone interact. energy: -1.714
local terms energy: -843.650574
where:
bonds (distance) C4'-P energy: -147.052
bonds (distance) P-C4' energy: -152.436
flat angles C4'-P-C4' energy: -179.377
flat angles P-C4'-P energy: -119.058
tors. eta vs tors. theta energy: -245.727
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: 2, replica: 2
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -2683.041584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.041584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.615050 (E_RNA)
where:
Base-Base interactions energy: -1875.644
where: short stacking energy: -800.845
Base-Backbone interact. energy: -0.230
local terms energy: -810.741679
where:
bonds (distance) C4'-P energy: -135.086
bonds (distance) P-C4' energy: -154.361
flat angles C4'-P-C4' energy: -164.463
flat angles P-C4'-P energy: -114.002
tors. eta vs tors. theta energy: -242.829
Dist. restrs. and SS energy: 3.573 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -2652.361957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.361957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.961174 (E_RNA)
where:
Base-Base interactions energy: -1856.235
where: short stacking energy: -786.229
Base-Backbone interact. energy: -2.385
local terms energy: -799.341143
where:
bonds (distance) C4'-P energy: -143.528
bonds (distance) P-C4' energy: -140.481
flat angles C4'-P-C4' energy: -160.128
flat angles P-C4'-P energy: -107.403
tors. eta vs tors. theta energy: -247.801
Dist. restrs. and SS energy: 5.599 (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: 3
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -2558.101369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.101369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.347579 (E_RNA)
where:
Base-Base interactions energy: -1779.665
where: short stacking energy: -750.689
Base-Backbone interact. energy: -3.560
local terms energy: -780.122854
where:
bonds (distance) C4'-P energy: -134.490
bonds (distance) P-C4' energy: -138.386
flat angles C4'-P-C4' energy: -160.395
flat angles P-C4'-P energy: -123.770
tors. eta vs tors. theta energy: -223.082
Dist. restrs. and SS energy: 5.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -2454.633721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.633721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.552093 (E_RNA)
where:
Base-Base interactions energy: -1691.048
where: short stacking energy: -720.674
Base-Backbone interact. energy: -1.671
local terms energy: -767.832672
where:
bonds (distance) C4'-P energy: -146.283
bonds (distance) P-C4' energy: -123.934
flat angles C4'-P-C4' energy: -154.013
flat angles P-C4'-P energy: -113.331
tors. eta vs tors. theta energy: -230.271
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: 6, replica: 5
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -2359.517758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.517758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.311754 (E_RNA)
where:
Base-Base interactions energy: -1670.545
where: short stacking energy: -691.126
Base-Backbone interact. energy: -1.391
local terms energy: -703.375775
where:
bonds (distance) C4'-P energy: -103.840
bonds (distance) P-C4' energy: -128.390
flat angles C4'-P-C4' energy: -178.032
flat angles P-C4'-P energy: -101.699
tors. eta vs tors. theta energy: -191.415
Dist. restrs. and SS energy: 15.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -2202.446734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.446734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.747084 (E_RNA)
where:
Base-Base interactions energy: -1563.002
where: short stacking energy: -671.674
Base-Backbone interact. energy: -4.796
local terms energy: -644.948528
where:
bonds (distance) C4'-P energy: -114.847
bonds (distance) P-C4' energy: -116.456
flat angles C4'-P-C4' energy: -146.168
flat angles P-C4'-P energy: -84.649
tors. eta vs tors. theta energy: -182.828
Dist. restrs. and SS energy: 10.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -2154.533618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.533618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.579763 (E_RNA)
where:
Base-Base interactions energy: -1511.064
where: short stacking energy: -627.504
Base-Backbone interact. energy: -3.204
local terms energy: -651.311850
where:
bonds (distance) C4'-P energy: -126.802
bonds (distance) P-C4' energy: -128.329
flat angles C4'-P-C4' energy: -135.314
flat angles P-C4'-P energy: -87.064
tors. eta vs tors. theta energy: -173.803
Dist. restrs. and SS energy: 11.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -2038.951768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.951768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.478583 (E_RNA)
where:
Base-Base interactions energy: -1464.062
where: short stacking energy: -587.182
Base-Backbone interact. energy: -0.763
local terms energy: -586.653276
where:
bonds (distance) C4'-P energy: -122.030
bonds (distance) P-C4' energy: -117.248
flat angles C4'-P-C4' energy: -115.390
flat angles P-C4'-P energy: -63.969
tors. eta vs tors. theta energy: -168.015
Dist. restrs. and SS energy: 12.527 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -1857.208834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.208834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.510093 (E_RNA)
where:
Base-Base interactions energy: -1322.989
where: short stacking energy: -547.533
Base-Backbone interact. energy: 3.238
local terms energy: -569.759266
where:
bonds (distance) C4'-P energy: -76.590
bonds (distance) P-C4' energy: -120.427
flat angles C4'-P-C4' energy: -134.674
flat angles P-C4'-P energy: -84.785
tors. eta vs tors. theta energy: -153.283
Dist. restrs. and SS energy: 32.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -2753.631740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.631740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.737909 (E_RNA)
where:
Base-Base interactions energy: -1940.754
where: short stacking energy: -809.852
Base-Backbone interact. energy: -2.609
local terms energy: -813.375243
where:
bonds (distance) C4'-P energy: -138.113
bonds (distance) P-C4' energy: -140.142
flat angles C4'-P-C4' energy: -167.905
flat angles P-C4'-P energy: -121.510
tors. eta vs tors. theta energy: -245.706
Dist. restrs. and SS energy: 3.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -2724.578614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.578614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.033385 (E_RNA)
where:
Base-Base interactions energy: -1932.101
where: short stacking energy: -809.259
Base-Backbone interact. energy: -2.969
local terms energy: -796.963569
where:
bonds (distance) C4'-P energy: -131.818
bonds (distance) P-C4' energy: -132.776
flat angles C4'-P-C4' energy: -171.854
flat angles P-C4'-P energy: -118.344
tors. eta vs tors. theta energy: -242.171
Dist. restrs. and SS energy: 7.455 (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: 2
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -2647.489441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.489441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.987074 (E_RNA)
where:
Base-Base interactions energy: -1873.190
where: short stacking energy: -825.979
Base-Backbone interact. energy: -2.738
local terms energy: -775.059143
where:
bonds (distance) C4'-P energy: -121.643
bonds (distance) P-C4' energy: -130.701
flat angles C4'-P-C4' energy: -162.999
flat angles P-C4'-P energy: -114.937
tors. eta vs tors. theta energy: -244.778
Dist. restrs. and SS energy: 3.498 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -2562.405397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.405397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.523000 (E_RNA)
where:
Base-Base interactions energy: -1794.921
where: short stacking energy: -749.764
Base-Backbone interact. energy: -4.045
local terms energy: -766.557137
where:
bonds (distance) C4'-P energy: -130.405
bonds (distance) P-C4' energy: -125.308
flat angles C4'-P-C4' energy: -162.615
flat angles P-C4'-P energy: -121.686
tors. eta vs tors. theta energy: -226.542
Dist. restrs. and SS energy: 3.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -2431.953043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.953043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.971034 (E_RNA)
where:
Base-Base interactions energy: -1720.907
where: short stacking energy: -705.240
Base-Backbone interact. energy: -3.299
local terms energy: -712.765111
where:
bonds (distance) C4'-P energy: -110.880
bonds (distance) P-C4' energy: -124.838
flat angles C4'-P-C4' energy: -148.843
flat angles P-C4'-P energy: -106.917
tors. eta vs tors. theta energy: -221.287
Dist. restrs. and SS energy: 5.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -2369.617880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.617880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.827090 (E_RNA)
where:
Base-Base interactions energy: -1684.740
where: short stacking energy: -694.850
Base-Backbone interact. energy: 0.536
local terms energy: -697.623805
where:
bonds (distance) C4'-P energy: -121.387
bonds (distance) P-C4' energy: -124.559
flat angles C4'-P-C4' energy: -155.158
flat angles P-C4'-P energy: -95.789
tors. eta vs tors. theta energy: -200.731
Dist. restrs. and SS energy: 12.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -2175.957097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.957097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.344080 (E_RNA)
where:
Base-Base interactions energy: -1522.410
where: short stacking energy: -619.488
Base-Backbone interact. energy: -0.700
local terms energy: -659.234640
where:
bonds (distance) C4'-P energy: -118.388
bonds (distance) P-C4' energy: -119.487
flat angles C4'-P-C4' energy: -149.386
flat angles P-C4'-P energy: -97.579
tors. eta vs tors. theta energy: -174.395
Dist. restrs. and SS energy: 6.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -2187.837706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.837706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.577260 (E_RNA)
where:
Base-Base interactions energy: -1515.284
where: short stacking energy: -604.987
Base-Backbone interact. energy: -1.985
local terms energy: -677.308203
where:
bonds (distance) C4'-P energy: -128.035
bonds (distance) P-C4' energy: -126.339
flat angles C4'-P-C4' energy: -149.720
flat angles P-C4'-P energy: -86.921
tors. eta vs tors. theta energy: -186.293
Dist. restrs. and SS energy: 6.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -1986.891184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.891184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.625605 (E_RNA)
where:
Base-Base interactions energy: -1388.506
where: short stacking energy: -569.495
Base-Backbone interact. energy: -1.583
local terms energy: -609.535857
where:
bonds (distance) C4'-P energy: -108.416
bonds (distance) P-C4' energy: -133.389
flat angles C4'-P-C4' energy: -124.232
flat angles P-C4'-P energy: -84.347
tors. eta vs tors. theta energy: -159.153
Dist. restrs. and SS energy: 12.734 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -1891.936843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.936843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.727568 (E_RNA)
where:
Base-Base interactions energy: -1319.400
where: short stacking energy: -527.854
Base-Backbone interact. energy: -2.032
local terms energy: -603.295775
where:
bonds (distance) C4'-P energy: -117.649
bonds (distance) P-C4' energy: -132.409
flat angles C4'-P-C4' energy: -122.562
flat angles P-C4'-P energy: -70.282
tors. eta vs tors. theta energy: -160.394
Dist. restrs. and SS energy: 32.791 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -2771.265702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2771.265702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.184367 (E_RNA)
where:
Base-Base interactions energy: -1943.219
where: short stacking energy: -837.807
Base-Backbone interact. energy: 0.476
local terms energy: -834.440953
where:
bonds (distance) C4'-P energy: -134.731
bonds (distance) P-C4' energy: -146.170
flat angles C4'-P-C4' energy: -174.090
flat angles P-C4'-P energy: -126.431
tors. eta vs tors. theta energy: -253.018
Dist. restrs. and SS energy: 5.919 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -2688.504369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.504369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.122061 (E_RNA)
where:
Base-Base interactions energy: -1859.134
where: short stacking energy: -792.634
Base-Backbone interact. energy: -2.500
local terms energy: -832.488867
where:
bonds (distance) C4'-P energy: -149.912
bonds (distance) P-C4' energy: -153.157
flat angles C4'-P-C4' energy: -171.571
flat angles P-C4'-P energy: -111.990
tors. eta vs tors. theta energy: -245.858
Dist. restrs. and SS energy: 5.618 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -2655.932044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.932044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.759933 (E_RNA)
where:
Base-Base interactions energy: -1885.514
where: short stacking energy: -826.015
Base-Backbone interact. energy: -1.282
local terms energy: -771.964383
where:
bonds (distance) C4'-P energy: -138.225
bonds (distance) P-C4' energy: -120.005
flat angles C4'-P-C4' energy: -162.073
flat angles P-C4'-P energy: -104.451
tors. eta vs tors. theta energy: -247.211
Dist. restrs. and SS energy: 2.828 (S_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: 208
Temperature: 1.050000
Total energy: -2579.589155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.589155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.569320 (E_RNA)
where:
Base-Base interactions energy: -1816.949
where: short stacking energy: -734.620
Base-Backbone interact. energy: -1.380
local terms energy: -764.239899
where:
bonds (distance) C4'-P energy: -131.056
bonds (distance) P-C4' energy: -134.883
flat angles C4'-P-C4' energy: -159.723
flat angles P-C4'-P energy: -110.421
tors. eta vs tors. theta energy: -228.157
Dist. restrs. and SS energy: 2.980 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -2414.286960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.286960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.626547 (E_RNA)
where:
Base-Base interactions energy: -1719.999
where: short stacking energy: -716.508
Base-Backbone interact. energy: 0.566
local terms energy: -700.192706
where:
bonds (distance) C4'-P energy: -102.486
bonds (distance) P-C4' energy: -131.732
flat angles C4'-P-C4' energy: -155.328
flat angles P-C4'-P energy: -89.757
tors. eta vs tors. theta energy: -220.889
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: 6, replica: 5
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -2331.956695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.956695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.483157 (E_RNA)
where:
Base-Base interactions energy: -1638.842
where: short stacking energy: -671.750
Base-Backbone interact. energy: -3.514
local terms energy: -700.127483
where:
bonds (distance) C4'-P energy: -111.795
bonds (distance) P-C4' energy: -116.323
flat angles C4'-P-C4' energy: -166.271
flat angles P-C4'-P energy: -102.992
tors. eta vs tors. theta energy: -202.746
Dist. restrs. and SS energy: 10.526 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -2231.182230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.182230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.752629 (E_RNA)
where:
Base-Base interactions energy: -1584.895
where: short stacking energy: -679.407
Base-Backbone interact. energy: -2.172
local terms energy: -658.685367
where:
bonds (distance) C4'-P energy: -116.160
bonds (distance) P-C4' energy: -121.471
flat angles C4'-P-C4' energy: -132.328
flat angles P-C4'-P energy: -92.520
tors. eta vs tors. theta energy: -196.206
Dist. restrs. and SS energy: 14.570 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -2133.978546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.978546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.567609 (E_RNA)
where:
Base-Base interactions energy: -1541.355
where: short stacking energy: -614.234
Base-Backbone interact. energy: 2.058
local terms energy: -603.271186
where:
bonds (distance) C4'-P energy: -117.831
bonds (distance) P-C4' energy: -91.525
flat angles C4'-P-C4' energy: -134.061
flat angles P-C4'-P energy: -90.666
tors. eta vs tors. theta energy: -169.187
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: 9, replica: 9
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -2006.635114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.635114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.178578 (E_RNA)
where:
Base-Base interactions energy: -1430.418
where: short stacking energy: -584.219
Base-Backbone interact. energy: -0.506
local terms energy: -594.254132
where:
bonds (distance) C4'-P energy: -97.610
bonds (distance) P-C4' energy: -131.340
flat angles C4'-P-C4' energy: -130.136
flat angles P-C4'-P energy: -73.467
tors. eta vs tors. theta energy: -161.700
Dist. restrs. and SS energy: 18.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -1911.171245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.171245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.316976 (E_RNA)
where:
Base-Base interactions energy: -1373.911
where: short stacking energy: -577.445
Base-Backbone interact. energy: 0.428
local terms energy: -560.834270
where:
bonds (distance) C4'-P energy: -85.154
bonds (distance) P-C4' energy: -115.611
flat angles C4'-P-C4' energy: -134.014
flat angles P-C4'-P energy: -65.144
tors. eta vs tors. theta energy: -160.912
Dist. restrs. and SS energy: 23.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -2739.313294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.313294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.769085 (E_RNA)
where:
Base-Base interactions energy: -1923.714
where: short stacking energy: -814.936
Base-Backbone interact. energy: -0.228
local terms energy: -820.827629
where:
bonds (distance) C4'-P energy: -148.176
bonds (distance) P-C4' energy: -145.865
flat angles C4'-P-C4' energy: -170.125
flat angles P-C4'-P energy: -113.428
tors. eta vs tors. theta energy: -243.234
Dist. restrs. and SS energy: 5.456 (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: 8
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -2693.809330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.809330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.515272 (E_RNA)
where:
Base-Base interactions energy: -1879.912
where: short stacking energy: -775.098
Base-Backbone interact. energy: -3.383
local terms energy: -815.219800
where:
bonds (distance) C4'-P energy: -128.236
bonds (distance) P-C4' energy: -146.387
flat angles C4'-P-C4' energy: -177.956
flat angles P-C4'-P energy: -116.248
tors. eta vs tors. theta energy: -246.392
Dist. restrs. and SS energy: 4.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -2606.161878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.161878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.774517 (E_RNA)
where:
Base-Base interactions energy: -1843.148
where: short stacking energy: -799.028
Base-Backbone interact. energy: 5.581
local terms energy: -771.207213
where:
bonds (distance) C4'-P energy: -124.390
bonds (distance) P-C4' energy: -141.037
flat angles C4'-P-C4' energy: -158.491
flat angles P-C4'-P energy: -102.474
tors. eta vs tors. theta energy: -244.814
Dist. restrs. and SS energy: 2.613 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -2550.444264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.444264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.076718 (E_RNA)
where:
Base-Base interactions energy: -1817.447
where: short stacking energy: -758.737
Base-Backbone interact. energy: 4.324
local terms energy: -744.953602
where:
bonds (distance) C4'-P energy: -128.326
bonds (distance) P-C4' energy: -143.527
flat angles C4'-P-C4' energy: -145.009
flat angles P-C4'-P energy: -105.112
tors. eta vs tors. theta energy: -222.979
Dist. restrs. and SS energy: 7.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -2424.398169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.398169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.924730 (E_RNA)
where:
Base-Base interactions energy: -1699.513
where: short stacking energy: -705.350
Base-Backbone interact. energy: 0.392
local terms energy: -733.803383
where:
bonds (distance) C4'-P energy: -127.693
bonds (distance) P-C4' energy: -132.847
flat angles C4'-P-C4' energy: -168.590
flat angles P-C4'-P energy: -103.327
tors. eta vs tors. theta energy: -201.347
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: 5
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -2311.780982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.780982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.776679 (E_RNA)
where:
Base-Base interactions energy: -1640.423
where: short stacking energy: -686.941
Base-Backbone interact. energy: -3.373
local terms energy: -677.980673
where:
bonds (distance) C4'-P energy: -126.635
bonds (distance) P-C4' energy: -111.723
flat angles C4'-P-C4' energy: -162.904
flat angles P-C4'-P energy: -81.128
tors. eta vs tors. theta energy: -195.591
Dist. restrs. and SS energy: 9.996 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -2269.696364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.696364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.366179 (E_RNA)
where:
Base-Base interactions energy: -1610.280
where: short stacking energy: -664.271
Base-Backbone interact. energy: -1.240
local terms energy: -664.846557
where:
bonds (distance) C4'-P energy: -115.429
bonds (distance) P-C4' energy: -118.393
flat angles C4'-P-C4' energy: -139.281
flat angles P-C4'-P energy: -94.884
tors. eta vs tors. theta energy: -196.859
Dist. restrs. and SS energy: 6.670 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -2088.302146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.302146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.971653 (E_RNA)
where:
Base-Base interactions energy: -1459.825
where: short stacking energy: -605.295
Base-Backbone interact. energy: -0.851
local terms energy: -639.296279
where:
bonds (distance) C4'-P energy: -115.310
bonds (distance) P-C4' energy: -120.414
flat angles C4'-P-C4' energy: -134.021
flat angles P-C4'-P energy: -88.977
tors. eta vs tors. theta energy: -180.575
Dist. restrs. and SS energy: 11.670 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -2076.415843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.415843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.728502 (E_RNA)
where:
Base-Base interactions energy: -1472.263
where: short stacking energy: -632.273
Base-Backbone interact. energy: -3.618
local terms energy: -612.846911
where:
bonds (distance) C4'-P energy: -105.295
bonds (distance) P-C4' energy: -114.236
flat angles C4'-P-C4' energy: -140.734
flat angles P-C4'-P energy: -81.465
tors. eta vs tors. theta energy: -171.117
Dist. restrs. and SS energy: 12.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -1910.788576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.788576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.879719 (E_RNA)
where:
Base-Base interactions energy: -1363.526
where: short stacking energy: -556.728
Base-Backbone interact. energy: -1.192
local terms energy: -568.162068
where:
bonds (distance) C4'-P energy: -102.368
bonds (distance) P-C4' energy: -109.260
flat angles C4'-P-C4' energy: -114.497
flat angles P-C4'-P energy: -75.282
tors. eta vs tors. theta energy: -166.755
Dist. restrs. and SS energy: 22.091 (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: 210
Temperature: 0.900000
Total energy: -2758.639374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.639374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.800079 (E_RNA)
where:
Base-Base interactions energy: -1946.005
where: short stacking energy: -832.486
Base-Backbone interact. energy: -2.588
local terms energy: -812.207251
where:
bonds (distance) C4'-P energy: -133.281
bonds (distance) P-C4' energy: -148.793
flat angles C4'-P-C4' energy: -161.881
flat angles P-C4'-P energy: -117.506
tors. eta vs tors. theta energy: -250.746
Dist. restrs. and SS energy: 2.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -2735.246382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.246382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.374880 (E_RNA)
where:
Base-Base interactions energy: -1918.719
where: short stacking energy: -812.615
Base-Backbone interact. energy: 1.201
local terms energy: -822.856475
where:
bonds (distance) C4'-P energy: -134.143
bonds (distance) P-C4' energy: -150.677
flat angles C4'-P-C4' energy: -166.220
flat angles P-C4'-P energy: -123.617
tors. eta vs tors. theta energy: -248.198
Dist. restrs. and SS energy: 5.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -2629.943641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.943641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.764119 (E_RNA)
where:
Base-Base interactions energy: -1873.668
where: short stacking energy: -787.920
Base-Backbone interact. energy: -3.751
local terms energy: -757.344627
where:
bonds (distance) C4'-P energy: -116.498
bonds (distance) P-C4' energy: -132.549
flat angles C4'-P-C4' energy: -166.102
flat angles P-C4'-P energy: -106.857
tors. eta vs tors. theta energy: -235.340
Dist. restrs. and SS energy: 4.820 (S_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: 210
Temperature: 1.050000
Total energy: -2580.388717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.388717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.321201 (E_RNA)
where:
Base-Base interactions energy: -1815.937
where: short stacking energy: -755.552
Base-Backbone interact. energy: -2.855
local terms energy: -766.529608
where:
bonds (distance) C4'-P energy: -130.825
bonds (distance) P-C4' energy: -124.957
flat angles C4'-P-C4' energy: -172.195
flat angles P-C4'-P energy: -103.505
tors. eta vs tors. theta energy: -235.047
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: 5, replica: 1
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -2415.933032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.933032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.941457 (E_RNA)
where:
Base-Base interactions energy: -1720.137
where: short stacking energy: -742.717
Base-Backbone interact. energy: 0.591
local terms energy: -702.395171
where:
bonds (distance) C4'-P energy: -120.003
bonds (distance) P-C4' energy: -129.796
flat angles C4'-P-C4' energy: -143.768
flat angles P-C4'-P energy: -85.780
tors. eta vs tors. theta energy: -223.047
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: 6, replica: 5
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -2319.599608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.599608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.533170 (E_RNA)
where:
Base-Base interactions energy: -1667.443
where: short stacking energy: -694.369
Base-Backbone interact. energy: 1.023
local terms energy: -665.113768
where:
bonds (distance) C4'-P energy: -123.788
bonds (distance) P-C4' energy: -102.200
flat angles C4'-P-C4' energy: -145.328
flat angles P-C4'-P energy: -92.564
tors. eta vs tors. theta energy: -201.234
Dist. restrs. and SS energy: 11.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -2226.186273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.186273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.024994 (E_RNA)
where:
Base-Base interactions energy: -1560.406
where: short stacking energy: -647.676
Base-Backbone interact. energy: -2.740
local terms energy: -672.879119
where:
bonds (distance) C4'-P energy: -123.377
bonds (distance) P-C4' energy: -123.237
flat angles C4'-P-C4' energy: -142.816
flat angles P-C4'-P energy: -105.495
tors. eta vs tors. theta energy: -177.955
Dist. restrs. and SS energy: 9.839 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -2097.372031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.372031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.749874 (E_RNA)
where:
Base-Base interactions energy: -1517.192
where: short stacking energy: -595.349
Base-Backbone interact. energy: -1.604
local terms energy: -587.953662
where:
bonds (distance) C4'-P energy: -92.048
bonds (distance) P-C4' energy: -107.719
flat angles C4'-P-C4' energy: -128.027
flat angles P-C4'-P energy: -93.636
tors. eta vs tors. theta energy: -166.524
Dist. restrs. and SS energy: 9.378 (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: 4
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -2118.101013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.101013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.327976 (E_RNA)
where:
Base-Base interactions energy: -1496.133
where: short stacking energy: -621.214
Base-Backbone interact. energy: 0.287
local terms energy: -636.482352
where:
bonds (distance) C4'-P energy: -97.513
bonds (distance) P-C4' energy: -126.370
flat angles C4'-P-C4' energy: -146.765
flat angles P-C4'-P energy: -98.643
tors. eta vs tors. theta energy: -167.191
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: 10, replica: 7
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -1882.433776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.433776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.675432 (E_RNA)
where:
Base-Base interactions energy: -1335.346
where: short stacking energy: -553.648
Base-Backbone interact. energy: -0.771
local terms energy: -567.558415
where:
bonds (distance) C4'-P energy: -96.095
bonds (distance) P-C4' energy: -120.717
flat angles C4'-P-C4' energy: -137.108
flat angles P-C4'-P energy: -64.560
tors. eta vs tors. theta energy: -149.078
Dist. restrs. and SS energy: 21.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -2759.663311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.663311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.742052 (E_RNA)
where:
Base-Base interactions energy: -1956.716
where: short stacking energy: -824.591
Base-Backbone interact. energy: -0.350
local terms energy: -805.675870
where:
bonds (distance) C4'-P energy: -138.688
bonds (distance) P-C4' energy: -137.540
flat angles C4'-P-C4' energy: -171.423
flat angles P-C4'-P energy: -113.766
tors. eta vs tors. theta energy: -244.260
Dist. restrs. and SS energy: 3.079 (S_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: 211
Temperature: 0.950000
Total energy: -2671.379803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.379803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.809604 (E_RNA)
where:
Base-Base interactions energy: -1871.245
where: short stacking energy: -810.265
Base-Backbone interact. energy: -2.315
local terms energy: -801.249547
where:
bonds (distance) C4'-P energy: -128.592
bonds (distance) P-C4' energy: -148.741
flat angles C4'-P-C4' energy: -165.651
flat angles P-C4'-P energy: -114.429
tors. eta vs tors. theta energy: -243.836
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: 3, replica: 8
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -2630.047684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.047684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.923115 (E_RNA)
where:
Base-Base interactions energy: -1874.100
where: short stacking energy: -787.158
Base-Backbone interact. energy: -0.529
local terms energy: -759.294578
where:
bonds (distance) C4'-P energy: -123.332
bonds (distance) P-C4' energy: -132.704
flat angles C4'-P-C4' energy: -156.521
flat angles P-C4'-P energy: -107.944
tors. eta vs tors. theta energy: -238.793
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: 4, replica: 3
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -2554.857962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.857962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.218363 (E_RNA)
where:
Base-Base interactions energy: -1776.169
where: short stacking energy: -749.187
Base-Backbone interact. energy: -3.668
local terms energy: -782.382032
where:
bonds (distance) C4'-P energy: -138.152
bonds (distance) P-C4' energy: -141.961
flat angles C4'-P-C4' energy: -145.866
flat angles P-C4'-P energy: -118.097
tors. eta vs tors. theta energy: -238.306
Dist. restrs. and SS energy: 7.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -2405.561347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.561347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.635718 (E_RNA)
where:
Base-Base interactions energy: -1676.775
where: short stacking energy: -697.855
Base-Backbone interact. energy: 0.367
local terms energy: -737.227230
where:
bonds (distance) C4'-P energy: -133.057
bonds (distance) P-C4' energy: -133.629
flat angles C4'-P-C4' energy: -152.604
flat angles P-C4'-P energy: -94.131
tors. eta vs tors. theta energy: -223.806
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: 6, replica: 5
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -2312.118053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.118053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.359835 (E_RNA)
where:
Base-Base interactions energy: -1630.221
where: short stacking energy: -701.606
Base-Backbone interact. energy: -2.280
local terms energy: -689.858639
where:
bonds (distance) C4'-P energy: -130.475
bonds (distance) P-C4' energy: -120.488
flat angles C4'-P-C4' energy: -143.353
flat angles P-C4'-P energy: -92.166
tors. eta vs tors. theta energy: -203.376
Dist. restrs. and SS energy: 10.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -2295.910275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.910275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.658380 (E_RNA)
where:
Base-Base interactions energy: -1647.737
where: short stacking energy: -721.431
Base-Backbone interact. energy: -0.187
local terms energy: -655.733619
where:
bonds (distance) C4'-P energy: -105.552
bonds (distance) P-C4' energy: -115.549
flat angles C4'-P-C4' energy: -151.211
flat angles P-C4'-P energy: -80.996
tors. eta vs tors. theta energy: -202.424
Dist. restrs. and SS energy: 7.748 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -2161.070248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.070248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.662250 (E_RNA)
where:
Base-Base interactions energy: -1509.661
where: short stacking energy: -600.829
Base-Backbone interact. energy: -1.543
local terms energy: -657.458250
where:
bonds (distance) C4'-P energy: -133.886
bonds (distance) P-C4' energy: -117.425
flat angles C4'-P-C4' energy: -144.525
flat angles P-C4'-P energy: -93.085
tors. eta vs tors. theta energy: -168.537
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: 9, replica: 9
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -2011.228047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.228047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.393090 (E_RNA)
where:
Base-Base interactions energy: -1425.679
where: short stacking energy: -597.239
Base-Backbone interact. energy: 0.956
local terms energy: -597.669696
where:
bonds (distance) C4'-P energy: -118.229
bonds (distance) P-C4' energy: -83.907
flat angles C4'-P-C4' energy: -135.024
flat angles P-C4'-P energy: -92.388
tors. eta vs tors. theta energy: -168.122
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: 10, replica: 7
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -1930.622958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.622958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.800623 (E_RNA)
where:
Base-Base interactions energy: -1384.766
where: short stacking energy: -583.409
Base-Backbone interact. energy: -2.945
local terms energy: -569.089379
where:
bonds (distance) C4'-P energy: -114.511
bonds (distance) P-C4' energy: -105.213
flat angles C4'-P-C4' energy: -113.194
flat angles P-C4'-P energy: -65.792
tors. eta vs tors. theta energy: -170.380
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: 1, replica: 10
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -2753.100938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.100938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2759.800591 (E_RNA)
where:
Base-Base interactions energy: -1925.258
where: short stacking energy: -817.886
Base-Backbone interact. energy: -1.547
local terms energy: -832.995582
where:
bonds (distance) C4'-P energy: -149.707
bonds (distance) P-C4' energy: -150.332
flat angles C4'-P-C4' energy: -164.469
flat angles P-C4'-P energy: -120.801
tors. eta vs tors. theta energy: -247.687
Dist. restrs. and SS energy: 6.700 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -2674.378993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.378993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.940989 (E_RNA)
where:
Base-Base interactions energy: -1901.961
where: short stacking energy: -816.625
Base-Backbone interact. energy: -3.256
local terms energy: -772.724839
where:
bonds (distance) C4'-P energy: -127.253
bonds (distance) P-C4' energy: -128.821
flat angles C4'-P-C4' energy: -166.643
flat angles P-C4'-P energy: -110.210
tors. eta vs tors. theta energy: -239.798
Dist. restrs. and SS energy: 3.562 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -2625.473691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.473691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.553265 (E_RNA)
where:
Base-Base interactions energy: -1865.938
where: short stacking energy: -775.789
Base-Backbone interact. energy: -1.361
local terms energy: -763.253732
where:
bonds (distance) C4'-P energy: -129.498
bonds (distance) P-C4' energy: -127.680
flat angles C4'-P-C4' energy: -166.857
flat angles P-C4'-P energy: -103.909
tors. eta vs tors. theta energy: -235.310
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: 3
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -2561.094921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.094921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.296310 (E_RNA)
where:
Base-Base interactions energy: -1793.477
where: short stacking energy: -750.826
Base-Backbone interact. energy: -1.803
local terms energy: -771.016603
where:
bonds (distance) C4'-P energy: -132.582
bonds (distance) P-C4' energy: -132.512
flat angles C4'-P-C4' energy: -148.237
flat angles P-C4'-P energy: -129.685
tors. eta vs tors. theta energy: -228.001
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: 5, replica: 1
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -2392.802521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.802521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.066203 (E_RNA)
where:
Base-Base interactions energy: -1663.986
where: short stacking energy: -707.687
Base-Backbone interact. energy: -2.140
local terms energy: -732.940348
where:
bonds (distance) C4'-P energy: -108.151
bonds (distance) P-C4' energy: -137.174
flat angles C4'-P-C4' energy: -157.419
flat angles P-C4'-P energy: -113.700
tors. eta vs tors. theta energy: -216.497
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: 6, replica: 5
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -2327.701543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.701543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.891055 (E_RNA)
where:
Base-Base interactions energy: -1662.512
where: short stacking energy: -701.602
Base-Backbone interact. energy: 7.250
local terms energy: -679.629769
where:
bonds (distance) C4'-P energy: -109.972
bonds (distance) P-C4' energy: -112.974
flat angles C4'-P-C4' energy: -146.759
flat angles P-C4'-P energy: -104.939
tors. eta vs tors. theta energy: -204.986
Dist. restrs. and SS energy: 7.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -2277.516773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.516773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.309805 (E_RNA)
where:
Base-Base interactions energy: -1608.679
where: short stacking energy: -656.951
Base-Backbone interact. energy: -5.367
local terms energy: -670.264075
where:
bonds (distance) C4'-P energy: -114.219
bonds (distance) P-C4' energy: -122.515
flat angles C4'-P-C4' energy: -150.486
flat angles P-C4'-P energy: -94.286
tors. eta vs tors. theta energy: -188.758
Dist. restrs. and SS energy: 6.793 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -2178.616690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.616690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.551889 (E_RNA)
where:
Base-Base interactions energy: -1526.364
where: short stacking energy: -634.364
Base-Backbone interact. energy: -1.941
local terms energy: -664.246829
where:
bonds (distance) C4'-P energy: -118.543
bonds (distance) P-C4' energy: -116.278
flat angles C4'-P-C4' energy: -151.589
flat angles P-C4'-P energy: -97.032
tors. eta vs tors. theta energy: -180.805
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: 9, replica: 9
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -2074.115465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.115465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.875455 (E_RNA)
where:
Base-Base interactions energy: -1434.795
where: short stacking energy: -579.289
Base-Backbone interact. energy: 1.933
local terms energy: -652.013488
where:
bonds (distance) C4'-P energy: -119.940
bonds (distance) P-C4' energy: -137.844
flat angles C4'-P-C4' energy: -141.142
flat angles P-C4'-P energy: -84.254
tors. eta vs tors. theta energy: -168.834
Dist. restrs. and SS energy: 10.760 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -1911.650135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.650135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.940116 (E_RNA)
where:
Base-Base interactions energy: -1340.447
where: short stacking energy: -556.092
Base-Backbone interact. energy: 5.974
local terms energy: -600.467330
where:
bonds (distance) C4'-P energy: -114.904
bonds (distance) P-C4' energy: -119.769
flat angles C4'-P-C4' energy: -132.413
flat angles P-C4'-P energy: -76.488
tors. eta vs tors. theta energy: -156.893
Dist. restrs. and SS energy: 23.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -2754.114733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.114733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.444749 (E_RNA)
where:
Base-Base interactions energy: -1948.226
where: short stacking energy: -854.654
Base-Backbone interact. energy: -3.183
local terms energy: -807.036224
where:
bonds (distance) C4'-P energy: -125.995
bonds (distance) P-C4' energy: -146.400
flat angles C4'-P-C4' energy: -179.495
flat angles P-C4'-P energy: -102.812
tors. eta vs tors. theta energy: -252.334
Dist. restrs. and SS energy: 4.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -2662.893491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.893491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.970477 (E_RNA)
where:
Base-Base interactions energy: -1837.394
where: short stacking energy: -793.847
Base-Backbone interact. energy: -0.720
local terms energy: -829.856508
where:
bonds (distance) C4'-P energy: -145.902
bonds (distance) P-C4' energy: -147.727
flat angles C4'-P-C4' energy: -180.953
flat angles P-C4'-P energy: -121.260
tors. eta vs tors. theta energy: -234.014
Dist. restrs. and SS energy: 5.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -2622.178078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.178078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.987592 (E_RNA)
where:
Base-Base interactions energy: -1852.552
where: short stacking energy: -765.825
Base-Backbone interact. energy: -3.424
local terms energy: -772.011131
where:
bonds (distance) C4'-P energy: -125.080
bonds (distance) P-C4' energy: -127.761
flat angles C4'-P-C4' energy: -168.426
flat angles P-C4'-P energy: -114.590
tors. eta vs tors. theta energy: -236.155
Dist. restrs. and SS energy: 5.810 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -2546.489989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.489989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.517782 (E_RNA)
where:
Base-Base interactions energy: -1800.663
where: short stacking energy: -736.934
Base-Backbone interact. energy: -1.938
local terms energy: -750.917119
where:
bonds (distance) C4'-P energy: -115.400
bonds (distance) P-C4' energy: -146.691
flat angles C4'-P-C4' energy: -151.946
flat angles P-C4'-P energy: -115.129
tors. eta vs tors. theta energy: -221.751
Dist. restrs. and SS energy: 7.028 (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: 1
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -2369.098151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.098151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.429175 (E_RNA)
where:
Base-Base interactions energy: -1690.826
where: short stacking energy: -710.796
Base-Backbone interact. energy: 3.068
local terms energy: -689.670662
where:
bonds (distance) C4'-P energy: -107.079
bonds (distance) P-C4' energy: -135.179
flat angles C4'-P-C4' energy: -152.629
flat angles P-C4'-P energy: -97.275
tors. eta vs tors. theta energy: -197.509
Dist. restrs. and SS energy: 8.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -2351.793257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.793257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.366211 (E_RNA)
where:
Base-Base interactions energy: -1651.531
where: short stacking energy: -693.662
Base-Backbone interact. energy: -2.325
local terms energy: -707.509934
where:
bonds (distance) C4'-P energy: -99.625
bonds (distance) P-C4' energy: -130.629
flat angles C4'-P-C4' energy: -166.979
flat angles P-C4'-P energy: -99.826
tors. eta vs tors. theta energy: -210.452
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: 7, replica: 6
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -2268.007021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.007021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.016710 (E_RNA)
where:
Base-Base interactions energy: -1605.364
where: short stacking energy: -658.263
Base-Backbone interact. energy: -4.398
local terms energy: -664.254461
where:
bonds (distance) C4'-P energy: -122.909
bonds (distance) P-C4' energy: -128.006
flat angles C4'-P-C4' energy: -140.737
flat angles P-C4'-P energy: -86.773
tors. eta vs tors. theta energy: -185.829
Dist. restrs. and SS energy: 6.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -2149.681193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.681193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.230988 (E_RNA)
where:
Base-Base interactions energy: -1534.107
where: short stacking energy: -620.749
Base-Backbone interact. energy: -3.352
local terms energy: -625.772625
where:
bonds (distance) C4'-P energy: -117.591
bonds (distance) P-C4' energy: -113.456
flat angles C4'-P-C4' energy: -138.283
flat angles P-C4'-P energy: -83.335
tors. eta vs tors. theta energy: -173.108
Dist. restrs. and SS energy: 13.550 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -2059.469145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.469145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.065110 (E_RNA)
where:
Base-Base interactions energy: -1438.146
where: short stacking energy: -601.668
Base-Backbone interact. energy: -0.596
local terms energy: -637.322843
where:
bonds (distance) C4'-P energy: -105.272
bonds (distance) P-C4' energy: -131.070
flat angles C4'-P-C4' energy: -139.705
flat angles P-C4'-P energy: -81.383
tors. eta vs tors. theta energy: -179.893
Dist. restrs. and SS energy: 16.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -1896.531685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.531685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.283271 (E_RNA)
where:
Base-Base interactions energy: -1347.677
where: short stacking energy: -561.322
Base-Backbone interact. energy: 5.181
local terms energy: -569.787422
where:
bonds (distance) C4'-P energy: -104.850
bonds (distance) P-C4' energy: -122.261
flat angles C4'-P-C4' energy: -129.685
flat angles P-C4'-P energy: -63.586
tors. eta vs tors. theta energy: -149.406
Dist. restrs. and SS energy: 15.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -2760.635560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2760.635560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2764.112321 (E_RNA)
where:
Base-Base interactions energy: -1953.344
where: short stacking energy: -804.703
Base-Backbone interact. energy: 0.846
local terms energy: -811.614587
where:
bonds (distance) C4'-P energy: -148.682
bonds (distance) P-C4' energy: -143.737
flat angles C4'-P-C4' energy: -166.040
flat angles P-C4'-P energy: -109.744
tors. eta vs tors. theta energy: -243.412
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: 2, replica: 2
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -2688.333932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.333932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.469519 (E_RNA)
where:
Base-Base interactions energy: -1871.535
where: short stacking energy: -811.924
Base-Backbone interact. energy: -4.527
local terms energy: -819.408117
where:
bonds (distance) C4'-P energy: -146.283
bonds (distance) P-C4' energy: -140.330
flat angles C4'-P-C4' energy: -169.758
flat angles P-C4'-P energy: -119.468
tors. eta vs tors. theta energy: -243.569
Dist. restrs. and SS energy: 7.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -2635.789427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.789427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.497298 (E_RNA)
where:
Base-Base interactions energy: -1877.317
where: short stacking energy: -783.635
Base-Backbone interact. energy: -5.486
local terms energy: -755.694831
where:
bonds (distance) C4'-P energy: -111.542
bonds (distance) P-C4' energy: -133.694
flat angles C4'-P-C4' energy: -165.367
flat angles P-C4'-P energy: -119.496
tors. eta vs tors. theta energy: -225.596
Dist. restrs. and SS energy: 2.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -2563.331902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.331902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.736246 (E_RNA)
where:
Base-Base interactions energy: -1794.774
where: short stacking energy: -760.595
Base-Backbone interact. energy: -2.496
local terms energy: -770.466642
where:
bonds (distance) C4'-P energy: -138.087
bonds (distance) P-C4' energy: -141.956
flat angles C4'-P-C4' energy: -165.331
flat angles P-C4'-P energy: -95.628
tors. eta vs tors. theta energy: -229.465
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: 5
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -2390.584930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.584930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.187278 (E_RNA)
where:
Base-Base interactions energy: -1689.336
where: short stacking energy: -732.330
Base-Backbone interact. energy: -0.148
local terms energy: -710.703345
where:
bonds (distance) C4'-P energy: -119.314
bonds (distance) P-C4' energy: -134.964
flat angles C4'-P-C4' energy: -149.568
flat angles P-C4'-P energy: -96.047
tors. eta vs tors. theta energy: -210.811
Dist. restrs. and SS energy: 9.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -2318.017790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.017790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.005205 (E_RNA)
where:
Base-Base interactions energy: -1642.239
where: short stacking energy: -697.562
Base-Backbone interact. energy: 1.998
local terms energy: -686.764116
where:
bonds (distance) C4'-P energy: -125.206
bonds (distance) P-C4' energy: -112.225
flat angles C4'-P-C4' energy: -149.583
flat angles P-C4'-P energy: -95.358
tors. eta vs tors. theta energy: -204.392
Dist. restrs. and SS energy: 8.987 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -2181.697944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.697944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.361401 (E_RNA)
where:
Base-Base interactions energy: -1520.525
where: short stacking energy: -655.626
Base-Backbone interact. energy: -1.560
local terms energy: -679.276732
where:
bonds (distance) C4'-P energy: -129.295
bonds (distance) P-C4' energy: -126.854
flat angles C4'-P-C4' energy: -141.130
flat angles P-C4'-P energy: -91.189
tors. eta vs tors. theta energy: -190.809
Dist. restrs. and SS energy: 19.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -2183.338122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.338122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.758007 (E_RNA)
where:
Base-Base interactions energy: -1532.694
where: short stacking energy: -631.576
Base-Backbone interact. energy: 2.559
local terms energy: -665.623164
where:
bonds (distance) C4'-P energy: -131.982
bonds (distance) P-C4' energy: -113.295
flat angles C4'-P-C4' energy: -135.808
flat angles P-C4'-P energy: -102.126
tors. eta vs tors. theta energy: -182.412
Dist. restrs. and SS energy: 12.420 (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: 9
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -2096.498277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.498277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.400152 (E_RNA)
where:
Base-Base interactions energy: -1478.221
where: short stacking energy: -614.550
Base-Backbone interact. energy: -2.284
local terms energy: -621.895678
where:
bonds (distance) C4'-P energy: -102.502
bonds (distance) P-C4' energy: -135.514
flat angles C4'-P-C4' energy: -122.741
flat angles P-C4'-P energy: -93.858
tors. eta vs tors. theta energy: -167.280
Dist. restrs. and SS energy: 5.902 (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: 7
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -1945.090781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.090781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.011316 (E_RNA)
where:
Base-Base interactions energy: -1389.305
where: short stacking energy: -561.690
Base-Backbone interact. energy: 2.425
local terms energy: -577.131648
where:
bonds (distance) C4'-P energy: -119.144
bonds (distance) P-C4' energy: -100.499
flat angles C4'-P-C4' energy: -147.764
flat angles P-C4'-P energy: -59.109
tors. eta vs tors. theta energy: -150.615
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: 10
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -2749.481891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2749.481891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.770701 (E_RNA)
where:
Base-Base interactions energy: -1926.080
where: short stacking energy: -822.604
Base-Backbone interact. energy: -4.750
local terms energy: -822.939968
where:
bonds (distance) C4'-P energy: -144.743
bonds (distance) P-C4' energy: -149.494
flat angles C4'-P-C4' energy: -170.682
flat angles P-C4'-P energy: -120.455
tors. eta vs tors. theta energy: -237.565
Dist. restrs. and SS energy: 4.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -2698.615476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.615476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.294081 (E_RNA)
where:
Base-Base interactions energy: -1890.217
where: short stacking energy: -776.560
Base-Backbone interact. energy: -0.627
local terms energy: -811.450252
where:
bonds (distance) C4'-P energy: -147.624
bonds (distance) P-C4' energy: -147.018
flat angles C4'-P-C4' energy: -178.356
flat angles P-C4'-P energy: -109.531
tors. eta vs tors. theta energy: -228.921
Dist. restrs. and SS energy: 3.679 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -2632.313596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.313596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.898220 (E_RNA)
where:
Base-Base interactions energy: -1839.758
where: short stacking energy: -775.751
Base-Backbone interact. energy: -2.476
local terms energy: -793.664121
where:
bonds (distance) C4'-P energy: -141.157
bonds (distance) P-C4' energy: -136.550
flat angles C4'-P-C4' energy: -166.165
flat angles P-C4'-P energy: -113.116
tors. eta vs tors. theta energy: -236.676
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: 4, replica: 3
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -2538.667525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.667525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.222884 (E_RNA)
where:
Base-Base interactions energy: -1792.645
where: short stacking energy: -747.842
Base-Backbone interact. energy: -1.426
local terms energy: -750.152494
where:
bonds (distance) C4'-P energy: -126.254
bonds (distance) P-C4' energy: -132.374
flat angles C4'-P-C4' energy: -151.151
flat angles P-C4'-P energy: -112.239
tors. eta vs tors. theta energy: -228.134
Dist. restrs. and SS energy: 5.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -2402.208924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.208924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.361013 (E_RNA)
where:
Base-Base interactions energy: -1702.479
where: short stacking energy: -720.918
Base-Backbone interact. energy: -1.864
local terms energy: -708.017617
where:
bonds (distance) C4'-P energy: -127.805
bonds (distance) P-C4' energy: -121.985
flat angles C4'-P-C4' energy: -150.024
flat angles P-C4'-P energy: -102.312
tors. eta vs tors. theta energy: -205.891
Dist. restrs. and SS energy: 10.152 (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: 1
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -2351.199936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.199936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.315110 (E_RNA)
where:
Base-Base interactions energy: -1629.989
where: short stacking energy: -692.163
Base-Backbone interact. energy: 4.932
local terms energy: -732.257867
where:
bonds (distance) C4'-P energy: -117.434
bonds (distance) P-C4' energy: -136.430
flat angles C4'-P-C4' energy: -160.945
flat angles P-C4'-P energy: -107.792
tors. eta vs tors. theta energy: -209.656
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: 7, replica: 4
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -2197.917595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.917595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.464181 (E_RNA)
where:
Base-Base interactions energy: -1563.365
where: short stacking energy: -645.498
Base-Backbone interact. energy: 1.634
local terms energy: -647.733321
where:
bonds (distance) C4'-P energy: -131.975
bonds (distance) P-C4' energy: -115.244
flat angles C4'-P-C4' energy: -135.136
flat angles P-C4'-P energy: -86.673
tors. eta vs tors. theta energy: -178.705
Dist. restrs. and SS energy: 11.547 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -2193.959384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.959384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.846002 (E_RNA)
where:
Base-Base interactions energy: -1545.747
where: short stacking energy: -620.068
Base-Backbone interact. energy: -3.821
local terms energy: -654.277908
where:
bonds (distance) C4'-P energy: -100.898
bonds (distance) P-C4' energy: -116.365
flat angles C4'-P-C4' energy: -162.097
flat angles P-C4'-P energy: -93.878
tors. eta vs tors. theta energy: -181.040
Dist. restrs. and SS energy: 9.887 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -2018.165644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.165644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.647347 (E_RNA)
where:
Base-Base interactions energy: -1428.773
where: short stacking energy: -591.146
Base-Backbone interact. energy: 0.297
local terms energy: -597.171513
where:
bonds (distance) C4'-P energy: -111.848
bonds (distance) P-C4' energy: -103.622
flat angles C4'-P-C4' energy: -132.420
flat angles P-C4'-P energy: -92.321
tors. eta vs tors. theta energy: -156.960
Dist. restrs. and SS energy: 7.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -1899.663052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.663052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.285938 (E_RNA)
where:
Base-Base interactions energy: -1313.463
where: short stacking energy: -536.790
Base-Backbone interact. energy: -0.233
local terms energy: -600.590772
where:
bonds (distance) C4'-P energy: -111.520
bonds (distance) P-C4' energy: -115.876
flat angles C4'-P-C4' energy: -123.493
flat angles P-C4'-P energy: -101.066
tors. eta vs tors. theta energy: -148.636
Dist. restrs. and SS energy: 14.623 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -2759.997602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.997602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2763.233742 (E_RNA)
where:
Base-Base interactions energy: -1940.664
where: short stacking energy: -821.468
Base-Backbone interact. energy: -4.459
local terms energy: -818.110568
where:
bonds (distance) C4'-P energy: -156.180
bonds (distance) P-C4' energy: -148.410
flat angles C4'-P-C4' energy: -164.580
flat angles P-C4'-P energy: -107.173
tors. eta vs tors. theta energy: -241.768
Dist. restrs. and SS energy: 3.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -2744.449765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2744.449765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.880737 (E_RNA)
where:
Base-Base interactions energy: -1918.095
where: short stacking energy: -797.981
Base-Backbone interact. energy: -5.524
local terms energy: -824.261546
where:
bonds (distance) C4'-P energy: -158.403
bonds (distance) P-C4' energy: -144.034
flat angles C4'-P-C4' energy: -171.093
flat angles P-C4'-P energy: -112.327
tors. eta vs tors. theta energy: -238.405
Dist. restrs. and SS energy: 3.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -2611.339121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.339121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.071424 (E_RNA)
where:
Base-Base interactions energy: -1822.849
where: short stacking energy: -754.568
Base-Backbone interact. energy: -2.201
local terms energy: -792.021703
where:
bonds (distance) C4'-P energy: -141.394
bonds (distance) P-C4' energy: -151.536
flat angles C4'-P-C4' energy: -157.609
flat angles P-C4'-P energy: -116.050
tors. eta vs tors. theta energy: -225.432
Dist. restrs. and SS energy: 5.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -2566.677622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.677622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.834962 (E_RNA)
where:
Base-Base interactions energy: -1815.413
where: short stacking energy: -767.466
Base-Backbone interact. energy: 0.039
local terms energy: -759.460883
where:
bonds (distance) C4'-P energy: -141.348
bonds (distance) P-C4' energy: -134.123
flat angles C4'-P-C4' energy: -156.547
flat angles P-C4'-P energy: -97.092
tors. eta vs tors. theta energy: -230.351
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: 5, replica: 1
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -2382.805509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.805509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.091702 (E_RNA)
where:
Base-Base interactions energy: -1678.110
where: short stacking energy: -702.021
Base-Backbone interact. energy: 0.406
local terms energy: -709.387333
where:
bonds (distance) C4'-P energy: -119.670
bonds (distance) P-C4' energy: -137.364
flat angles C4'-P-C4' energy: -146.855
flat angles P-C4'-P energy: -96.247
tors. eta vs tors. theta energy: -209.251
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: 6, replica: 5
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -2315.834105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.834105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.419005 (E_RNA)
where:
Base-Base interactions energy: -1625.529
where: short stacking energy: -672.503
Base-Backbone interact. energy: -0.641
local terms energy: -697.248500
where:
bonds (distance) C4'-P energy: -136.114
bonds (distance) P-C4' energy: -127.971
flat angles C4'-P-C4' energy: -153.813
flat angles P-C4'-P energy: -95.690
tors. eta vs tors. theta energy: -183.661
Dist. restrs. and SS energy: 7.585 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -2185.487342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.487342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.615584 (E_RNA)
where:
Base-Base interactions energy: -1513.828
where: short stacking energy: -640.840
Base-Backbone interact. energy: 3.020
local terms energy: -687.807387
where:
bonds (distance) C4'-P energy: -117.802
bonds (distance) P-C4' energy: -135.845
flat angles C4'-P-C4' energy: -155.598
flat angles P-C4'-P energy: -81.372
tors. eta vs tors. theta energy: -197.190
Dist. restrs. and SS energy: 13.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -2177.804872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.804872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.563310 (E_RNA)
where:
Base-Base interactions energy: -1516.675
where: short stacking energy: -630.466
Base-Backbone interact. energy: 2.895
local terms energy: -670.783320
where:
bonds (distance) C4'-P energy: -124.913
bonds (distance) P-C4' energy: -138.260
flat angles C4'-P-C4' energy: -142.030
flat angles P-C4'-P energy: -79.125
tors. eta vs tors. theta energy: -186.455
Dist. restrs. and SS energy: 6.758 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -2049.707115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.707115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.429679 (E_RNA)
where:
Base-Base interactions energy: -1461.736
where: short stacking energy: -584.560
Base-Backbone interact. energy: 0.028
local terms energy: -598.721537
where:
bonds (distance) C4'-P energy: -115.894
bonds (distance) P-C4' energy: -103.682
flat angles C4'-P-C4' energy: -135.324
flat angles P-C4'-P energy: -82.073
tors. eta vs tors. theta energy: -161.749
Dist. restrs. and SS energy: 10.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -1901.681791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.681791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.053942 (E_RNA)
where:
Base-Base interactions energy: -1356.086
where: short stacking energy: -544.395
Base-Backbone interact. energy: 1.580
local terms energy: -565.548123
where:
bonds (distance) C4'-P energy: -107.898
bonds (distance) P-C4' energy: -109.566
flat angles C4'-P-C4' energy: -137.483
flat angles P-C4'-P energy: -57.271
tors. eta vs tors. theta energy: -153.330
Dist. restrs. and SS energy: 18.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -2743.078955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2743.078955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.371406 (E_RNA)
where:
Base-Base interactions energy: -1900.150
where: short stacking energy: -818.754
Base-Backbone interact. energy: -4.093
local terms energy: -844.128340
where:
bonds (distance) C4'-P energy: -144.617
bonds (distance) P-C4' energy: -154.386
flat angles C4'-P-C4' energy: -178.295
flat angles P-C4'-P energy: -116.357
tors. eta vs tors. theta energy: -250.474
Dist. restrs. and SS energy: 5.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -2717.710302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.710302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.300152 (E_RNA)
where:
Base-Base interactions energy: -1898.368
where: short stacking energy: -803.384
Base-Backbone interact. energy: -1.761
local terms energy: -819.170803
where:
bonds (distance) C4'-P energy: -142.222
bonds (distance) P-C4' energy: -143.778
flat angles C4'-P-C4' energy: -165.053
flat angles P-C4'-P energy: -129.950
tors. eta vs tors. theta energy: -238.167
Dist. restrs. and SS energy: 1.590 (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: 217
Temperature: 1.000000
Total energy: -2594.984854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.984854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.432431 (E_RNA)
where:
Base-Base interactions energy: -1825.436
where: short stacking energy: -771.177
Base-Backbone interact. energy: -1.253
local terms energy: -773.743487
where:
bonds (distance) C4'-P energy: -128.951
bonds (distance) P-C4' energy: -140.520
flat angles C4'-P-C4' energy: -165.343
flat angles P-C4'-P energy: -111.715
tors. eta vs tors. theta energy: -227.214
Dist. restrs. and SS energy: 5.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -2551.951334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.951334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.916659 (E_RNA)
where:
Base-Base interactions energy: -1775.229
where: short stacking energy: -773.860
Base-Backbone interact. energy: -1.378
local terms energy: -781.309567
where:
bonds (distance) C4'-P energy: -134.768
bonds (distance) P-C4' energy: -129.031
flat angles C4'-P-C4' energy: -163.057
flat angles P-C4'-P energy: -116.823
tors. eta vs tors. theta energy: -237.630
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: 5, replica: 1
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -2436.120030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.120030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.116205 (E_RNA)
where:
Base-Base interactions energy: -1683.295
where: short stacking energy: -740.264
Base-Backbone interact. energy: -1.852
local terms energy: -757.969289
where:
bonds (distance) C4'-P energy: -129.570
bonds (distance) P-C4' energy: -146.893
flat angles C4'-P-C4' energy: -155.486
flat angles P-C4'-P energy: -102.588
tors. eta vs tors. theta energy: -223.433
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: 6, replica: 5
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -2308.275758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.275758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.146755 (E_RNA)
where:
Base-Base interactions energy: -1648.537
where: short stacking energy: -675.633
Base-Backbone interact. energy: -1.357
local terms energy: -668.252523
where:
bonds (distance) C4'-P energy: -104.709
bonds (distance) P-C4' energy: -127.755
flat angles C4'-P-C4' energy: -134.704
flat angles P-C4'-P energy: -100.593
tors. eta vs tors. theta energy: -200.492
Dist. restrs. and SS energy: 9.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -2183.889034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.889034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.315185 (E_RNA)
where:
Base-Base interactions energy: -1574.351
where: short stacking energy: -663.295
Base-Backbone interact. energy: -1.941
local terms energy: -628.022982
where:
bonds (distance) C4'-P energy: -127.253
bonds (distance) P-C4' energy: -111.505
flat angles C4'-P-C4' energy: -138.609
flat angles P-C4'-P energy: -61.682
tors. eta vs tors. theta energy: -188.974
Dist. restrs. and SS energy: 20.426 (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: 6
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -2182.715138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.715138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.408367 (E_RNA)
where:
Base-Base interactions energy: -1545.374
where: short stacking energy: -669.531
Base-Backbone interact. energy: 4.050
local terms energy: -649.084803
where:
bonds (distance) C4'-P energy: -112.355
bonds (distance) P-C4' energy: -102.526
flat angles C4'-P-C4' energy: -140.991
flat angles P-C4'-P energy: -103.603
tors. eta vs tors. theta energy: -189.609
Dist. restrs. and SS energy: 7.693 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -2097.693113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.693113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.546815 (E_RNA)
where:
Base-Base interactions energy: -1469.628
where: short stacking energy: -605.231
Base-Backbone interact. energy: -2.154
local terms energy: -634.764303
where:
bonds (distance) C4'-P energy: -109.025
bonds (distance) P-C4' energy: -119.463
flat angles C4'-P-C4' energy: -137.638
flat angles P-C4'-P energy: -89.876
tors. eta vs tors. theta energy: -178.762
Dist. restrs. and SS energy: 8.854 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -1905.016196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.016196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.926134 (E_RNA)
where:
Base-Base interactions energy: -1334.032
where: short stacking energy: -543.014
Base-Backbone interact. energy: 0.390
local terms energy: -585.283685
where:
bonds (distance) C4'-P energy: -119.317
bonds (distance) P-C4' energy: -120.610
flat angles C4'-P-C4' energy: -108.381
flat angles P-C4'-P energy: -82.300
tors. eta vs tors. theta energy: -154.676
Dist. restrs. and SS energy: 13.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -2744.531562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2744.531562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.866606 (E_RNA)
where:
Base-Base interactions energy: -1932.256
where: short stacking energy: -814.192
Base-Backbone interact. energy: -0.124
local terms energy: -815.486701
where:
bonds (distance) C4'-P energy: -141.225
bonds (distance) P-C4' energy: -145.643
flat angles C4'-P-C4' energy: -165.033
flat angles P-C4'-P energy: -116.918
tors. eta vs tors. theta energy: -246.668
Dist. restrs. and SS energy: 3.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -2693.366936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.366936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.690810 (E_RNA)
where:
Base-Base interactions energy: -1880.918
where: short stacking energy: -784.177
Base-Backbone interact. energy: -3.710
local terms energy: -810.062734
where:
bonds (distance) C4'-P energy: -143.247
bonds (distance) P-C4' energy: -156.946
flat angles C4'-P-C4' energy: -160.796
flat angles P-C4'-P energy: -119.472
tors. eta vs tors. theta energy: -229.601
Dist. restrs. and SS energy: 1.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -2585.925415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.925415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.582248 (E_RNA)
where:
Base-Base interactions energy: -1809.142
where: short stacking energy: -746.918
Base-Backbone interact. energy: -2.861
local terms energy: -785.579451
where:
bonds (distance) C4'-P energy: -135.142
bonds (distance) P-C4' energy: -147.790
flat angles C4'-P-C4' energy: -168.245
flat angles P-C4'-P energy: -104.641
tors. eta vs tors. theta energy: -229.761
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: 4, replica: 2
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -2533.911560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.911560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.194943 (E_RNA)
where:
Base-Base interactions energy: -1810.059
where: short stacking energy: -743.930
Base-Backbone interact. energy: 4.119
local terms energy: -732.255113
where:
bonds (distance) C4'-P energy: -114.973
bonds (distance) P-C4' energy: -127.294
flat angles C4'-P-C4' energy: -155.213
flat angles P-C4'-P energy: -116.301
tors. eta vs tors. theta energy: -218.474
Dist. restrs. and SS energy: 4.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -2397.516133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.516133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.783918 (E_RNA)
where:
Base-Base interactions energy: -1673.020
where: short stacking energy: -707.283
Base-Backbone interact. energy: -0.982
local terms energy: -727.782548
where:
bonds (distance) C4'-P energy: -125.930
bonds (distance) P-C4' energy: -116.662
flat angles C4'-P-C4' energy: -165.090
flat angles P-C4'-P energy: -107.839
tors. eta vs tors. theta energy: -212.261
Dist. restrs. and SS energy: 4.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -2308.248755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.248755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.759130 (E_RNA)
where:
Base-Base interactions energy: -1629.394
where: short stacking energy: -688.134
Base-Backbone interact. energy: -3.512
local terms energy: -684.852870
where:
bonds (distance) C4'-P energy: -124.771
bonds (distance) P-C4' energy: -128.442
flat angles C4'-P-C4' energy: -151.615
flat angles P-C4'-P energy: -91.410
tors. eta vs tors. theta energy: -188.616
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: 7, replica: 6
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -2253.138442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.138442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.071229 (E_RNA)
where:
Base-Base interactions energy: -1587.654
where: short stacking energy: -664.615
Base-Backbone interact. energy: -2.080
local terms energy: -674.337851
where:
bonds (distance) C4'-P energy: -128.218
bonds (distance) P-C4' energy: -110.798
flat angles C4'-P-C4' energy: -157.973
flat angles P-C4'-P energy: -80.645
tors. eta vs tors. theta energy: -196.703
Dist. restrs. and SS energy: 10.933 (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: 4
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -2155.858162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.858162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.903635 (E_RNA)
where:
Base-Base interactions energy: -1500.824
where: short stacking energy: -630.010
Base-Backbone interact. energy: 1.328
local terms energy: -668.407626
where:
bonds (distance) C4'-P energy: -133.777
bonds (distance) P-C4' energy: -116.418
flat angles C4'-P-C4' energy: -147.260
flat angles P-C4'-P energy: -82.910
tors. eta vs tors. theta energy: -188.043
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: 9, replica: 9
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -2029.393325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.393325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.276352 (E_RNA)
where:
Base-Base interactions energy: -1458.506
where: short stacking energy: -587.358
Base-Backbone interact. energy: -2.010
local terms energy: -578.760588
where:
bonds (distance) C4'-P energy: -119.141
bonds (distance) P-C4' energy: -107.932
flat angles C4'-P-C4' energy: -127.071
flat angles P-C4'-P energy: -72.832
tors. eta vs tors. theta energy: -151.785
Dist. restrs. and SS energy: 9.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -1904.849404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.849404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.125710 (E_RNA)
where:
Base-Base interactions energy: -1348.539
where: short stacking energy: -557.189
Base-Backbone interact. energy: 0.553
local terms energy: -585.139369
where:
bonds (distance) C4'-P energy: -102.354
bonds (distance) P-C4' energy: -140.616
flat angles C4'-P-C4' energy: -121.492
flat angles P-C4'-P energy: -71.529
tors. eta vs tors. theta energy: -149.148
Dist. restrs. and SS energy: 28.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -2740.346864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.346864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.538511 (E_RNA)
where:
Base-Base interactions energy: -1924.708
where: short stacking energy: -819.098
Base-Backbone interact. energy: -2.816
local terms energy: -816.015156
where:
bonds (distance) C4'-P energy: -140.943
bonds (distance) P-C4' energy: -157.718
flat angles C4'-P-C4' energy: -160.320
flat angles P-C4'-P energy: -113.487
tors. eta vs tors. theta energy: -243.547
Dist. restrs. and SS energy: 3.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -2679.325887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.325887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.555446 (E_RNA)
where:
Base-Base interactions energy: -1870.249
where: short stacking energy: -770.663
Base-Backbone interact. energy: -5.082
local terms energy: -807.224489
where:
bonds (distance) C4'-P energy: -125.295
bonds (distance) P-C4' energy: -146.310
flat angles C4'-P-C4' energy: -173.402
flat angles P-C4'-P energy: -126.869
tors. eta vs tors. theta energy: -235.348
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: 3, replica: 3
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -2617.219467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.219467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.482603 (E_RNA)
where:
Base-Base interactions energy: -1837.888
where: short stacking energy: -774.760
Base-Backbone interact. energy: -1.531
local terms energy: -781.063842
where:
bonds (distance) C4'-P energy: -139.996
bonds (distance) P-C4' energy: -144.305
flat angles C4'-P-C4' energy: -154.484
flat angles P-C4'-P energy: -108.456
tors. eta vs tors. theta energy: -233.824
Dist. restrs. and SS energy: 3.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -2543.235156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.235156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.114517 (E_RNA)
where:
Base-Base interactions energy: -1775.079
where: short stacking energy: -747.004
Base-Backbone interact. energy: -5.161
local terms energy: -766.874297
where:
bonds (distance) C4'-P energy: -146.749
bonds (distance) P-C4' energy: -132.156
flat angles C4'-P-C4' energy: -152.679
flat angles P-C4'-P energy: -112.431
tors. eta vs tors. theta energy: -222.860
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: 5, replica: 1
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -2408.029320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.029320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.767747 (E_RNA)
where:
Base-Base interactions energy: -1679.647
where: short stacking energy: -707.141
Base-Backbone interact. energy: -2.593
local terms energy: -733.528127
where:
bonds (distance) C4'-P energy: -143.521
bonds (distance) P-C4' energy: -119.473
flat angles C4'-P-C4' energy: -164.112
flat angles P-C4'-P energy: -93.551
tors. eta vs tors. theta energy: -212.871
Dist. restrs. and SS energy: 7.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -2344.921541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.921541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.540038 (E_RNA)
where:
Base-Base interactions energy: -1640.276
where: short stacking energy: -668.911
Base-Backbone interact. energy: -4.032
local terms energy: -709.232217
where:
bonds (distance) C4'-P energy: -125.135
bonds (distance) P-C4' energy: -129.449
flat angles C4'-P-C4' energy: -155.894
flat angles P-C4'-P energy: -96.474
tors. eta vs tors. theta energy: -202.280
Dist. restrs. and SS energy: 8.618 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -2270.836335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.836335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.223367 (E_RNA)
where:
Base-Base interactions energy: -1596.335
where: short stacking energy: -672.156
Base-Backbone interact. energy: 0.697
local terms energy: -679.585621
where:
bonds (distance) C4'-P energy: -105.723
bonds (distance) P-C4' energy: -122.276
flat angles C4'-P-C4' energy: -157.299
flat angles P-C4'-P energy: -92.979
tors. eta vs tors. theta energy: -201.309
Dist. restrs. and SS energy: 4.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -2107.856824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.856824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.701571 (E_RNA)
where:
Base-Base interactions energy: -1497.781
where: short stacking energy: -642.728
Base-Backbone interact. energy: 5.273
local terms energy: -630.194314
where:
bonds (distance) C4'-P energy: -98.107
bonds (distance) P-C4' energy: -125.159
flat angles C4'-P-C4' energy: -141.157
flat angles P-C4'-P energy: -86.705
tors. eta vs tors. theta energy: -179.065
Dist. restrs. and SS energy: 14.845 (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: 9
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -2042.561607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.561607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.782350 (E_RNA)
where:
Base-Base interactions energy: -1412.542
where: short stacking energy: -592.424
Base-Backbone interact. energy: 1.337
local terms energy: -643.577394
where:
bonds (distance) C4'-P energy: -113.760
bonds (distance) P-C4' energy: -116.250
flat angles C4'-P-C4' energy: -153.290
flat angles P-C4'-P energy: -90.647
tors. eta vs tors. theta energy: -169.630
Dist. restrs. and SS energy: 12.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -1952.599271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.599271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.189925 (E_RNA)
where:
Base-Base interactions energy: -1396.432
where: short stacking energy: -569.089
Base-Backbone interact. energy: 3.219
local terms energy: -587.976872
where:
bonds (distance) C4'-P energy: -101.634
bonds (distance) P-C4' energy: -113.294
flat angles C4'-P-C4' energy: -125.000
flat angles P-C4'-P energy: -95.422
tors. eta vs tors. theta energy: -152.627
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: 1, replica: 10
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -2753.804783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.804783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.891454 (E_RNA)
where:
Base-Base interactions energy: -1915.843
where: short stacking energy: -824.937
Base-Backbone interact. energy: -1.659
local terms energy: -841.390147
where:
bonds (distance) C4'-P energy: -135.432
bonds (distance) P-C4' energy: -153.589
flat angles C4'-P-C4' energy: -181.883
flat angles P-C4'-P energy: -120.960
tors. eta vs tors. theta energy: -249.526
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: 2, replica: 8
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -2696.551788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.551788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.059032 (E_RNA)
where:
Base-Base interactions energy: -1893.014
where: short stacking energy: -806.843
Base-Backbone interact. energy: -3.562
local terms energy: -802.482265
where:
bonds (distance) C4'-P energy: -141.173
bonds (distance) P-C4' energy: -135.505
flat angles C4'-P-C4' energy: -169.442
flat angles P-C4'-P energy: -124.901
tors. eta vs tors. theta energy: -231.462
Dist. restrs. and SS energy: 2.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -2636.775117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.775117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.246815 (E_RNA)
where:
Base-Base interactions energy: -1851.934
where: short stacking energy: -777.523
Base-Backbone interact. energy: -0.532
local terms energy: -788.780705
where:
bonds (distance) C4'-P energy: -136.536
bonds (distance) P-C4' energy: -132.534
flat angles C4'-P-C4' energy: -169.694
flat angles P-C4'-P energy: -108.297
tors. eta vs tors. theta energy: -241.720
Dist. restrs. and SS energy: 4.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -2544.105135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.105135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.922315 (E_RNA)
where:
Base-Base interactions energy: -1784.660
where: short stacking energy: -754.611
Base-Backbone interact. energy: -0.556
local terms energy: -767.706118
where:
bonds (distance) C4'-P energy: -121.347
bonds (distance) P-C4' energy: -135.760
flat angles C4'-P-C4' energy: -166.660
flat angles P-C4'-P energy: -106.889
tors. eta vs tors. theta energy: -237.049
Dist. restrs. and SS energy: 8.817 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -2421.881549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.881549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.552017 (E_RNA)
where:
Base-Base interactions energy: -1691.553
where: short stacking energy: -708.923
Base-Backbone interact. energy: -1.488
local terms energy: -736.511378
where:
bonds (distance) C4'-P energy: -133.454
bonds (distance) P-C4' energy: -140.781
flat angles C4'-P-C4' energy: -142.402
flat angles P-C4'-P energy: -99.181
tors. eta vs tors. theta energy: -220.694
Dist. restrs. and SS energy: 7.670 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -2318.701640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.701640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.205731 (E_RNA)
where:
Base-Base interactions energy: -1609.417
where: short stacking energy: -663.087
Base-Backbone interact. energy: 0.446
local terms energy: -716.235310
where:
bonds (distance) C4'-P energy: -128.112
bonds (distance) P-C4' energy: -148.632
flat angles C4'-P-C4' energy: -143.561
flat angles P-C4'-P energy: -101.329
tors. eta vs tors. theta energy: -194.601
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: 7, replica: 6
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -2264.146624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.146624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.408682 (E_RNA)
where:
Base-Base interactions energy: -1565.007
where: short stacking energy: -672.450
Base-Backbone interact. energy: 2.233
local terms energy: -711.634435
where:
bonds (distance) C4'-P energy: -118.632
bonds (distance) P-C4' energy: -129.022
flat angles C4'-P-C4' energy: -161.945
flat angles P-C4'-P energy: -99.739
tors. eta vs tors. theta energy: -202.296
Dist. restrs. and SS energy: 10.262 (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: 220
Temperature: 1.250000
Total energy: -2140.125320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.125320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.006296 (E_RNA)
where:
Base-Base interactions energy: -1503.884
where: short stacking energy: -647.785
Base-Backbone interact. energy: -1.035
local terms energy: -651.086886
where:
bonds (distance) C4'-P energy: -126.658
bonds (distance) P-C4' energy: -110.442
flat angles C4'-P-C4' energy: -150.490
flat angles P-C4'-P energy: -87.641
tors. eta vs tors. theta energy: -175.857
Dist. restrs. and SS energy: 15.881 (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: 7
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -2000.283370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.283370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.822712 (E_RNA)
where:
Base-Base interactions energy: -1411.263
where: short stacking energy: -612.165
Base-Backbone interact. energy: -2.467
local terms energy: -615.093199
where:
bonds (distance) C4'-P energy: -97.197
bonds (distance) P-C4' energy: -129.742
flat angles C4'-P-C4' energy: -122.998
flat angles P-C4'-P energy: -92.303
tors. eta vs tors. theta energy: -172.853
Dist. restrs. and SS energy: 28.539 (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: 9
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -1991.084762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.084762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.194393 (E_RNA)
where:
Base-Base interactions energy: -1436.847
where: short stacking energy: -579.929
Base-Backbone interact. energy: 2.768
local terms energy: -568.115034
where:
bonds (distance) C4'-P energy: -97.821
bonds (distance) P-C4' energy: -122.217
flat angles C4'-P-C4' energy: -132.666
flat angles P-C4'-P energy: -57.874
tors. eta vs tors. theta energy: -157.537
Dist. restrs. and SS energy: 11.110 (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: 221
Temperature: 0.900000
Total energy: -2765.392954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2765.392954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2769.523685 (E_RNA)
where:
Base-Base interactions energy: -1935.880
where: short stacking energy: -829.298
Base-Backbone interact. energy: -2.822
local terms energy: -830.821312
where:
bonds (distance) C4'-P energy: -138.267
bonds (distance) P-C4' energy: -140.039
flat angles C4'-P-C4' energy: -178.362
flat angles P-C4'-P energy: -121.565
tors. eta vs tors. theta energy: -252.588
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: 8
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -2716.783271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.783271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.293942 (E_RNA)
where:
Base-Base interactions energy: -1903.235
where: short stacking energy: -806.763
Base-Backbone interact. energy: -4.448
local terms energy: -811.610210
where:
bonds (distance) C4'-P energy: -134.571
bonds (distance) P-C4' energy: -136.736
flat angles C4'-P-C4' energy: -175.679
flat angles P-C4'-P energy: -124.263
tors. eta vs tors. theta energy: -240.361
Dist. restrs. and SS energy: 2.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -2627.526276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.526276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.113209 (E_RNA)
where:
Base-Base interactions energy: -1846.662
where: short stacking energy: -776.139
Base-Backbone interact. energy: -3.723
local terms energy: -781.728840
where:
bonds (distance) C4'-P energy: -138.835
bonds (distance) P-C4' energy: -140.207
flat angles C4'-P-C4' energy: -159.910
flat angles P-C4'-P energy: -108.061
tors. eta vs tors. theta energy: -234.715
Dist. restrs. and SS energy: 4.587 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -2553.408041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.408041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.047908 (E_RNA)
where:
Base-Base interactions energy: -1808.403
where: short stacking energy: -756.129
Base-Backbone interact. energy: 1.020
local terms energy: -751.664651
where:
bonds (distance) C4'-P energy: -131.878
bonds (distance) P-C4' energy: -116.243
flat angles C4'-P-C4' energy: -164.547
flat angles P-C4'-P energy: -106.342
tors. eta vs tors. theta energy: -232.654
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: 5, replica: 1
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -2410.272173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.272173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.992631 (E_RNA)
where:
Base-Base interactions energy: -1712.815
where: short stacking energy: -720.149
Base-Backbone interact. energy: 0.360
local terms energy: -707.538150
where:
bonds (distance) C4'-P energy: -134.267
bonds (distance) P-C4' energy: -123.187
flat angles C4'-P-C4' energy: -156.305
flat angles P-C4'-P energy: -87.436
tors. eta vs tors. theta energy: -206.343
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: 6, replica: 5
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -2345.566531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.566531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.687554 (E_RNA)
where:
Base-Base interactions energy: -1635.080
where: short stacking energy: -691.356
Base-Backbone interact. energy: -0.726
local terms energy: -715.881388
where:
bonds (distance) C4'-P energy: -135.164
bonds (distance) P-C4' energy: -125.238
flat angles C4'-P-C4' energy: -157.288
flat angles P-C4'-P energy: -101.755
tors. eta vs tors. theta energy: -196.436
Dist. restrs. and SS energy: 6.121 (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: 6
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -2283.420963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.420963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.407806 (E_RNA)
where:
Base-Base interactions energy: -1621.797
where: short stacking energy: -667.263
Base-Backbone interact. energy: -3.964
local terms energy: -664.647149
where:
bonds (distance) C4'-P energy: -112.167
bonds (distance) P-C4' energy: -98.287
flat angles C4'-P-C4' energy: -163.966
flat angles P-C4'-P energy: -92.572
tors. eta vs tors. theta energy: -197.656
Dist. restrs. and SS energy: 6.987 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -2135.393613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.393613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.167223 (E_RNA)
where:
Base-Base interactions energy: -1519.545
where: short stacking energy: -636.132
Base-Backbone interact. energy: -0.983
local terms energy: -628.639188
where:
bonds (distance) C4'-P energy: -126.895
bonds (distance) P-C4' energy: -116.134
flat angles C4'-P-C4' energy: -131.145
flat angles P-C4'-P energy: -83.984
tors. eta vs tors. theta energy: -170.480
Dist. restrs. and SS energy: 13.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -1983.361650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.361650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.747175 (E_RNA)
where:
Base-Base interactions energy: -1416.338
where: short stacking energy: -594.909
Base-Backbone interact. energy: 1.004
local terms energy: -586.413363
where:
bonds (distance) C4'-P energy: -103.054
bonds (distance) P-C4' energy: -107.351
flat angles C4'-P-C4' energy: -125.143
flat angles P-C4'-P energy: -73.552
tors. eta vs tors. theta energy: -177.313
Dist. restrs. and SS energy: 18.386 (S_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: 221
Temperature: 1.350000
Total energy: -2004.557416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.557416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.219383 (E_RNA)
where:
Base-Base interactions energy: -1423.795
where: short stacking energy: -591.492
Base-Backbone interact. energy: -2.697
local terms energy: -588.727216
where:
bonds (distance) C4'-P energy: -92.765
bonds (distance) P-C4' energy: -125.483
flat angles C4'-P-C4' energy: -141.171
flat angles P-C4'-P energy: -58.409
tors. eta vs tors. theta energy: -170.899
Dist. restrs. and SS energy: 10.662 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -2775.556016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.556016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.506998 (E_RNA)
where:
Base-Base interactions energy: -1935.252
where: short stacking energy: -843.018
Base-Backbone interact. energy: -2.729
local terms energy: -841.526457
where:
bonds (distance) C4'-P energy: -142.568
bonds (distance) P-C4' energy: -158.636
flat angles C4'-P-C4' energy: -181.354
flat angles P-C4'-P energy: -114.366
tors. eta vs tors. theta energy: -244.603
Dist. restrs. and SS energy: 3.951 (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: 8
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -2703.299359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.299359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.362182 (E_RNA)
where:
Base-Base interactions energy: -1911.719
where: short stacking energy: -783.747
Base-Backbone interact. energy: -3.208
local terms energy: -791.435755
where:
bonds (distance) C4'-P energy: -124.984
bonds (distance) P-C4' energy: -146.039
flat angles C4'-P-C4' energy: -162.132
flat angles P-C4'-P energy: -114.497
tors. eta vs tors. theta energy: -243.784
Dist. restrs. and SS energy: 3.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -2648.783918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.783918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.033301 (E_RNA)
where:
Base-Base interactions energy: -1884.213
where: short stacking energy: -777.315
Base-Backbone interact. energy: -3.119
local terms energy: -763.701211
where:
bonds (distance) C4'-P energy: -132.598
bonds (distance) P-C4' energy: -122.895
flat angles C4'-P-C4' energy: -162.902
flat angles P-C4'-P energy: -117.143
tors. eta vs tors. theta energy: -228.164
Dist. restrs. and SS energy: 2.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -2549.977287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.977287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.485789 (E_RNA)
where:
Base-Base interactions energy: -1796.271
where: short stacking energy: -750.296
Base-Backbone interact. energy: -2.831
local terms energy: -756.384201
where:
bonds (distance) C4'-P energy: -138.116
bonds (distance) P-C4' energy: -125.233
flat angles C4'-P-C4' energy: -159.071
flat angles P-C4'-P energy: -104.980
tors. eta vs tors. theta energy: -228.985
Dist. restrs. and SS energy: 5.509 (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: 1
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -2432.105406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.105406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.433133 (E_RNA)
where:
Base-Base interactions energy: -1707.148
where: short stacking energy: -726.266
Base-Backbone interact. energy: -1.671
local terms energy: -737.614245
where:
bonds (distance) C4'-P energy: -138.713
bonds (distance) P-C4' energy: -125.762
flat angles C4'-P-C4' energy: -164.237
flat angles P-C4'-P energy: -106.296
tors. eta vs tors. theta energy: -202.607
Dist. restrs. and SS energy: 14.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -2292.330799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.330799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.080778 (E_RNA)
where:
Base-Base interactions energy: -1623.550
where: short stacking energy: -675.724
Base-Backbone interact. energy: -3.151
local terms energy: -678.379771
where:
bonds (distance) C4'-P energy: -120.823
bonds (distance) P-C4' energy: -126.654
flat angles C4'-P-C4' energy: -154.110
flat angles P-C4'-P energy: -86.106
tors. eta vs tors. theta energy: -190.688
Dist. restrs. and SS energy: 12.750 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -2234.045376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.045376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.898562 (E_RNA)
where:
Base-Base interactions energy: -1561.768
where: short stacking energy: -679.801
Base-Backbone interact. energy: -4.917
local terms energy: -678.214324
where:
bonds (distance) C4'-P energy: -129.044
bonds (distance) P-C4' energy: -131.161
flat angles C4'-P-C4' energy: -151.898
flat angles P-C4'-P energy: -77.073
tors. eta vs tors. theta energy: -189.038
Dist. restrs. and SS energy: 10.853 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -2114.257382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.257382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.625356 (E_RNA)
where:
Base-Base interactions energy: -1492.325
where: short stacking energy: -621.637
Base-Backbone interact. energy: 2.492
local terms energy: -641.791954
where:
bonds (distance) C4'-P energy: -95.689
bonds (distance) P-C4' energy: -131.254
flat angles C4'-P-C4' energy: -138.365
flat angles P-C4'-P energy: -94.747
tors. eta vs tors. theta energy: -181.738
Dist. restrs. and SS energy: 17.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -2095.852639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.852639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.569227 (E_RNA)
where:
Base-Base interactions energy: -1449.373
where: short stacking energy: -607.779
Base-Backbone interact. energy: -0.753
local terms energy: -662.442987
where:
bonds (distance) C4'-P energy: -119.038
bonds (distance) P-C4' energy: -128.997
flat angles C4'-P-C4' energy: -136.191
flat angles P-C4'-P energy: -89.308
tors. eta vs tors. theta energy: -188.908
Dist. restrs. and SS energy: 16.717 (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: 9
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -1938.921185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.921185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.322823 (E_RNA)
where:
Base-Base interactions energy: -1393.061
where: short stacking energy: -578.133
Base-Backbone interact. energy: -2.761
local terms energy: -556.501160
where:
bonds (distance) C4'-P energy: -105.185
bonds (distance) P-C4' energy: -109.214
flat angles C4'-P-C4' energy: -125.943
flat angles P-C4'-P energy: -64.086
tors. eta vs tors. theta energy: -152.073
Dist. restrs. and SS energy: 13.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -2781.486440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.486440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.251958 (E_RNA)
where:
Base-Base interactions energy: -1928.837
where: short stacking energy: -801.419
Base-Backbone interact. energy: -4.456
local terms energy: -850.959155
where:
bonds (distance) C4'-P energy: -145.664
bonds (distance) P-C4' energy: -171.079
flat angles C4'-P-C4' energy: -169.312
flat angles P-C4'-P energy: -121.317
tors. eta vs tors. theta energy: -243.587
Dist. restrs. and SS energy: 2.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -2687.166003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.166003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.126411 (E_RNA)
where:
Base-Base interactions energy: -1884.374
where: short stacking energy: -786.355
Base-Backbone interact. energy: -1.250
local terms energy: -805.502090
where:
bonds (distance) C4'-P energy: -148.834
bonds (distance) P-C4' energy: -135.887
flat angles C4'-P-C4' energy: -172.343
flat angles P-C4'-P energy: -116.899
tors. eta vs tors. theta energy: -231.540
Dist. restrs. and SS energy: 3.960 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -2633.233585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.233585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.589526 (E_RNA)
where:
Base-Base interactions energy: -1826.625
where: short stacking energy: -777.459
Base-Backbone interact. energy: 1.198
local terms energy: -811.162546
where:
bonds (distance) C4'-P energy: -142.634
bonds (distance) P-C4' energy: -149.178
flat angles C4'-P-C4' energy: -159.051
flat angles P-C4'-P energy: -115.529
tors. eta vs tors. theta energy: -244.771
Dist. restrs. and SS energy: 3.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -2552.906263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.906263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.569915 (E_RNA)
where:
Base-Base interactions energy: -1793.450
where: short stacking energy: -744.182
Base-Backbone interact. energy: -2.773
local terms energy: -764.346474
where:
bonds (distance) C4'-P energy: -120.268
bonds (distance) P-C4' energy: -147.140
flat angles C4'-P-C4' energy: -166.615
flat angles P-C4'-P energy: -108.935
tors. eta vs tors. theta energy: -221.388
Dist. restrs. and SS energy: 7.664 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -2421.427817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.427817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.469183 (E_RNA)
where:
Base-Base interactions energy: -1694.622
where: short stacking energy: -720.260
Base-Backbone interact. energy: -1.368
local terms energy: -736.479234
where:
bonds (distance) C4'-P energy: -132.437
bonds (distance) P-C4' energy: -141.996
flat angles C4'-P-C4' energy: -148.118
flat angles P-C4'-P energy: -97.964
tors. eta vs tors. theta energy: -215.965
Dist. restrs. and SS energy: 11.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -2313.778256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.778256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.153860 (E_RNA)
where:
Base-Base interactions energy: -1656.232
where: short stacking energy: -685.932
Base-Backbone interact. energy: 0.318
local terms energy: -666.239365
where:
bonds (distance) C4'-P energy: -124.847
bonds (distance) P-C4' energy: -119.377
flat angles C4'-P-C4' energy: -133.088
flat angles P-C4'-P energy: -91.767
tors. eta vs tors. theta energy: -197.159
Dist. restrs. and SS energy: 8.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -2216.310438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.310438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.995890 (E_RNA)
where:
Base-Base interactions energy: -1560.048
where: short stacking energy: -654.297
Base-Backbone interact. energy: 3.181
local terms energy: -669.129269
where:
bonds (distance) C4'-P energy: -119.201
bonds (distance) P-C4' energy: -141.130
flat angles C4'-P-C4' energy: -134.915
flat angles P-C4'-P energy: -93.291
tors. eta vs tors. theta energy: -180.593
Dist. restrs. and SS energy: 9.685 (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: 4
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -2107.700723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.700723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.758124 (E_RNA)
where:
Base-Base interactions energy: -1453.207
where: short stacking energy: -612.303
Base-Backbone interact. energy: 1.204
local terms energy: -667.754473
where:
bonds (distance) C4'-P energy: -113.784
bonds (distance) P-C4' energy: -150.488
flat angles C4'-P-C4' energy: -142.663
flat angles P-C4'-P energy: -91.836
tors. eta vs tors. theta energy: -168.984
Dist. restrs. and SS energy: 12.057 (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: 7
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -1985.292953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.292953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.131130 (E_RNA)
where:
Base-Base interactions energy: -1411.116
where: short stacking energy: -597.070
Base-Backbone interact. energy: -2.020
local terms energy: -601.994791
where:
bonds (distance) C4'-P energy: -103.702
bonds (distance) P-C4' energy: -109.853
flat angles C4'-P-C4' energy: -142.284
flat angles P-C4'-P energy: -71.239
tors. eta vs tors. theta energy: -174.917
Dist. restrs. and SS energy: 29.838 (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: 9
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -2014.516811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.516811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.871864 (E_RNA)
where:
Base-Base interactions energy: -1461.793
where: short stacking energy: -618.795
Base-Backbone interact. energy: 2.504
local terms energy: -570.582679
where:
bonds (distance) C4'-P energy: -91.007
bonds (distance) P-C4' energy: -104.559
flat angles C4'-P-C4' energy: -132.777
flat angles P-C4'-P energy: -81.420
tors. eta vs tors. theta energy: -160.820
Dist. restrs. and SS energy: 15.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -2800.174310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.174310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.961824 (E_RNA)
where:
Base-Base interactions energy: -1953.629
where: short stacking energy: -823.087
Base-Backbone interact. energy: -2.093
local terms energy: -846.240536
where:
bonds (distance) C4'-P energy: -143.916
bonds (distance) P-C4' energy: -149.773
flat angles C4'-P-C4' energy: -182.016
flat angles P-C4'-P energy: -121.344
tors. eta vs tors. theta energy: -249.192
Dist. restrs. and SS energy: 1.788 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -2667.404059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.404059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.379483 (E_RNA)
where:
Base-Base interactions energy: -1911.231
where: short stacking energy: -810.649
Base-Backbone interact. energy: -5.279
local terms energy: -754.869396
where:
bonds (distance) C4'-P energy: -157.076
bonds (distance) P-C4' energy: -123.071
flat angles C4'-P-C4' energy: -158.697
flat angles P-C4'-P energy: -84.412
tors. eta vs tors. theta energy: -231.614
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: 3
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -2674.066285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.066285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.220761 (E_RNA)
where:
Base-Base interactions energy: -1857.924
where: short stacking energy: -788.066
Base-Backbone interact. energy: -0.263
local terms energy: -819.034315
where:
bonds (distance) C4'-P energy: -137.690
bonds (distance) P-C4' energy: -139.172
flat angles C4'-P-C4' energy: -173.138
flat angles P-C4'-P energy: -115.642
tors. eta vs tors. theta energy: -253.392
Dist. restrs. and SS energy: 3.154 (S_DIST_RNA)
chem. 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: -2553.791355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.791355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.452445 (E_RNA)
where:
Base-Base interactions energy: -1797.570
where: short stacking energy: -751.526
Base-Backbone interact. energy: -2.215
local terms energy: -757.667377
where:
bonds (distance) C4'-P energy: -134.641
bonds (distance) P-C4' energy: -134.298
flat angles C4'-P-C4' energy: -160.658
flat angles P-C4'-P energy: -101.472
tors. eta vs tors. theta energy: -226.599
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: 5, replica: 1
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -2455.439073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.439073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.343773 (E_RNA)
where:
Base-Base interactions energy: -1702.082
where: short stacking energy: -705.955
Base-Backbone interact. energy: -1.169
local terms energy: -760.092666
where:
bonds (distance) C4'-P energy: -150.601
bonds (distance) P-C4' energy: -128.543
flat angles C4'-P-C4' energy: -167.181
flat angles P-C4'-P energy: -102.798
tors. eta vs tors. theta energy: -210.970
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: 5
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -2363.700767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.700767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.558856 (E_RNA)
where:
Base-Base interactions energy: -1660.356
where: short stacking energy: -712.095
Base-Backbone interact. energy: -2.402
local terms energy: -709.800527
where:
bonds (distance) C4'-P energy: -112.837
bonds (distance) P-C4' energy: -131.321
flat angles C4'-P-C4' energy: -156.342
flat angles P-C4'-P energy: -97.489
tors. eta vs tors. theta energy: -211.812
Dist. restrs. and SS energy: 8.858 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -2262.868618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.868618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.785755 (E_RNA)
where:
Base-Base interactions energy: -1583.431
where: short stacking energy: -671.230
Base-Backbone interact. energy: -4.227
local terms energy: -685.128623
where:
bonds (distance) C4'-P energy: -120.867
bonds (distance) P-C4' energy: -116.911
flat angles C4'-P-C4' energy: -144.711
flat angles P-C4'-P energy: -99.024
tors. eta vs tors. theta energy: -203.616
Dist. restrs. and SS energy: 9.917 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -2125.635888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.635888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.129652 (E_RNA)
where:
Base-Base interactions energy: -1548.145
where: short stacking energy: -624.217
Base-Backbone interact. energy: -0.586
local terms energy: -582.398351
where:
bonds (distance) C4'-P energy: -93.379
bonds (distance) P-C4' energy: -119.992
flat angles C4'-P-C4' energy: -120.048
flat angles P-C4'-P energy: -71.061
tors. eta vs tors. theta energy: -177.918
Dist. restrs. and SS energy: 5.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -2071.358875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.358875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.814849 (E_RNA)
where:
Base-Base interactions energy: -1484.642
where: short stacking energy: -622.642
Base-Backbone interact. energy: -1.632
local terms energy: -602.541552
where:
bonds (distance) C4'-P energy: -106.272
bonds (distance) P-C4' energy: -95.650
flat angles C4'-P-C4' energy: -129.898
flat angles P-C4'-P energy: -94.194
tors. eta vs tors. theta energy: -176.527
Dist. restrs. and SS energy: 17.456 (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: 7
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -1927.306352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.306352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.743452 (E_RNA)
where:
Base-Base interactions energy: -1380.551
where: short stacking energy: -575.621
Base-Backbone interact. energy: 2.098
local terms energy: -573.289805
where:
bonds (distance) C4'-P energy: -109.715
bonds (distance) P-C4' energy: -90.885
flat angles C4'-P-C4' energy: -126.293
flat angles P-C4'-P energy: -77.364
tors. eta vs tors. theta energy: -169.032
Dist. restrs. and SS energy: 24.437 (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: 10
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -2770.699154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.699154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2773.742072 (E_RNA)
where:
Base-Base interactions energy: -1948.909
where: short stacking energy: -837.051
Base-Backbone interact. energy: -3.813
local terms energy: -821.020499
where:
bonds (distance) C4'-P energy: -128.779
bonds (distance) P-C4' energy: -151.072
flat angles C4'-P-C4' energy: -176.497
flat angles P-C4'-P energy: -120.099
tors. eta vs tors. theta energy: -244.573
Dist. restrs. and SS energy: 3.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -2665.079587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.079587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.290541 (E_RNA)
where:
Base-Base interactions energy: -1859.529
where: short stacking energy: -759.849
Base-Backbone interact. energy: -1.184
local terms energy: -808.577218
where:
bonds (distance) C4'-P energy: -139.288
bonds (distance) P-C4' energy: -141.698
flat angles C4'-P-C4' energy: -173.408
flat angles P-C4'-P energy: -118.372
tors. eta vs tors. theta energy: -235.812
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: 3, replica: 3
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -2597.472395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.472395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.526285 (E_RNA)
where:
Base-Base interactions energy: -1853.377
where: short stacking energy: -777.228
Base-Backbone interact. energy: -1.063
local terms energy: -746.086640
where:
bonds (distance) C4'-P energy: -138.975
bonds (distance) P-C4' energy: -128.822
flat angles C4'-P-C4' energy: -144.727
flat angles P-C4'-P energy: -101.549
tors. eta vs tors. theta energy: -232.014
Dist. restrs. and SS energy: 3.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -2510.768701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.768701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.450752 (E_RNA)
where:
Base-Base interactions energy: -1773.229
where: short stacking energy: -759.972
Base-Backbone interact. energy: -3.316
local terms energy: -736.905437
where:
bonds (distance) C4'-P energy: -123.676
bonds (distance) P-C4' energy: -140.811
flat angles C4'-P-C4' energy: -156.900
flat angles P-C4'-P energy: -101.346
tors. eta vs tors. theta energy: -214.173
Dist. restrs. and SS energy: 2.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -2394.959005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.959005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.960698 (E_RNA)
where:
Base-Base interactions energy: -1676.574
where: short stacking energy: -691.730
Base-Backbone interact. energy: -0.807
local terms energy: -724.579580
where:
bonds (distance) C4'-P energy: -119.535
bonds (distance) P-C4' energy: -135.280
flat angles C4'-P-C4' energy: -147.676
flat angles P-C4'-P energy: -107.862
tors. eta vs tors. theta energy: -214.226
Dist. restrs. and SS energy: 7.002 (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: 5
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -2360.519119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.519119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.082747 (E_RNA)
where:
Base-Base interactions energy: -1688.663
where: short stacking energy: -714.946
Base-Backbone interact. energy: -1.175
local terms energy: -677.245107
where:
bonds (distance) C4'-P energy: -85.283
bonds (distance) P-C4' energy: -124.008
flat angles C4'-P-C4' energy: -152.439
flat angles P-C4'-P energy: -104.879
tors. eta vs tors. theta energy: -210.635
Dist. restrs. and SS energy: 6.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -2271.081782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.081782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.699810 (E_RNA)
where:
Base-Base interactions energy: -1578.829
where: short stacking energy: -675.027
Base-Backbone interact. energy: 5.688
local terms energy: -706.558444
where:
bonds (distance) C4'-P energy: -117.137
bonds (distance) P-C4' energy: -117.985
flat angles C4'-P-C4' energy: -160.777
flat angles P-C4'-P energy: -114.220
tors. eta vs tors. theta energy: -196.440
Dist. restrs. and SS energy: 8.618 (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: 225
Temperature: 1.250000
Total energy: -2112.474978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.474978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.619192 (E_RNA)
where:
Base-Base interactions energy: -1481.810
where: short stacking energy: -605.040
Base-Backbone interact. energy: 1.127
local terms energy: -640.936422
where:
bonds (distance) C4'-P energy: -119.177
bonds (distance) P-C4' energy: -131.124
flat angles C4'-P-C4' energy: -134.417
flat angles P-C4'-P energy: -81.122
tors. eta vs tors. theta energy: -175.096
Dist. restrs. and SS energy: 9.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -2063.251055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.251055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.912965 (E_RNA)
where:
Base-Base interactions energy: -1478.268
where: short stacking energy: -590.458
Base-Backbone interact. energy: 0.006
local terms energy: -598.650199
where:
bonds (distance) C4'-P energy: -120.790
bonds (distance) P-C4' energy: -113.254
flat angles C4'-P-C4' energy: -120.016
flat angles P-C4'-P energy: -79.467
tors. eta vs tors. theta energy: -165.123
Dist. restrs. and SS energy: 13.662 (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: 7
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -1909.848541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.848541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.429198 (E_RNA)
where:
Base-Base interactions energy: -1343.821
where: short stacking energy: -546.158
Base-Backbone interact. energy: 9.750
local terms energy: -618.357951
where:
bonds (distance) C4'-P energy: -102.953
bonds (distance) P-C4' energy: -114.390
flat angles C4'-P-C4' energy: -144.464
flat angles P-C4'-P energy: -86.332
tors. eta vs tors. theta energy: -170.219
Dist. restrs. and SS energy: 42.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -2757.693023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2757.693023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.785375 (E_RNA)
where:
Base-Base interactions energy: -1919.058
where: short stacking energy: -822.562
Base-Backbone interact. energy: -1.668
local terms energy: -840.059133
where:
bonds (distance) C4'-P energy: -141.663
bonds (distance) P-C4' energy: -157.011
flat angles C4'-P-C4' energy: -169.357
flat angles P-C4'-P energy: -121.787
tors. eta vs tors. theta energy: -250.241
Dist. restrs. and SS energy: 3.092 (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: 8
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -2681.379899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.379899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.792731 (E_RNA)
where:
Base-Base interactions energy: -1881.723
where: short stacking energy: -782.310
Base-Backbone interact. energy: -1.114
local terms energy: -801.955807
where:
bonds (distance) C4'-P energy: -143.526
bonds (distance) P-C4' energy: -139.421
flat angles C4'-P-C4' energy: -162.364
flat angles P-C4'-P energy: -105.983
tors. eta vs tors. theta energy: -250.662
Dist. restrs. and SS energy: 3.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -2597.749169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.749169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.465259 (E_RNA)
where:
Base-Base interactions energy: -1829.570
where: short stacking energy: -773.967
Base-Backbone interact. energy: -1.729
local terms energy: -770.166137
where:
bonds (distance) C4'-P energy: -134.499
bonds (distance) P-C4' energy: -141.908
flat angles C4'-P-C4' energy: -160.623
flat angles P-C4'-P energy: -100.470
tors. eta vs tors. theta energy: -232.666
Dist. restrs. and SS energy: 3.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -2565.352288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.352288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.535347 (E_RNA)
where:
Base-Base interactions energy: -1794.854
where: short stacking energy: -757.700
Base-Backbone interact. energy: -1.294
local terms energy: -774.387972
where:
bonds (distance) C4'-P energy: -137.104
bonds (distance) P-C4' energy: -140.322
flat angles C4'-P-C4' energy: -157.872
flat angles P-C4'-P energy: -107.144
tors. eta vs tors. theta energy: -231.947
Dist. restrs. and SS energy: 5.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -2393.531175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.531175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.534417 (E_RNA)
where:
Base-Base interactions energy: -1689.398
where: short stacking energy: -697.806
Base-Backbone interact. energy: -3.271
local terms energy: -710.865582
where:
bonds (distance) C4'-P energy: -127.049
bonds (distance) P-C4' energy: -119.758
flat angles C4'-P-C4' energy: -152.392
flat angles P-C4'-P energy: -91.858
tors. eta vs tors. theta energy: -219.808
Dist. restrs. and SS energy: 10.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -2335.339455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.339455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.134676 (E_RNA)
where:
Base-Base interactions energy: -1669.928
where: short stacking energy: -691.630
Base-Backbone interact. energy: -1.985
local terms energy: -671.221566
where:
bonds (distance) C4'-P energy: -99.296
bonds (distance) P-C4' energy: -131.016
flat angles C4'-P-C4' energy: -141.064
flat angles P-C4'-P energy: -102.874
tors. eta vs tors. theta energy: -196.971
Dist. restrs. and SS energy: 7.795 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -2295.626280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.626280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.401588 (E_RNA)
where:
Base-Base interactions energy: -1618.875
where: short stacking energy: -687.157
Base-Backbone interact. energy: -4.480
local terms energy: -680.046541
where:
bonds (distance) C4'-P energy: -112.674
bonds (distance) P-C4' energy: -119.872
flat angles C4'-P-C4' energy: -151.761
flat angles P-C4'-P energy: -100.011
tors. eta vs tors. theta energy: -195.728
Dist. restrs. and SS energy: 7.775 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -2099.569214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.569214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.028587 (E_RNA)
where:
Base-Base interactions energy: -1499.043
where: short stacking energy: -637.135
Base-Backbone interact. energy: -0.455
local terms energy: -613.530476
where:
bonds (distance) C4'-P energy: -108.252
bonds (distance) P-C4' energy: -118.359
flat angles C4'-P-C4' energy: -132.664
flat angles P-C4'-P energy: -78.714
tors. eta vs tors. theta energy: -175.541
Dist. restrs. and SS energy: 13.459 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -2125.648244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.648244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.358992 (E_RNA)
where:
Base-Base interactions energy: -1518.266
where: short stacking energy: -623.810
Base-Backbone interact. energy: 4.158
local terms energy: -622.250187
where:
bonds (distance) C4'-P energy: -109.031
bonds (distance) P-C4' energy: -131.644
flat angles C4'-P-C4' energy: -135.378
flat angles P-C4'-P energy: -80.384
tors. eta vs tors. theta energy: -165.814
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: 10, replica: 7
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -1870.229568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.229568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.479137 (E_RNA)
where:
Base-Base interactions energy: -1304.103
where: short stacking energy: -552.847
Base-Backbone interact. energy: -1.955
local terms energy: -588.420515
where:
bonds (distance) C4'-P energy: -104.450
bonds (distance) P-C4' energy: -121.473
flat angles C4'-P-C4' energy: -124.712
flat angles P-C4'-P energy: -90.443
tors. eta vs tors. theta energy: -147.342
Dist. restrs. and SS energy: 24.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -2762.840709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.840709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.079064 (E_RNA)
where:
Base-Base interactions energy: -1934.044
where: short stacking energy: -816.121
Base-Backbone interact. energy: -1.539
local terms energy: -830.495981
where:
bonds (distance) C4'-P energy: -147.400
bonds (distance) P-C4' energy: -155.202
flat angles C4'-P-C4' energy: -172.807
flat angles P-C4'-P energy: -116.761
tors. eta vs tors. theta energy: -238.325
Dist. restrs. and SS energy: 3.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -2674.595068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.595068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.544726 (E_RNA)
where:
Base-Base interactions energy: -1874.867
where: short stacking energy: -827.033
Base-Backbone interact. energy: -6.294
local terms energy: -796.383672
where:
bonds (distance) C4'-P energy: -132.946
bonds (distance) P-C4' energy: -132.148
flat angles C4'-P-C4' energy: -164.264
flat angles P-C4'-P energy: -122.906
tors. eta vs tors. theta energy: -244.120
Dist. restrs. and SS energy: 2.950 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -2639.321471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.321471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.720428 (E_RNA)
where:
Base-Base interactions energy: -1878.139
where: short stacking energy: -800.562
Base-Backbone interact. energy: -3.444
local terms energy: -761.137287
where:
bonds (distance) C4'-P energy: -110.015
bonds (distance) P-C4' energy: -136.663
flat angles C4'-P-C4' energy: -168.565
flat angles P-C4'-P energy: -110.484
tors. eta vs tors. theta energy: -235.410
Dist. restrs. and SS energy: 3.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -2569.747272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.747272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.272687 (E_RNA)
where:
Base-Base interactions energy: -1811.909
where: short stacking energy: -761.190
Base-Backbone interact. energy: -4.326
local terms energy: -761.037333
where:
bonds (distance) C4'-P energy: -133.511
bonds (distance) P-C4' energy: -133.389
flat angles C4'-P-C4' energy: -158.531
flat angles P-C4'-P energy: -97.306
tors. eta vs tors. theta energy: -238.300
Dist. restrs. and SS energy: 7.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -2480.863180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.863180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.846165 (E_RNA)
where:
Base-Base interactions energy: -1765.894
where: short stacking energy: -725.801
Base-Backbone interact. energy: -2.622
local terms energy: -721.330194
where:
bonds (distance) C4'-P energy: -131.247
bonds (distance) P-C4' energy: -120.571
flat angles C4'-P-C4' energy: -153.911
flat angles P-C4'-P energy: -97.440
tors. eta vs tors. theta energy: -218.161
Dist. restrs. and SS energy: 8.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -2306.036457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.036457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.895048 (E_RNA)
where:
Base-Base interactions energy: -1640.846
where: short stacking energy: -664.443
Base-Backbone interact. energy: -3.923
local terms energy: -668.125726
where:
bonds (distance) C4'-P energy: -128.744
bonds (distance) P-C4' energy: -119.929
flat angles C4'-P-C4' energy: -141.398
flat angles P-C4'-P energy: -99.447
tors. eta vs tors. theta energy: -178.607
Dist. restrs. and SS energy: 6.859 (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: 227
Temperature: 1.200000
Total energy: -2250.384083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.384083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.591202 (E_RNA)
where:
Base-Base interactions energy: -1565.123
where: short stacking energy: -630.521
Base-Backbone interact. energy: 1.841
local terms energy: -696.310082
where:
bonds (distance) C4'-P energy: -120.427
bonds (distance) P-C4' energy: -148.804
flat angles C4'-P-C4' energy: -144.496
flat angles P-C4'-P energy: -85.030
tors. eta vs tors. theta energy: -197.553
Dist. restrs. and SS energy: 9.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -2140.327122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.327122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.188456 (E_RNA)
where:
Base-Base interactions energy: -1550.551
where: short stacking energy: -634.750
Base-Backbone interact. energy: -0.841
local terms energy: -592.796885
where:
bonds (distance) C4'-P energy: -96.136
bonds (distance) P-C4' energy: -101.146
flat angles C4'-P-C4' energy: -140.834
flat angles P-C4'-P energy: -69.973
tors. eta vs tors. theta energy: -184.707
Dist. restrs. and SS energy: 3.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -2011.816024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.816024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.273807 (E_RNA)
where:
Base-Base interactions energy: -1471.169
where: short stacking energy: -576.151
Base-Backbone interact. energy: 3.936
local terms energy: -560.041108
where:
bonds (distance) C4'-P energy: -109.450
bonds (distance) P-C4' energy: -93.496
flat angles C4'-P-C4' energy: -130.554
flat angles P-C4'-P energy: -87.106
tors. eta vs tors. theta energy: -139.436
Dist. restrs. and SS energy: 15.458 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -1881.887984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.887984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.001231 (E_RNA)
where:
Base-Base interactions energy: -1314.734
where: short stacking energy: -568.340
Base-Backbone interact. energy: -1.909
local terms energy: -592.358063
where:
bonds (distance) C4'-P energy: -97.259
bonds (distance) P-C4' energy: -132.713
flat angles C4'-P-C4' energy: -138.520
flat angles P-C4'-P energy: -63.519
tors. eta vs tors. theta energy: -160.348
Dist. restrs. and SS energy: 27.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -2801.006326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2801.006326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.796854 (E_RNA)
where:
Base-Base interactions energy: -1968.271
where: short stacking energy: -849.218
Base-Backbone interact. energy: -0.992
local terms energy: -833.533905
where:
bonds (distance) C4'-P energy: -137.710
bonds (distance) P-C4' energy: -143.780
flat angles C4'-P-C4' energy: -180.425
flat angles P-C4'-P energy: -121.225
tors. eta vs tors. theta energy: -250.394
Dist. restrs. and SS energy: 1.791 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -2692.958282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.958282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.532262 (E_RNA)
where:
Base-Base interactions energy: -1921.056
where: short stacking energy: -843.712
Base-Backbone interact. energy: 3.711
local terms energy: -778.187391
where:
bonds (distance) C4'-P energy: -129.450
bonds (distance) P-C4' energy: -112.835
flat angles C4'-P-C4' energy: -167.942
flat angles P-C4'-P energy: -112.915
tors. eta vs tors. theta energy: -255.044
Dist. restrs. and SS energy: 2.574 (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: 3
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -2639.847439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.847439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.208081 (E_RNA)
where:
Base-Base interactions energy: -1859.559
where: short stacking energy: -780.853
Base-Backbone interact. energy: -0.740
local terms energy: -785.909387
where:
bonds (distance) C4'-P energy: -136.279
bonds (distance) P-C4' energy: -142.414
flat angles C4'-P-C4' energy: -159.867
flat angles P-C4'-P energy: -118.054
tors. eta vs tors. theta energy: -229.295
Dist. restrs. and SS energy: 6.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -2556.137461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.137461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.799712 (E_RNA)
where:
Base-Base interactions energy: -1797.853
where: short stacking energy: -782.047
Base-Backbone interact. energy: -0.311
local terms energy: -764.635496
where:
bonds (distance) C4'-P energy: -122.171
bonds (distance) P-C4' energy: -134.840
flat angles C4'-P-C4' energy: -161.899
flat angles P-C4'-P energy: -117.911
tors. eta vs tors. theta energy: -227.814
Dist. restrs. and SS energy: 6.662 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -2432.556830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.556830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.064827 (E_RNA)
where:
Base-Base interactions energy: -1733.002
where: short stacking energy: -720.876
Base-Backbone interact. energy: -1.123
local terms energy: -706.939957
where:
bonds (distance) C4'-P energy: -108.597
bonds (distance) P-C4' energy: -118.617
flat angles C4'-P-C4' energy: -170.340
flat angles P-C4'-P energy: -105.369
tors. eta vs tors. theta energy: -204.016
Dist. restrs. and SS energy: 8.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -2313.073795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.073795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.730044 (E_RNA)
where:
Base-Base interactions energy: -1605.577
where: short stacking energy: -674.305
Base-Backbone interact. energy: -5.200
local terms energy: -706.952364
where:
bonds (distance) C4'-P energy: -129.255
bonds (distance) P-C4' energy: -144.790
flat angles C4'-P-C4' energy: -150.995
flat angles P-C4'-P energy: -100.070
tors. eta vs tors. theta energy: -181.843
Dist. restrs. and SS energy: 4.656 (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: 5
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -2296.740314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.740314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.656111 (E_RNA)
where:
Base-Base interactions energy: -1601.226
where: short stacking energy: -659.617
Base-Backbone interact. energy: 0.639
local terms energy: -704.069701
where:
bonds (distance) C4'-P energy: -132.514
bonds (distance) P-C4' energy: -111.392
flat angles C4'-P-C4' energy: -155.768
flat angles P-C4'-P energy: -96.151
tors. eta vs tors. theta energy: -208.244
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: 8, replica: 9
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -2156.216275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.216275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.365907 (E_RNA)
where:
Base-Base interactions energy: -1525.331
where: short stacking energy: -632.164
Base-Backbone interact. energy: -0.653
local terms energy: -639.382146
where:
bonds (distance) C4'-P energy: -124.120
bonds (distance) P-C4' energy: -115.781
flat angles C4'-P-C4' energy: -120.219
flat angles P-C4'-P energy: -90.422
tors. eta vs tors. theta energy: -188.839
Dist. restrs. and SS energy: 9.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -2069.919967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.919967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.604309 (E_RNA)
where:
Base-Base interactions energy: -1451.748
where: short stacking energy: -605.472
Base-Backbone interact. energy: -0.903
local terms energy: -630.953119
where:
bonds (distance) C4'-P energy: -125.043
bonds (distance) P-C4' energy: -106.699
flat angles C4'-P-C4' energy: -131.876
flat angles P-C4'-P energy: -96.235
tors. eta vs tors. theta energy: -171.101
Dist. restrs. and SS energy: 13.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -1910.476599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.476599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.869245 (E_RNA)
where:
Base-Base interactions energy: -1361.200
where: short stacking energy: -540.033
Base-Backbone interact. energy: -0.661
local terms energy: -574.009089
where:
bonds (distance) C4'-P energy: -104.943
bonds (distance) P-C4' energy: -105.108
flat angles C4'-P-C4' energy: -133.835
flat angles P-C4'-P energy: -79.203
tors. eta vs tors. theta energy: -150.920
Dist. restrs. and SS energy: 25.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -2775.233271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.233271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.610664 (E_RNA)
where:
Base-Base interactions energy: -1940.584
where: short stacking energy: -830.135
Base-Backbone interact. energy: -3.211
local terms energy: -833.816318
where:
bonds (distance) C4'-P energy: -148.054
bonds (distance) P-C4' energy: -147.089
flat angles C4'-P-C4' energy: -167.669
flat angles P-C4'-P energy: -125.260
tors. eta vs tors. theta energy: -245.744
Dist. restrs. and SS energy: 2.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -2707.210437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.210437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.178819 (E_RNA)
where:
Base-Base interactions energy: -1899.495
where: short stacking energy: -813.277
Base-Backbone interact. energy: -2.873
local terms energy: -810.810941
where:
bonds (distance) C4'-P energy: -136.710
bonds (distance) P-C4' energy: -139.169
flat angles C4'-P-C4' energy: -166.701
flat angles P-C4'-P energy: -118.758
tors. eta vs tors. theta energy: -249.474
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: 3, replica: 3
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -2684.685486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.685486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.403728 (E_RNA)
where:
Base-Base interactions energy: -1878.936
where: short stacking energy: -785.961
Base-Backbone interact. energy: -2.178
local terms energy: -806.289664
where:
bonds (distance) C4'-P energy: -137.360
bonds (distance) P-C4' energy: -141.249
flat angles C4'-P-C4' energy: -161.239
flat angles P-C4'-P energy: -117.234
tors. eta vs tors. theta energy: -249.207
Dist. restrs. and SS energy: 2.718 (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: 2
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -2548.652819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.652819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.913508 (E_RNA)
where:
Base-Base interactions energy: -1808.126
where: short stacking energy: -766.757
Base-Backbone interact. energy: -2.779
local terms energy: -742.008572
where:
bonds (distance) C4'-P energy: -127.065
bonds (distance) P-C4' energy: -119.652
flat angles C4'-P-C4' energy: -168.767
flat angles P-C4'-P energy: -96.421
tors. eta vs tors. theta energy: -230.104
Dist. restrs. and SS energy: 4.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -2434.137953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.137953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.035550 (E_RNA)
where:
Base-Base interactions energy: -1686.508
where: short stacking energy: -707.373
Base-Backbone interact. energy: -2.161
local terms energy: -753.365795
where:
bonds (distance) C4'-P energy: -125.202
bonds (distance) P-C4' energy: -132.217
flat angles C4'-P-C4' energy: -156.102
flat angles P-C4'-P energy: -122.014
tors. eta vs tors. theta energy: -217.831
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: 6, replica: 6
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -2287.393928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.393928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.280614 (E_RNA)
where:
Base-Base interactions energy: -1607.709
where: short stacking energy: -680.813
Base-Backbone interact. energy: 0.047
local terms energy: -688.618752
where:
bonds (distance) C4'-P energy: -114.891
bonds (distance) P-C4' energy: -137.734
flat angles C4'-P-C4' energy: -152.806
flat angles P-C4'-P energy: -83.444
tors. eta vs tors. theta energy: -199.744
Dist. restrs. and SS energy: 8.887 (S_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: 229
Temperature: 1.200000
Total energy: -2266.716206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.716206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.005409 (E_RNA)
where:
Base-Base interactions energy: -1605.817
where: short stacking energy: -662.487
Base-Backbone interact. energy: -2.325
local terms energy: -668.863642
where:
bonds (distance) C4'-P energy: -120.000
bonds (distance) P-C4' energy: -116.895
flat angles C4'-P-C4' energy: -148.470
flat angles P-C4'-P energy: -98.841
tors. eta vs tors. theta energy: -184.657
Dist. restrs. and SS energy: 10.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -2039.352908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.352908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.013915 (E_RNA)
where:
Base-Base interactions energy: -1448.391
where: short stacking energy: -601.355
Base-Backbone interact. energy: -0.186
local terms energy: -609.436757
where:
bonds (distance) C4'-P energy: -110.075
bonds (distance) P-C4' energy: -118.996
flat angles C4'-P-C4' energy: -137.652
flat angles P-C4'-P energy: -78.341
tors. eta vs tors. theta energy: -164.373
Dist. restrs. and SS energy: 18.661 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -2036.030278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.030278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.069762 (E_RNA)
where:
Base-Base interactions energy: -1467.815
where: short stacking energy: -601.171
Base-Backbone interact. energy: 2.698
local terms energy: -579.953236
where:
bonds (distance) C4'-P energy: -100.914
bonds (distance) P-C4' energy: -109.329
flat angles C4'-P-C4' energy: -125.574
flat angles P-C4'-P energy: -73.213
tors. eta vs tors. theta energy: -170.923
Dist. restrs. and SS energy: 9.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -1893.518804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.518804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.708493 (E_RNA)
where:
Base-Base interactions energy: -1328.317
where: short stacking energy: -543.411
Base-Backbone interact. energy: -3.009
local terms energy: -587.382426
where:
bonds (distance) C4'-P energy: -130.049
bonds (distance) P-C4' energy: -108.815
flat angles C4'-P-C4' energy: -118.201
flat angles P-C4'-P energy: -77.085
tors. eta vs tors. theta energy: -153.232
Dist. restrs. and SS energy: 25.190 (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: 10
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -2776.153579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.153579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.875869 (E_RNA)
where:
Base-Base interactions energy: -1919.566
where: short stacking energy: -823.489
Base-Backbone interact. energy: -4.841
local terms energy: -853.468685
where:
bonds (distance) C4'-P energy: -151.935
bonds (distance) P-C4' energy: -152.693
flat angles C4'-P-C4' energy: -173.907
flat angles P-C4'-P energy: -125.381
tors. eta vs tors. theta energy: -249.553
Dist. restrs. and SS energy: 1.722 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -2713.214327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.214327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.085535 (E_RNA)
where:
Base-Base interactions energy: -1907.904
where: short stacking energy: -828.809
Base-Backbone interact. energy: 1.481
local terms energy: -809.662858
where:
bonds (distance) C4'-P energy: -129.819
bonds (distance) P-C4' energy: -153.855
flat angles C4'-P-C4' energy: -171.701
flat angles P-C4'-P energy: -114.512
tors. eta vs tors. theta energy: -239.777
Dist. restrs. and SS energy: 2.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -2697.694098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.694098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.013921 (E_RNA)
where:
Base-Base interactions energy: -1890.076
where: short stacking energy: -809.137
Base-Backbone interact. energy: -2.276
local terms energy: -811.661242
where:
bonds (distance) C4'-P energy: -136.161
bonds (distance) P-C4' energy: -135.545
flat angles C4'-P-C4' energy: -164.230
flat angles P-C4'-P energy: -127.903
tors. eta vs tors. theta energy: -247.822
Dist. restrs. and SS energy: 6.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -2562.147768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.147768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.366967 (E_RNA)
where:
Base-Base interactions energy: -1806.606
where: short stacking energy: -772.910
Base-Backbone interact. energy: -1.826
local terms energy: -758.935363
where:
bonds (distance) C4'-P energy: -139.277
bonds (distance) P-C4' energy: -126.734
flat angles C4'-P-C4' energy: -161.952
flat angles P-C4'-P energy: -98.351
tors. eta vs tors. theta energy: -232.621
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: 1
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -2437.701775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.701775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.316797 (E_RNA)
where:
Base-Base interactions energy: -1707.104
where: short stacking energy: -712.858
Base-Backbone interact. energy: -3.844
local terms energy: -736.368965
where:
bonds (distance) C4'-P energy: -131.175
bonds (distance) P-C4' energy: -134.612
flat angles C4'-P-C4' energy: -153.864
flat angles P-C4'-P energy: -99.871
tors. eta vs tors. theta energy: -216.847
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: 6
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -2306.724335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.724335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.103009 (E_RNA)
where:
Base-Base interactions energy: -1664.649
where: short stacking energy: -683.836
Base-Backbone interact. energy: -0.128
local terms energy: -653.326312
where:
bonds (distance) C4'-P energy: -122.666
bonds (distance) P-C4' energy: -111.674
flat angles C4'-P-C4' energy: -136.745
flat angles P-C4'-P energy: -93.905
tors. eta vs tors. theta energy: -188.337
Dist. restrs. and SS energy: 11.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -2284.454180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.454180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.354395 (E_RNA)
where:
Base-Base interactions energy: -1605.932
where: short stacking energy: -654.697
Base-Backbone interact. energy: 2.495
local terms energy: -692.916763
where:
bonds (distance) C4'-P energy: -129.041
bonds (distance) P-C4' energy: -129.749
flat angles C4'-P-C4' energy: -143.529
flat angles P-C4'-P energy: -99.900
tors. eta vs tors. theta energy: -190.698
Dist. restrs. and SS energy: 11.900 (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: 4
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -2077.343275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.343275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.117573 (E_RNA)
where:
Base-Base interactions energy: -1438.716
where: short stacking energy: -591.304
Base-Backbone interact. energy: 1.923
local terms energy: -654.325344
where:
bonds (distance) C4'-P energy: -130.674
bonds (distance) P-C4' energy: -113.564
flat angles C4'-P-C4' energy: -143.418
flat angles P-C4'-P energy: -80.698
tors. eta vs tors. theta energy: -185.972
Dist. restrs. and SS energy: 13.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -2070.632332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.632332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.439169 (E_RNA)
where:
Base-Base interactions energy: -1468.920
where: short stacking energy: -610.403
Base-Backbone interact. energy: -2.471
local terms energy: -612.048216
where:
bonds (distance) C4'-P energy: -121.920
bonds (distance) P-C4' energy: -115.145
flat angles C4'-P-C4' energy: -130.576
flat angles P-C4'-P energy: -76.058
tors. eta vs tors. theta energy: -168.349
Dist. restrs. and SS energy: 12.807 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -1881.756532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.756532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.665031 (E_RNA)
where:
Base-Base interactions energy: -1393.131
where: short stacking energy: -588.248
Base-Backbone interact. energy: -2.305
local terms energy: -514.229598
where:
bonds (distance) C4'-P energy: -86.285
bonds (distance) P-C4' energy: -102.358
flat angles C4'-P-C4' energy: -107.255
flat angles P-C4'-P energy: -70.149
tors. eta vs tors. theta energy: -148.182
Dist. restrs. and SS energy: 27.908 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -2773.356673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2773.356673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.541509 (E_RNA)
where:
Base-Base interactions energy: -1907.498
where: short stacking energy: -832.025
Base-Backbone interact. energy: -1.791
local terms energy: -868.252181
where:
bonds (distance) C4'-P energy: -161.850
bonds (distance) P-C4' energy: -162.662
flat angles C4'-P-C4' energy: -163.871
flat angles P-C4'-P energy: -127.739
tors. eta vs tors. theta energy: -252.129
Dist. restrs. and SS energy: 4.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -2715.969038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.969038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.101385 (E_RNA)
where:
Base-Base interactions energy: -1905.229
where: short stacking energy: -807.834
Base-Backbone interact. energy: -2.565
local terms energy: -812.307315
where:
bonds (distance) C4'-P energy: -143.342
bonds (distance) P-C4' energy: -161.359
flat angles C4'-P-C4' energy: -162.765
flat angles P-C4'-P energy: -106.102
tors. eta vs tors. theta energy: -238.740
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: 3, replica: 3
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -2682.903048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.903048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.346172 (E_RNA)
where:
Base-Base interactions energy: -1895.509
where: short stacking energy: -804.338
Base-Backbone interact. energy: -3.217
local terms energy: -790.620635
where:
bonds (distance) C4'-P energy: -149.579
bonds (distance) P-C4' energy: -146.543
flat angles C4'-P-C4' energy: -149.661
flat angles P-C4'-P energy: -106.466
tors. eta vs tors. theta energy: -238.371
Dist. restrs. and SS energy: 6.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -2579.103879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.103879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.636756 (E_RNA)
where:
Base-Base interactions energy: -1821.725
where: short stacking energy: -770.018
Base-Backbone interact. energy: -6.052
local terms energy: -756.859469
where:
bonds (distance) C4'-P energy: -140.642
bonds (distance) P-C4' energy: -128.438
flat angles C4'-P-C4' energy: -147.483
flat angles P-C4'-P energy: -104.211
tors. eta vs tors. theta energy: -236.085
Dist. restrs. and SS energy: 5.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -2448.719803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.719803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.634846 (E_RNA)
where:
Base-Base interactions energy: -1715.829
where: short stacking energy: -727.544
Base-Backbone interact. energy: -2.669
local terms energy: -737.137422
where:
bonds (distance) C4'-P energy: -120.817
bonds (distance) P-C4' energy: -138.440
flat angles C4'-P-C4' energy: -150.080
flat angles P-C4'-P energy: -102.623
tors. eta vs tors. theta energy: -225.177
Dist. restrs. and SS energy: 6.915 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -2343.558945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.558945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.065428 (E_RNA)
where:
Base-Base interactions energy: -1649.145
where: short stacking energy: -698.221
Base-Backbone interact. energy: -3.946
local terms energy: -696.974530
where:
bonds (distance) C4'-P energy: -113.678
bonds (distance) P-C4' energy: -117.863
flat angles C4'-P-C4' energy: -147.646
flat angles P-C4'-P energy: -120.726
tors. eta vs tors. theta energy: -197.062
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: 6
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -2272.775049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.775049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.190967 (E_RNA)
where:
Base-Base interactions energy: -1600.357
where: short stacking energy: -683.599
Base-Backbone interact. energy: 4.065
local terms energy: -684.898947
where:
bonds (distance) C4'-P energy: -107.358
bonds (distance) P-C4' energy: -124.827
flat angles C4'-P-C4' energy: -145.858
flat angles P-C4'-P energy: -103.227
tors. eta vs tors. theta energy: -203.629
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: 8, replica: 9
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -2188.238790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.238790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.671416 (E_RNA)
where:
Base-Base interactions energy: -1570.093
where: short stacking energy: -652.678
Base-Backbone interact. energy: 1.475
local terms energy: -627.053101
where:
bonds (distance) C4'-P energy: -101.261
bonds (distance) P-C4' energy: -116.789
flat angles C4'-P-C4' energy: -141.628
flat angles P-C4'-P energy: -82.613
tors. eta vs tors. theta energy: -184.762
Dist. restrs. and SS energy: 7.433 (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: 231
Temperature: 1.300000
Total energy: -2033.542332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.542332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.665871 (E_RNA)
where:
Base-Base interactions energy: -1430.146
where: short stacking energy: -597.334
Base-Backbone interact. energy: -1.447
local terms energy: -625.073364
where:
bonds (distance) C4'-P energy: -101.455
bonds (distance) P-C4' energy: -125.982
flat angles C4'-P-C4' energy: -141.996
flat angles P-C4'-P energy: -75.221
tors. eta vs tors. theta energy: -180.419
Dist. restrs. and SS energy: 23.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -1907.556076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.556076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.541354 (E_RNA)
where:
Base-Base interactions energy: -1363.612
where: short stacking energy: -578.781
Base-Backbone interact. energy: 0.894
local terms energy: -575.822755
where:
bonds (distance) C4'-P energy: -126.311
bonds (distance) P-C4' energy: -90.511
flat angles C4'-P-C4' energy: -128.467
flat angles P-C4'-P energy: -70.107
tors. eta vs tors. theta energy: -160.427
Dist. restrs. and SS energy: 30.985 (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: 232
Temperature: 0.900000
Total energy: -2785.025321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.025321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.479007 (E_RNA)
where:
Base-Base interactions energy: -1951.933
where: short stacking energy: -820.854
Base-Backbone interact. energy: -2.839
local terms energy: -833.707735
where:
bonds (distance) C4'-P energy: -140.259
bonds (distance) P-C4' energy: -147.027
flat angles C4'-P-C4' energy: -171.761
flat angles P-C4'-P energy: -126.118
tors. eta vs tors. theta energy: -248.543
Dist. restrs. and SS energy: 3.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -2729.463193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.463193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.665942 (E_RNA)
where:
Base-Base interactions energy: -1906.761
where: short stacking energy: -799.919
Base-Backbone interact. energy: -0.084
local terms energy: -826.820127
where:
bonds (distance) C4'-P energy: -153.312
bonds (distance) P-C4' energy: -145.343
flat angles C4'-P-C4' energy: -176.444
flat angles P-C4'-P energy: -108.230
tors. eta vs tors. theta energy: -243.492
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: 3
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -2706.002460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.002460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.086197 (E_RNA)
where:
Base-Base interactions energy: -1905.622
where: short stacking energy: -784.949
Base-Backbone interact. energy: 1.667
local terms energy: -806.130916
where:
bonds (distance) C4'-P energy: -135.610
bonds (distance) P-C4' energy: -150.145
flat angles C4'-P-C4' energy: -158.731
flat angles P-C4'-P energy: -122.308
tors. eta vs tors. theta energy: -239.337
Dist. restrs. and SS energy: 4.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -2567.966117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.966117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.099087 (E_RNA)
where:
Base-Base interactions energy: -1791.419
where: short stacking energy: -761.687
Base-Backbone interact. energy: -3.041
local terms energy: -776.639751
where:
bonds (distance) C4'-P energy: -130.788
bonds (distance) P-C4' energy: -138.454
flat angles C4'-P-C4' energy: -159.756
flat angles P-C4'-P energy: -114.654
tors. eta vs tors. theta energy: -232.987
Dist. restrs. and SS energy: 3.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -2420.675405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.675405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.566703 (E_RNA)
where:
Base-Base interactions energy: -1715.095
where: short stacking energy: -747.849
Base-Backbone interact. energy: -2.860
local terms energy: -710.612377
where:
bonds (distance) C4'-P energy: -118.603
bonds (distance) P-C4' energy: -119.573
flat angles C4'-P-C4' energy: -155.771
flat angles P-C4'-P energy: -111.545
tors. eta vs tors. theta energy: -205.121
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: 5
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -2298.753372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.753372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.991255 (E_RNA)
where:
Base-Base interactions energy: -1605.147
where: short stacking energy: -659.427
Base-Backbone interact. energy: 0.013
local terms energy: -699.857126
where:
bonds (distance) C4'-P energy: -111.141
bonds (distance) P-C4' energy: -142.680
flat angles C4'-P-C4' energy: -155.369
flat angles P-C4'-P energy: -94.923
tors. eta vs tors. theta energy: -195.744
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: 7, replica: 6
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -2273.450728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.450728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.146787 (E_RNA)
where:
Base-Base interactions energy: -1608.980
where: short stacking energy: -677.478
Base-Backbone interact. energy: -1.279
local terms energy: -669.888103
where:
bonds (distance) C4'-P energy: -118.289
bonds (distance) P-C4' energy: -113.160
flat angles C4'-P-C4' energy: -143.463
flat angles P-C4'-P energy: -96.029
tors. eta vs tors. theta energy: -198.947
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: 8, replica: 9
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -2172.358811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.358811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.788015 (E_RNA)
where:
Base-Base interactions energy: -1544.936
where: short stacking energy: -651.752
Base-Backbone interact. energy: -3.384
local terms energy: -634.467813
where:
bonds (distance) C4'-P energy: -99.962
bonds (distance) P-C4' energy: -100.083
flat angles C4'-P-C4' energy: -156.628
flat angles P-C4'-P energy: -99.685
tors. eta vs tors. theta energy: -178.111
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: 9, replica: 4
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -1989.405667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.405667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.321517 (E_RNA)
where:
Base-Base interactions energy: -1421.183
where: short stacking energy: -607.570
Base-Backbone interact. energy: 5.971
local terms energy: -593.109453
where:
bonds (distance) C4'-P energy: -108.909
bonds (distance) P-C4' energy: -98.740
flat angles C4'-P-C4' energy: -119.421
flat angles P-C4'-P energy: -91.849
tors. eta vs tors. theta energy: -174.190
Dist. restrs. and SS energy: 18.916 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -1906.728500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.728500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.244363 (E_RNA)
where:
Base-Base interactions energy: -1321.954
where: short stacking energy: -559.708
Base-Backbone interact. energy: -0.568
local terms energy: -617.722488
where:
bonds (distance) C4'-P energy: -123.175
bonds (distance) P-C4' energy: -110.853
flat angles C4'-P-C4' energy: -131.466
flat angles P-C4'-P energy: -94.325
tors. eta vs tors. theta energy: -157.905
Dist. restrs. and SS energy: 33.516 (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: 233
Temperature: 0.900000
Total energy: -2796.466781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.466781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.936526 (E_RNA)
where:
Base-Base interactions energy: -1939.020
where: short stacking energy: -827.850
Base-Backbone interact. energy: -5.621
local terms energy: -855.295128
where:
bonds (distance) C4'-P energy: -148.783
bonds (distance) P-C4' energy: -156.818
flat angles C4'-P-C4' energy: -169.816
flat angles P-C4'-P energy: -120.405
tors. eta vs tors. theta energy: -259.473
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: 10
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -2740.913037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.913037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.955352 (E_RNA)
where:
Base-Base interactions energy: -1929.201
where: short stacking energy: -810.444
Base-Backbone interact. energy: -3.354
local terms energy: -818.400156
where:
bonds (distance) C4'-P energy: -141.014
bonds (distance) P-C4' energy: -134.165
flat angles C4'-P-C4' energy: -171.527
flat angles P-C4'-P energy: -129.040
tors. eta vs tors. theta energy: -242.654
Dist. restrs. and SS energy: 10.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -2660.689267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.689267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.289491 (E_RNA)
where:
Base-Base interactions energy: -1874.443
where: short stacking energy: -781.149
Base-Backbone interact. energy: -4.373
local terms energy: -788.473332
where:
bonds (distance) C4'-P energy: -131.856
bonds (distance) P-C4' energy: -139.641
flat angles C4'-P-C4' energy: -168.646
flat angles P-C4'-P energy: -102.732
tors. eta vs tors. theta energy: -245.599
Dist. restrs. and SS energy: 6.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -2622.815117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.815117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.411307 (E_RNA)
where:
Base-Base interactions energy: -1862.017
where: short stacking energy: -794.357
Base-Backbone interact. energy: 0.344
local terms energy: -765.738840
where:
bonds (distance) C4'-P energy: -139.345
bonds (distance) P-C4' energy: -132.030
flat angles C4'-P-C4' energy: -150.760
flat angles P-C4'-P energy: -111.253
tors. eta vs tors. theta energy: -232.351
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: 1
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -2387.499271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.499271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.264104 (E_RNA)
where:
Base-Base interactions energy: -1673.895
where: short stacking energy: -685.591
Base-Backbone interact. energy: -0.951
local terms energy: -723.417710
where:
bonds (distance) C4'-P energy: -125.071
bonds (distance) P-C4' energy: -130.279
flat angles C4'-P-C4' energy: -159.721
flat angles P-C4'-P energy: -101.651
tors. eta vs tors. theta energy: -206.696
Dist. restrs. and SS energy: 10.765 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -2363.122089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.122089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.338618 (E_RNA)
where:
Base-Base interactions energy: -1652.051
where: short stacking energy: -694.890
Base-Backbone interact. energy: -2.894
local terms energy: -717.393807
where:
bonds (distance) C4'-P energy: -125.402
bonds (distance) P-C4' energy: -130.106
flat angles C4'-P-C4' energy: -152.391
flat angles P-C4'-P energy: -104.309
tors. eta vs tors. theta energy: -205.186
Dist. restrs. and SS energy: 9.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -2252.824940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.824940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.522866 (E_RNA)
where:
Base-Base interactions energy: -1596.854
where: short stacking energy: -657.581
Base-Backbone interact. energy: -0.750
local terms energy: -664.918692
where:
bonds (distance) C4'-P energy: -108.931
bonds (distance) P-C4' energy: -128.844
flat angles C4'-P-C4' energy: -146.482
flat angles P-C4'-P energy: -102.192
tors. eta vs tors. theta energy: -178.469
Dist. restrs. and SS energy: 9.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -2207.748322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.748322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.646923 (E_RNA)
where:
Base-Base interactions energy: -1572.548
where: short stacking energy: -659.087
Base-Backbone interact. energy: -0.541
local terms energy: -640.557798
where:
bonds (distance) C4'-P energy: -98.101
bonds (distance) P-C4' energy: -115.310
flat angles C4'-P-C4' energy: -138.879
flat angles P-C4'-P energy: -95.446
tors. eta vs tors. theta energy: -192.821
Dist. restrs. and SS energy: 5.899 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -2043.697558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.697558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.192936 (E_RNA)
where:
Base-Base interactions energy: -1455.783
where: short stacking energy: -588.714
Base-Backbone interact. energy: -4.283
local terms energy: -603.127336
where:
bonds (distance) C4'-P energy: -124.269
bonds (distance) P-C4' energy: -108.434
flat angles C4'-P-C4' energy: -119.905
flat angles P-C4'-P energy: -78.141
tors. eta vs tors. theta energy: -172.378
Dist. restrs. and SS energy: 19.495 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -1912.159822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.159822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.652805 (E_RNA)
where:
Base-Base interactions energy: -1328.274
where: short stacking energy: -545.129
Base-Backbone interact. energy: 4.085
local terms energy: -617.463180
where:
bonds (distance) C4'-P energy: -117.866
bonds (distance) P-C4' energy: -136.011
flat angles C4'-P-C4' energy: -128.542
flat angles P-C4'-P energy: -82.583
tors. eta vs tors. theta energy: -152.462
Dist. restrs. and SS energy: 29.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -2789.136122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2789.136122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.010818 (E_RNA)
where:
Base-Base interactions energy: -1967.069
where: short stacking energy: -820.164
Base-Backbone interact. energy: -4.404
local terms energy: -821.538043
where:
bonds (distance) C4'-P energy: -130.084
bonds (distance) P-C4' energy: -144.155
flat angles C4'-P-C4' energy: -172.863
flat angles P-C4'-P energy: -134.782
tors. eta vs tors. theta energy: -239.654
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: 10
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -2728.271170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.271170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.390474 (E_RNA)
where:
Base-Base interactions energy: -1911.262
where: short stacking energy: -819.221
Base-Backbone interact. energy: -3.901
local terms energy: -816.228018
where:
bonds (distance) C4'-P energy: -133.163
bonds (distance) P-C4' energy: -139.263
flat angles C4'-P-C4' energy: -168.710
flat angles P-C4'-P energy: -123.085
tors. eta vs tors. theta energy: -252.006
Dist. restrs. and SS energy: 3.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -2666.161849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.161849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.844468 (E_RNA)
where:
Base-Base interactions energy: -1848.783
where: short stacking energy: -780.458
Base-Backbone interact. energy: -3.559
local terms energy: -820.501846
where:
bonds (distance) C4'-P energy: -139.898
bonds (distance) P-C4' energy: -142.603
flat angles C4'-P-C4' energy: -167.945
flat angles P-C4'-P energy: -126.073
tors. eta vs tors. theta energy: -243.983
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: 2
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -2580.057497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.057497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.759328 (E_RNA)
where:
Base-Base interactions energy: -1820.242
where: short stacking energy: -757.733
Base-Backbone interact. energy: -2.484
local terms energy: -762.032731
where:
bonds (distance) C4'-P energy: -139.794
bonds (distance) P-C4' energy: -139.234
flat angles C4'-P-C4' energy: -154.891
flat angles P-C4'-P energy: -103.999
tors. eta vs tors. theta energy: -224.115
Dist. restrs. and SS energy: 4.702 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -2415.293332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.293332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.811408 (E_RNA)
where:
Base-Base interactions energy: -1696.285
where: short stacking energy: -681.005
Base-Backbone interact. energy: 0.683
local terms energy: -727.209402
where:
bonds (distance) C4'-P energy: -116.023
bonds (distance) P-C4' energy: -148.566
flat angles C4'-P-C4' energy: -156.004
flat angles P-C4'-P energy: -92.968
tors. eta vs tors. theta energy: -213.648
Dist. restrs. and SS energy: 7.518 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -2331.270055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.270055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.357552 (E_RNA)
where:
Base-Base interactions energy: -1658.408
where: short stacking energy: -689.198
Base-Backbone interact. energy: -1.098
local terms energy: -678.852037
where:
bonds (distance) C4'-P energy: -117.895
bonds (distance) P-C4' energy: -116.701
flat angles C4'-P-C4' energy: -146.314
flat angles P-C4'-P energy: -92.187
tors. eta vs tors. theta energy: -205.755
Dist. restrs. and SS energy: 7.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -2308.121975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.121975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.991427 (E_RNA)
where:
Base-Base interactions energy: -1614.397
where: short stacking energy: -670.415
Base-Backbone interact. energy: 0.654
local terms energy: -706.249229
where:
bonds (distance) C4'-P energy: -118.646
bonds (distance) P-C4' energy: -142.674
flat angles C4'-P-C4' energy: -149.420
flat angles P-C4'-P energy: -97.312
tors. eta vs tors. theta energy: -198.197
Dist. restrs. and SS energy: 11.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -2148.820025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.820025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.897542 (E_RNA)
where:
Base-Base interactions energy: -1534.968
where: short stacking energy: -617.241
Base-Backbone interact. energy: 0.080
local terms energy: -618.010063
where:
bonds (distance) C4'-P energy: -94.410
bonds (distance) P-C4' energy: -126.486
flat angles C4'-P-C4' energy: -138.529
flat angles P-C4'-P energy: -88.168
tors. eta vs tors. theta energy: -170.417
Dist. restrs. and SS energy: 4.078 (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: 4
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -2068.062384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.062384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.861990 (E_RNA)
where:
Base-Base interactions energy: -1475.783
where: short stacking energy: -623.046
Base-Backbone interact. energy: 0.259
local terms energy: -610.338144
where:
bonds (distance) C4'-P energy: -85.776
bonds (distance) P-C4' energy: -116.220
flat angles C4'-P-C4' energy: -141.876
flat angles P-C4'-P energy: -96.202
tors. eta vs tors. theta energy: -170.264
Dist. restrs. and SS energy: 17.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -1928.725345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.725345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.696829 (E_RNA)
where:
Base-Base interactions energy: -1422.468
where: short stacking energy: -580.375
Base-Backbone interact. energy: 5.964
local terms energy: -534.192505
where:
bonds (distance) C4'-P energy: -96.085
bonds (distance) P-C4' energy: -107.329
flat angles C4'-P-C4' energy: -118.150
flat angles P-C4'-P energy: -60.010
tors. eta vs tors. theta energy: -152.619
Dist. restrs. and SS energy: 21.971 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -2831.806280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2831.806280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2835.063592 (E_RNA)
where:
Base-Base interactions energy: -1981.550
where: short stacking energy: -824.629
Base-Backbone interact. energy: -2.371
local terms energy: -851.142508
where:
bonds (distance) C4'-P energy: -140.790
bonds (distance) P-C4' energy: -141.767
flat angles C4'-P-C4' energy: -181.804
flat angles P-C4'-P energy: -134.247
tors. eta vs tors. theta energy: -252.534
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: 2, replica: 10
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -2724.951219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.951219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.718644 (E_RNA)
where:
Base-Base interactions energy: -1916.691
where: short stacking energy: -831.411
Base-Backbone interact. energy: -2.519
local terms energy: -807.508975
where:
bonds (distance) C4'-P energy: -135.564
bonds (distance) P-C4' energy: -133.136
flat angles C4'-P-C4' energy: -166.676
flat angles P-C4'-P energy: -118.423
tors. eta vs tors. theta energy: -253.710
Dist. restrs. and SS energy: 1.767 (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: 3
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -2675.247560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.247560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.230500 (E_RNA)
where:
Base-Base interactions energy: -1873.116
where: short stacking energy: -785.443
Base-Backbone interact. energy: 1.737
local terms energy: -808.850946
where:
bonds (distance) C4'-P energy: -151.858
bonds (distance) P-C4' energy: -138.070
flat angles C4'-P-C4' energy: -164.911
flat angles P-C4'-P energy: -117.898
tors. eta vs tors. theta energy: -236.113
Dist. restrs. and SS energy: 4.983 (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: 2
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -2559.091613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.091613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.432183 (E_RNA)
where:
Base-Base interactions energy: -1809.705
where: short stacking energy: -774.305
Base-Backbone interact. energy: -0.730
local terms energy: -758.997007
where:
bonds (distance) C4'-P energy: -134.497
bonds (distance) P-C4' energy: -128.603
flat angles C4'-P-C4' energy: -158.254
flat angles P-C4'-P energy: -103.406
tors. eta vs tors. theta energy: -234.237
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: 5, replica: 1
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -2456.493395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.493395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.566527 (E_RNA)
where:
Base-Base interactions energy: -1727.503
where: short stacking energy: -717.555
Base-Backbone interact. energy: 0.747
local terms energy: -738.810817
where:
bonds (distance) C4'-P energy: -148.107
bonds (distance) P-C4' energy: -126.300
flat angles C4'-P-C4' energy: -162.455
flat angles P-C4'-P energy: -90.595
tors. eta vs tors. theta energy: -211.353
Dist. restrs. and SS energy: 9.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -2375.369791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.369791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.089458 (E_RNA)
where:
Base-Base interactions energy: -1678.485
where: short stacking energy: -714.889
Base-Backbone interact. energy: -4.574
local terms energy: -704.030280
where:
bonds (distance) C4'-P energy: -118.270
bonds (distance) P-C4' energy: -133.142
flat angles C4'-P-C4' energy: -135.813
flat angles P-C4'-P energy: -102.971
tors. eta vs tors. theta energy: -213.833
Dist. restrs. and SS energy: 11.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -2252.432022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.432022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.799113 (E_RNA)
where:
Base-Base interactions energy: -1582.404
where: short stacking energy: -675.169
Base-Backbone interact. energy: -3.914
local terms energy: -675.481242
where:
bonds (distance) C4'-P energy: -115.549
bonds (distance) P-C4' energy: -119.910
flat angles C4'-P-C4' energy: -150.887
flat angles P-C4'-P energy: -88.733
tors. eta vs tors. theta energy: -200.402
Dist. restrs. and SS energy: 9.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -2222.441763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.441763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.196887 (E_RNA)
where:
Base-Base interactions energy: -1530.214
where: short stacking energy: -647.725
Base-Backbone interact. energy: -0.927
local terms energy: -702.056442
where:
bonds (distance) C4'-P energy: -119.806
bonds (distance) P-C4' energy: -139.158
flat angles C4'-P-C4' energy: -155.749
flat angles P-C4'-P energy: -79.235
tors. eta vs tors. theta energy: -208.109
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: 9, replica: 4
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -2019.731164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.731164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.607550 (E_RNA)
where:
Base-Base interactions energy: -1416.616
where: short stacking energy: -573.374
Base-Backbone interact. energy: -0.771
local terms energy: -618.220923
where:
bonds (distance) C4'-P energy: -124.839
bonds (distance) P-C4' energy: -132.475
flat angles C4'-P-C4' energy: -144.018
flat angles P-C4'-P energy: -66.427
tors. eta vs tors. theta energy: -150.461
Dist. restrs. and SS energy: 15.876 (S_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: 235
Temperature: 1.350000
Total energy: -1926.390454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.390454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.414124 (E_RNA)
where:
Base-Base interactions energy: -1368.230
where: short stacking energy: -576.247
Base-Backbone interact. energy: -3.219
local terms energy: -584.965818
where:
bonds (distance) C4'-P energy: -128.538
bonds (distance) P-C4' energy: -92.981
flat angles C4'-P-C4' energy: -129.186
flat angles P-C4'-P energy: -74.511
tors. eta vs tors. theta energy: -159.751
Dist. restrs. and SS energy: 30.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -2785.297541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.297541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.808643 (E_RNA)
where:
Base-Base interactions energy: -1921.073
where: short stacking energy: -807.961
Base-Backbone interact. energy: -4.857
local terms energy: -861.878740
where:
bonds (distance) C4'-P energy: -157.930
bonds (distance) P-C4' energy: -151.733
flat angles C4'-P-C4' energy: -169.306
flat angles P-C4'-P energy: -130.783
tors. eta vs tors. theta energy: -252.126
Dist. restrs. and SS energy: 2.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -2699.827852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.827852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.313108 (E_RNA)
where:
Base-Base interactions energy: -1885.609
where: short stacking energy: -805.822
Base-Backbone interact. energy: -5.097
local terms energy: -812.606814
where:
bonds (distance) C4'-P energy: -141.382
bonds (distance) P-C4' energy: -146.326
flat angles C4'-P-C4' energy: -166.999
flat angles P-C4'-P energy: -109.009
tors. eta vs tors. theta energy: -248.892
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: 3, replica: 3
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -2699.495868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.495868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.513343 (E_RNA)
where:
Base-Base interactions energy: -1884.396
where: short stacking energy: -787.563
Base-Backbone interact. energy: -2.495
local terms energy: -816.621441
where:
bonds (distance) C4'-P energy: -138.613
bonds (distance) P-C4' energy: -151.611
flat angles C4'-P-C4' energy: -167.898
flat angles P-C4'-P energy: -115.452
tors. eta vs tors. theta energy: -243.048
Dist. restrs. and SS energy: 4.017 (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: 2
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -2545.256918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.256918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.623705 (E_RNA)
where:
Base-Base interactions energy: -1764.401
where: short stacking energy: -752.430
Base-Backbone interact. energy: -0.900
local terms energy: -784.322706
where:
bonds (distance) C4'-P energy: -131.658
bonds (distance) P-C4' energy: -147.442
flat angles C4'-P-C4' energy: -160.585
flat angles P-C4'-P energy: -104.482
tors. eta vs tors. theta energy: -240.156
Dist. restrs. and SS energy: 4.367 (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: 236
Temperature: 1.100000
Total energy: -2454.302668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.302668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.524238 (E_RNA)
where:
Base-Base interactions energy: -1713.904
where: short stacking energy: -719.105
Base-Backbone interact. energy: -3.391
local terms energy: -748.229576
where:
bonds (distance) C4'-P energy: -129.957
bonds (distance) P-C4' energy: -136.526
flat angles C4'-P-C4' energy: -155.188
flat angles P-C4'-P energy: -111.724
tors. eta vs tors. theta energy: -214.835
Dist. restrs. and SS energy: 11.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -2337.224869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.224869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.714635 (E_RNA)
where:
Base-Base interactions energy: -1638.009
where: short stacking energy: -674.556
Base-Backbone interact. energy: -1.202
local terms energy: -702.503434
where:
bonds (distance) C4'-P energy: -133.773
bonds (distance) P-C4' energy: -128.241
flat angles C4'-P-C4' energy: -145.550
flat angles P-C4'-P energy: -102.969
tors. eta vs tors. theta energy: -191.970
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: 7, replica: 5
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -2280.217577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.217577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.848477 (E_RNA)
where:
Base-Base interactions energy: -1616.826
where: short stacking energy: -685.715
Base-Backbone interact. energy: -6.510
local terms energy: -664.513052
where:
bonds (distance) C4'-P energy: -105.163
bonds (distance) P-C4' energy: -127.403
flat angles C4'-P-C4' energy: -133.447
flat angles P-C4'-P energy: -104.445
tors. eta vs tors. theta energy: -194.055
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: 8, replica: 9
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -2192.466162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.466162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.842708 (E_RNA)
where:
Base-Base interactions energy: -1564.397
where: short stacking energy: -631.597
Base-Backbone interact. energy: -0.265
local terms energy: -638.180723
where:
bonds (distance) C4'-P energy: -114.908
bonds (distance) P-C4' energy: -108.514
flat angles C4'-P-C4' energy: -156.851
flat angles P-C4'-P energy: -79.512
tors. eta vs tors. theta energy: -178.396
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: 9, replica: 4
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -2011.487999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.487999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.882411 (E_RNA)
where:
Base-Base interactions energy: -1453.764
where: short stacking energy: -579.308
Base-Backbone interact. energy: -0.419
local terms energy: -577.698716
where:
bonds (distance) C4'-P energy: -103.197
bonds (distance) P-C4' energy: -114.016
flat angles C4'-P-C4' energy: -138.457
flat angles P-C4'-P energy: -58.628
tors. eta vs tors. theta energy: -163.401
Dist. restrs. and SS energy: 20.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -1932.305962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.305962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.742380 (E_RNA)
where:
Base-Base interactions energy: -1344.977
where: short stacking energy: -557.910
Base-Backbone interact. energy: -3.199
local terms energy: -607.566730
where:
bonds (distance) C4'-P energy: -112.948
bonds (distance) P-C4' energy: -110.377
flat angles C4'-P-C4' energy: -126.652
flat angles P-C4'-P energy: -87.027
tors. eta vs tors. theta energy: -170.563
Dist. restrs. and SS energy: 23.436 (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: 237
Temperature: 0.900000
Total energy: -2762.230896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.230896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.240218 (E_RNA)
where:
Base-Base interactions energy: -1932.384
where: short stacking energy: -794.693
Base-Backbone interact. energy: -0.930
local terms energy: -832.926381
where:
bonds (distance) C4'-P energy: -142.970
bonds (distance) P-C4' energy: -154.702
flat angles C4'-P-C4' energy: -166.392
flat angles P-C4'-P energy: -129.840
tors. eta vs tors. theta energy: -239.023
Dist. restrs. and SS energy: 4.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -2718.596873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.596873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.142757 (E_RNA)
where:
Base-Base interactions energy: -1912.120
where: short stacking energy: -808.122
Base-Backbone interact. energy: -4.261
local terms energy: -804.761439
where:
bonds (distance) C4'-P energy: -150.247
bonds (distance) P-C4' energy: -122.818
flat angles C4'-P-C4' energy: -165.714
flat angles P-C4'-P energy: -114.664
tors. eta vs tors. theta energy: -251.319
Dist. restrs. and SS energy: 2.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -2674.659813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.659813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.788282 (E_RNA)
where:
Base-Base interactions energy: -1902.626
where: short stacking energy: -808.708
Base-Backbone interact. energy: -2.409
local terms energy: -772.752590
where:
bonds (distance) C4'-P energy: -138.040
bonds (distance) P-C4' energy: -116.796
flat angles C4'-P-C4' energy: -157.119
flat angles P-C4'-P energy: -116.023
tors. eta vs tors. theta energy: -244.775
Dist. restrs. and SS energy: 3.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -2556.845258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.845258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.410736 (E_RNA)
where:
Base-Base interactions energy: -1792.698
where: short stacking energy: -753.082
Base-Backbone interact. energy: -1.783
local terms energy: -767.929921
where:
bonds (distance) C4'-P energy: -135.396
bonds (distance) P-C4' energy: -143.164
flat angles C4'-P-C4' energy: -155.608
flat angles P-C4'-P energy: -106.489
tors. eta vs tors. theta energy: -227.273
Dist. restrs. and SS energy: 5.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -2439.748206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.748206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.659864 (E_RNA)
where:
Base-Base interactions energy: -1707.691
where: short stacking energy: -704.570
Base-Backbone interact. energy: -1.144
local terms energy: -737.824424
where:
bonds (distance) C4'-P energy: -123.026
bonds (distance) P-C4' energy: -135.233
flat angles C4'-P-C4' energy: -157.708
flat angles P-C4'-P energy: -100.584
tors. eta vs tors. theta energy: -221.273
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: 6
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -2328.463556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.463556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.381789 (E_RNA)
where:
Base-Base interactions energy: -1650.002
where: short stacking energy: -662.011
Base-Backbone interact. energy: -3.583
local terms energy: -683.796407
where:
bonds (distance) C4'-P energy: -106.053
bonds (distance) P-C4' energy: -129.629
flat angles C4'-P-C4' energy: -162.343
flat angles P-C4'-P energy: -90.325
tors. eta vs tors. theta energy: -195.446
Dist. restrs. and SS energy: 8.918 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -2259.424752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.424752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.960804 (E_RNA)
where:
Base-Base interactions energy: -1602.884
where: short stacking energy: -689.464
Base-Backbone interact. energy: -2.034
local terms energy: -661.042944
where:
bonds (distance) C4'-P energy: -120.721
bonds (distance) P-C4' energy: -134.354
flat angles C4'-P-C4' energy: -120.529
flat angles P-C4'-P energy: -96.062
tors. eta vs tors. theta energy: -189.377
Dist. restrs. and SS energy: 6.536 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -2219.485668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.485668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.871516 (E_RNA)
where:
Base-Base interactions energy: -1602.116
where: short stacking energy: -642.527
Base-Backbone interact. energy: -2.832
local terms energy: -629.923600
where:
bonds (distance) C4'-P energy: -111.570
bonds (distance) P-C4' energy: -86.019
flat angles C4'-P-C4' energy: -141.667
flat angles P-C4'-P energy: -104.779
tors. eta vs tors. theta energy: -185.889
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: 9, replica: 4
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -2048.934253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.934253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.247081 (E_RNA)
where:
Base-Base interactions energy: -1453.510
where: short stacking energy: -604.886
Base-Backbone interact. energy: 1.658
local terms energy: -613.395701
where:
bonds (distance) C4'-P energy: -118.958
bonds (distance) P-C4' energy: -107.491
flat angles C4'-P-C4' energy: -142.915
flat angles P-C4'-P energy: -93.493
tors. eta vs tors. theta energy: -150.538
Dist. restrs. and SS energy: 16.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -1943.354425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.354425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.381539 (E_RNA)
where:
Base-Base interactions energy: -1368.146
where: short stacking energy: -571.082
Base-Backbone interact. energy: -2.551
local terms energy: -607.685064
where:
bonds (distance) C4'-P energy: -98.300
bonds (distance) P-C4' energy: -119.565
flat angles C4'-P-C4' energy: -120.756
flat angles P-C4'-P energy: -102.534
tors. eta vs tors. theta energy: -166.531
Dist. restrs. and SS energy: 35.027 (S_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: 238
Temperature: 0.900000
Total energy: -2777.519561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.519561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2780.534096 (E_RNA)
where:
Base-Base interactions energy: -1979.046
where: short stacking energy: -800.730
Base-Backbone interact. energy: -1.448
local terms energy: -800.039834
where:
bonds (distance) C4'-P energy: -130.973
bonds (distance) P-C4' energy: -141.045
flat angles C4'-P-C4' energy: -165.778
flat angles P-C4'-P energy: -125.493
tors. eta vs tors. theta energy: -236.751
Dist. restrs. and SS energy: 3.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -2699.813750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.813750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.402890 (E_RNA)
where:
Base-Base interactions energy: -1910.244
where: short stacking energy: -811.141
Base-Backbone interact. energy: -4.995
local terms energy: -788.163966
where:
bonds (distance) C4'-P energy: -132.121
bonds (distance) P-C4' energy: -145.068
flat angles C4'-P-C4' energy: -154.194
flat angles P-C4'-P energy: -118.919
tors. eta vs tors. theta energy: -237.862
Dist. restrs. and SS energy: 3.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -2710.806656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.806656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.126468 (E_RNA)
where:
Base-Base interactions energy: -1927.621
where: short stacking energy: -815.762
Base-Backbone interact. energy: 7.325
local terms energy: -793.830200
where:
bonds (distance) C4'-P energy: -129.503
bonds (distance) P-C4' energy: -131.388
flat angles C4'-P-C4' energy: -164.096
flat angles P-C4'-P energy: -118.054
tors. eta vs tors. theta energy: -250.789
Dist. restrs. and SS energy: 3.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -2577.416047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.416047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.570893 (E_RNA)
where:
Base-Base interactions energy: -1825.238
where: short stacking energy: -787.624
Base-Backbone interact. energy: -2.607
local terms energy: -753.725681
where:
bonds (distance) C4'-P energy: -116.780
bonds (distance) P-C4' energy: -139.256
flat angles C4'-P-C4' energy: -154.671
flat angles P-C4'-P energy: -101.373
tors. eta vs tors. theta energy: -241.646
Dist. restrs. and SS energy: 4.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -2437.461327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.461327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.662153 (E_RNA)
where:
Base-Base interactions energy: -1715.650
where: short stacking energy: -730.988
Base-Backbone interact. energy: -2.349
local terms energy: -726.662774
where:
bonds (distance) C4'-P energy: -122.311
bonds (distance) P-C4' energy: -137.945
flat angles C4'-P-C4' energy: -160.715
flat angles P-C4'-P energy: -86.979
tors. eta vs tors. theta energy: -218.713
Dist. restrs. and SS energy: 7.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -2295.254815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.254815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.400763 (E_RNA)
where:
Base-Base interactions energy: -1607.135
where: short stacking energy: -677.691
Base-Backbone interact. energy: 1.474
local terms energy: -697.739336
where:
bonds (distance) C4'-P energy: -119.553
bonds (distance) P-C4' energy: -136.247
flat angles C4'-P-C4' energy: -153.262
flat angles P-C4'-P energy: -101.659
tors. eta vs tors. theta energy: -187.018
Dist. restrs. and SS energy: 8.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -2269.173562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.173562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.717272 (E_RNA)
where:
Base-Base interactions energy: -1641.140
where: short stacking energy: -677.861
Base-Backbone interact. energy: -1.573
local terms energy: -633.003630
where:
bonds (distance) C4'-P energy: -102.854
bonds (distance) P-C4' energy: -103.065
flat angles C4'-P-C4' energy: -140.738
flat angles P-C4'-P energy: -96.482
tors. eta vs tors. theta energy: -189.864
Dist. restrs. and SS energy: 6.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -2202.325726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.325726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.316716 (E_RNA)
where:
Base-Base interactions energy: -1565.364
where: short stacking energy: -649.128
Base-Backbone interact. energy: 3.359
local terms energy: -647.311812
where:
bonds (distance) C4'-P energy: -96.806
bonds (distance) P-C4' energy: -111.997
flat angles C4'-P-C4' energy: -148.447
flat angles P-C4'-P energy: -96.054
tors. eta vs tors. theta energy: -194.008
Dist. restrs. and SS energy: 6.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -2011.453481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.453481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.139962 (E_RNA)
where:
Base-Base interactions energy: -1396.016
where: short stacking energy: -605.639
Base-Backbone interact. energy: 3.862
local terms energy: -636.986286
where:
bonds (distance) C4'-P energy: -111.860
bonds (distance) P-C4' energy: -128.251
flat angles C4'-P-C4' energy: -129.975
flat angles P-C4'-P energy: -104.322
tors. eta vs tors. theta energy: -162.580
Dist. restrs. and SS energy: 17.686 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -1929.452528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.452528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.112092 (E_RNA)
where:
Base-Base interactions energy: -1385.003
where: short stacking energy: -581.968
Base-Backbone interact. energy: 3.562
local terms energy: -565.671844
where:
bonds (distance) C4'-P energy: -101.078
bonds (distance) P-C4' energy: -113.328
flat angles C4'-P-C4' energy: -131.675
flat angles P-C4'-P energy: -62.113
tors. eta vs tors. theta energy: -157.478
Dist. restrs. and SS energy: 17.660 (S_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: 239
Temperature: 0.900000
Total energy: -2773.605670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2773.605670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.843523 (E_RNA)
where:
Base-Base interactions energy: -1940.269
where: short stacking energy: -784.733
Base-Backbone interact. energy: -2.886
local terms energy: -833.688135
where:
bonds (distance) C4'-P energy: -141.364
bonds (distance) P-C4' energy: -155.738
flat angles C4'-P-C4' energy: -168.670
flat angles P-C4'-P energy: -125.344
tors. eta vs tors. theta energy: -242.572
Dist. restrs. and SS energy: 3.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -2730.771362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.771362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.612394 (E_RNA)
where:
Base-Base interactions energy: -1903.348
where: short stacking energy: -818.317
Base-Backbone interact. energy: 1.269
local terms energy: -832.533571
where:
bonds (distance) C4'-P energy: -144.853
bonds (distance) P-C4' energy: -138.002
flat angles C4'-P-C4' energy: -176.089
flat angles P-C4'-P energy: -118.052
tors. eta vs tors. theta energy: -255.537
Dist. restrs. and SS energy: 3.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -2685.457081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.457081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.081296 (E_RNA)
where:
Base-Base interactions energy: -1906.488
where: short stacking energy: -777.568
Base-Backbone interact. energy: -2.265
local terms energy: -781.328243
where:
bonds (distance) C4'-P energy: -126.522
bonds (distance) P-C4' energy: -142.859
flat angles C4'-P-C4' energy: -169.187
flat angles P-C4'-P energy: -104.767
tors. eta vs tors. theta energy: -237.993
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: 4, replica: 2
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -2557.457907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.457907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.549818 (E_RNA)
where:
Base-Base interactions energy: -1807.935
where: short stacking energy: -757.550
Base-Backbone interact. energy: -0.608
local terms energy: -751.007192
where:
bonds (distance) C4'-P energy: -130.306
bonds (distance) P-C4' energy: -126.870
flat angles C4'-P-C4' energy: -161.560
flat angles P-C4'-P energy: -100.973
tors. eta vs tors. theta energy: -231.298
Dist. restrs. and SS energy: 2.092 (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: 1
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -2461.568941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.568941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.173495 (E_RNA)
where:
Base-Base interactions energy: -1748.007
where: short stacking energy: -735.552
Base-Backbone interact. energy: -2.183
local terms energy: -720.983010
where:
bonds (distance) C4'-P energy: -116.702
bonds (distance) P-C4' energy: -128.794
flat angles C4'-P-C4' energy: -148.554
flat angles P-C4'-P energy: -94.402
tors. eta vs tors. theta energy: -232.531
Dist. restrs. and SS energy: 9.605 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -2339.985828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.985828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.976239 (E_RNA)
where:
Base-Base interactions energy: -1635.042
where: short stacking energy: -689.376
Base-Backbone interact. energy: -2.981
local terms energy: -710.952806
where:
bonds (distance) C4'-P energy: -123.819
bonds (distance) P-C4' energy: -121.532
flat angles C4'-P-C4' energy: -164.795
flat angles P-C4'-P energy: -92.282
tors. eta vs tors. theta energy: -208.524
Dist. restrs. and SS energy: 8.990 (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: 9
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -2246.305072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.305072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.549514 (E_RNA)
where:
Base-Base interactions energy: -1606.806
where: short stacking energy: -642.558
Base-Backbone interact. energy: -0.943
local terms energy: -649.800684
where:
bonds (distance) C4'-P energy: -119.846
bonds (distance) P-C4' energy: -105.591
flat angles C4'-P-C4' energy: -135.552
flat angles P-C4'-P energy: -94.732
tors. eta vs tors. theta energy: -194.080
Dist. restrs. and SS energy: 11.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -2208.786680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.786680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.906169 (E_RNA)
where:
Base-Base interactions energy: -1553.081
where: short stacking energy: -610.276
Base-Backbone interact. energy: -3.057
local terms energy: -660.767672
where:
bonds (distance) C4'-P energy: -108.207
bonds (distance) P-C4' energy: -116.656
flat angles C4'-P-C4' energy: -147.558
flat angles P-C4'-P energy: -105.634
tors. eta vs tors. theta energy: -182.713
Dist. restrs. and SS energy: 8.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -1996.140224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.140224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.207608 (E_RNA)
where:
Base-Base interactions energy: -1397.710
where: short stacking energy: -588.101
Base-Backbone interact. energy: -0.711
local terms energy: -620.786872
where:
bonds (distance) C4'-P energy: -100.792
bonds (distance) P-C4' energy: -117.982
flat angles C4'-P-C4' energy: -139.017
flat angles P-C4'-P energy: -94.889
tors. eta vs tors. theta energy: -168.107
Dist. restrs. and SS energy: 23.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -1969.971667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.971667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.648470 (E_RNA)
where:
Base-Base interactions energy: -1387.386
where: short stacking energy: -563.506
Base-Backbone interact. energy: -1.747
local terms energy: -603.514852
where:
bonds (distance) C4'-P energy: -113.378
bonds (distance) P-C4' energy: -125.709
flat angles C4'-P-C4' energy: -124.017
flat angles P-C4'-P energy: -94.652
tors. eta vs tors. theta energy: -145.758
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: 1, replica: 8
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -2760.000530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2760.000530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2763.711689 (E_RNA)
where:
Base-Base interactions energy: -1920.768
where: short stacking energy: -807.325
Base-Backbone interact. energy: -4.404
local terms energy: -838.540283
where:
bonds (distance) C4'-P energy: -147.316
bonds (distance) P-C4' energy: -164.541
flat angles C4'-P-C4' energy: -158.894
flat angles P-C4'-P energy: -130.379
tors. eta vs tors. theta energy: -237.410
Dist. restrs. and SS energy: 3.711 (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: 10
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -2708.164168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.164168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.984493 (E_RNA)
where:
Base-Base interactions energy: -1876.571
where: short stacking energy: -794.241
Base-Backbone interact. energy: -3.601
local terms energy: -831.812960
where:
bonds (distance) C4'-P energy: -138.569
bonds (distance) P-C4' energy: -149.762
flat angles C4'-P-C4' energy: -166.030
flat angles P-C4'-P energy: -121.402
tors. eta vs tors. theta energy: -256.051
Dist. restrs. and SS energy: 3.820 (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: 3
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -2661.622384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.622384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.431571 (E_RNA)
where:
Base-Base interactions energy: -1885.774
where: short stacking energy: -791.828
Base-Backbone interact. energy: -3.139
local terms energy: -776.518197
where:
bonds (distance) C4'-P energy: -126.112
bonds (distance) P-C4' energy: -149.398
flat angles C4'-P-C4' energy: -161.168
flat angles P-C4'-P energy: -101.465
tors. eta vs tors. theta energy: -238.375
Dist. restrs. and SS energy: 3.809 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -2532.993206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.993206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.019737 (E_RNA)
where:
Base-Base interactions energy: -1779.138
where: short stacking energy: -774.083
Base-Backbone interact. energy: -2.519
local terms energy: -754.363008
where:
bonds (distance) C4'-P energy: -124.488
bonds (distance) P-C4' energy: -130.027
flat angles C4'-P-C4' energy: -168.852
flat angles P-C4'-P energy: -107.146
tors. eta vs tors. theta energy: -223.850
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: 5, replica: 1
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -2449.395800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.395800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.728891 (E_RNA)
where:
Base-Base interactions energy: -1677.758
where: short stacking energy: -734.692
Base-Backbone interact. energy: 0.264
local terms energy: -781.234987
where:
bonds (distance) C4'-P energy: -142.455
bonds (distance) P-C4' energy: -121.650
flat angles C4'-P-C4' energy: -165.080
flat angles P-C4'-P energy: -126.611
tors. eta vs tors. theta energy: -225.439
Dist. restrs. and SS energy: 9.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -2319.406108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.406108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.240858 (E_RNA)
where:
Base-Base interactions energy: -1651.035
where: short stacking energy: -665.483
Base-Backbone interact. energy: 2.222
local terms energy: -677.428401
where:
bonds (distance) C4'-P energy: -117.519
bonds (distance) P-C4' energy: -116.764
flat angles C4'-P-C4' energy: -142.336
flat angles P-C4'-P energy: -110.090
tors. eta vs tors. theta energy: -190.719
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: 7, replica: 5
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -2242.512962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.512962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.077975 (E_RNA)
where:
Base-Base interactions energy: -1576.656
where: short stacking energy: -642.669
Base-Backbone interact. energy: -4.558
local terms energy: -666.863653
where:
bonds (distance) C4'-P energy: -98.758
bonds (distance) P-C4' energy: -131.232
flat angles C4'-P-C4' energy: -145.438
flat angles P-C4'-P energy: -101.051
tors. eta vs tors. theta energy: -190.386
Dist. restrs. and SS energy: 5.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -2215.999426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.999426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.746846 (E_RNA)
where:
Base-Base interactions energy: -1564.492
where: short stacking energy: -652.680
Base-Backbone interact. energy: -3.715
local terms energy: -660.539946
where:
bonds (distance) C4'-P energy: -111.278
bonds (distance) P-C4' energy: -112.096
flat angles C4'-P-C4' energy: -150.766
flat angles P-C4'-P energy: -104.224
tors. eta vs tors. theta energy: -182.176
Dist. restrs. and SS energy: 12.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -1962.948783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.948783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.958453 (E_RNA)
where:
Base-Base interactions energy: -1403.023
where: short stacking energy: -560.529
Base-Backbone interact. energy: 2.817
local terms energy: -585.753249
where:
bonds (distance) C4'-P energy: -94.981
bonds (distance) P-C4' energy: -105.561
flat angles C4'-P-C4' energy: -142.218
flat angles P-C4'-P energy: -84.023
tors. eta vs tors. theta energy: -158.971
Dist. restrs. and SS energy: 23.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -1955.819236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.819236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.054446 (E_RNA)
where:
Base-Base interactions energy: -1424.520
where: short stacking energy: -576.996
Base-Backbone interact. energy: -3.056
local terms energy: -549.478269
where:
bonds (distance) C4'-P energy: -108.225
bonds (distance) P-C4' energy: -84.657
flat angles C4'-P-C4' energy: -125.612
flat angles P-C4'-P energy: -72.711
tors. eta vs tors. theta energy: -158.273
Dist. restrs. and SS energy: 21.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -2741.845769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.845769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.223863 (E_RNA)
where:
Base-Base interactions energy: -1923.746
where: short stacking energy: -821.071
Base-Backbone interact. energy: -3.175
local terms energy: -818.302616
where:
bonds (distance) C4'-P energy: -134.897
bonds (distance) P-C4' energy: -148.672
flat angles C4'-P-C4' energy: -166.654
flat angles P-C4'-P energy: -118.157
tors. eta vs tors. theta energy: -249.922
Dist. restrs. and SS energy: 3.378 (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: 10
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -2729.797247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.797247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.278473 (E_RNA)
where:
Base-Base interactions energy: -1899.547
where: short stacking energy: -821.745
Base-Backbone interact. energy: -3.142
local terms energy: -830.588910
where:
bonds (distance) C4'-P energy: -136.284
bonds (distance) P-C4' energy: -148.229
flat angles C4'-P-C4' energy: -170.587
flat angles P-C4'-P energy: -120.185
tors. eta vs tors. theta energy: -255.304
Dist. restrs. and SS energy: 3.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -2655.185176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.185176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.427372 (E_RNA)
where:
Base-Base interactions energy: -1864.786
where: short stacking energy: -766.755
Base-Backbone interact. energy: -3.984
local terms energy: -789.657891
where:
bonds (distance) C4'-P energy: -144.090
bonds (distance) P-C4' energy: -141.371
flat angles C4'-P-C4' energy: -160.025
flat angles P-C4'-P energy: -111.758
tors. eta vs tors. theta energy: -232.414
Dist. restrs. and SS energy: 3.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -2479.286586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.286586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.156930 (E_RNA)
where:
Base-Base interactions energy: -1720.726
where: short stacking energy: -732.555
Base-Backbone interact. energy: -4.542
local terms energy: -758.888742
where:
bonds (distance) C4'-P energy: -138.131
bonds (distance) P-C4' energy: -134.391
flat angles C4'-P-C4' energy: -170.628
flat angles P-C4'-P energy: -109.671
tors. eta vs tors. theta energy: -206.068
Dist. restrs. and SS energy: 4.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -2462.779163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.779163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.650558 (E_RNA)
where:
Base-Base interactions energy: -1737.568
where: short stacking energy: -729.702
Base-Backbone interact. energy: -3.291
local terms energy: -727.791729
where:
bonds (distance) C4'-P energy: -114.577
bonds (distance) P-C4' energy: -133.602
flat angles C4'-P-C4' energy: -157.238
flat angles P-C4'-P energy: -108.138
tors. eta vs tors. theta energy: -214.236
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: 6, replica: 6
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -2301.651889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.651889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.870840 (E_RNA)
where:
Base-Base interactions energy: -1606.586
where: short stacking energy: -661.792
Base-Backbone interact. energy: 0.989
local terms energy: -702.273005
where:
bonds (distance) C4'-P energy: -144.485
bonds (distance) P-C4' energy: -118.429
flat angles C4'-P-C4' energy: -140.620
flat angles P-C4'-P energy: -102.966
tors. eta vs tors. theta energy: -195.773
Dist. restrs. and SS energy: 6.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -2234.753548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.753548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.436524 (E_RNA)
where:
Base-Base interactions energy: -1631.445
where: short stacking energy: -637.974
Base-Backbone interact. energy: -2.190
local terms energy: -607.800853
where:
bonds (distance) C4'-P energy: -110.264
bonds (distance) P-C4' energy: -90.440
flat angles C4'-P-C4' energy: -141.176
flat angles P-C4'-P energy: -79.327
tors. eta vs tors. theta energy: -186.594
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: 8, replica: 9
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -2218.136174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.136174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.154061 (E_RNA)
where:
Base-Base interactions energy: -1591.550
where: short stacking energy: -673.022
Base-Backbone interact. energy: 0.888
local terms energy: -644.491628
where:
bonds (distance) C4'-P energy: -106.410
bonds (distance) P-C4' energy: -116.090
flat angles C4'-P-C4' energy: -153.415
flat angles P-C4'-P energy: -91.510
tors. eta vs tors. theta energy: -177.066
Dist. restrs. and SS energy: 17.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -1939.536347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.536347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.219181 (E_RNA)
where:
Base-Base interactions energy: -1364.716
where: short stacking energy: -556.575
Base-Backbone interact. energy: -0.421
local terms energy: -591.082216
where:
bonds (distance) C4'-P energy: -111.923
bonds (distance) P-C4' energy: -97.682
flat angles C4'-P-C4' energy: -137.394
flat angles P-C4'-P energy: -90.271
tors. eta vs tors. theta energy: -153.812
Dist. restrs. and SS energy: 16.683 (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: 7
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -1970.754974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.754974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.051098 (E_RNA)
where:
Base-Base interactions energy: -1413.122
where: short stacking energy: -585.724
Base-Backbone interact. energy: -2.036
local terms energy: -575.893205
where:
bonds (distance) C4'-P energy: -106.080
bonds (distance) P-C4' energy: -120.250
flat angles C4'-P-C4' energy: -121.366
flat angles P-C4'-P energy: -70.941
tors. eta vs tors. theta energy: -157.256
Dist. restrs. and SS energy: 20.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -2731.613244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2731.613244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.236094 (E_RNA)
where:
Base-Base interactions energy: -1894.793
where: short stacking energy: -823.581
Base-Backbone interact. energy: -2.309
local terms energy: -838.134428
where:
bonds (distance) C4'-P energy: -137.061
bonds (distance) P-C4' energy: -158.702
flat angles C4'-P-C4' energy: -171.043
flat angles P-C4'-P energy: -121.691
tors. eta vs tors. theta energy: -249.638
Dist. restrs. and SS energy: 3.623 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -2686.452906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.452906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.332724 (E_RNA)
where:
Base-Base interactions energy: -1900.161
where: short stacking energy: -806.938
Base-Backbone interact. energy: -3.861
local terms energy: -788.310240
where:
bonds (distance) C4'-P energy: -128.774
bonds (distance) P-C4' energy: -141.948
flat angles C4'-P-C4' energy: -159.308
flat angles P-C4'-P energy: -117.592
tors. eta vs tors. theta energy: -240.688
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: 3, replica: 3
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -2660.626891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.626891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.762091 (E_RNA)
where:
Base-Base interactions energy: -1885.165
where: short stacking energy: -799.883
Base-Backbone interact. energy: -1.014
local terms energy: -779.583568
where:
bonds (distance) C4'-P energy: -119.337
bonds (distance) P-C4' energy: -151.550
flat angles C4'-P-C4' energy: -156.874
flat angles P-C4'-P energy: -114.412
tors. eta vs tors. theta energy: -237.411
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: 4, replica: 2
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -2539.736495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.736495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.083628 (E_RNA)
where:
Base-Base interactions energy: -1787.602
where: short stacking energy: -761.197
Base-Backbone interact. energy: -1.290
local terms energy: -756.191652
where:
bonds (distance) C4'-P energy: -143.974
bonds (distance) P-C4' energy: -124.241
flat angles C4'-P-C4' energy: -166.483
flat angles P-C4'-P energy: -99.442
tors. eta vs tors. theta energy: -222.051
Dist. restrs. and SS energy: 5.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -2459.864450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.864450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.783980 (E_RNA)
where:
Base-Base interactions energy: -1721.010
where: short stacking energy: -723.125
Base-Backbone interact. energy: -2.205
local terms energy: -743.569614
where:
bonds (distance) C4'-P energy: -115.219
bonds (distance) P-C4' energy: -142.697
flat angles C4'-P-C4' energy: -164.658
flat angles P-C4'-P energy: -95.690
tors. eta vs tors. theta energy: -225.305
Dist. restrs. and SS energy: 6.920 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -2335.495518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.495518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.655171 (E_RNA)
where:
Base-Base interactions energy: -1652.165
where: short stacking energy: -704.159
Base-Backbone interact. energy: -2.898
local terms energy: -685.592332
where:
bonds (distance) C4'-P energy: -110.032
bonds (distance) P-C4' energy: -126.303
flat angles C4'-P-C4' energy: -150.045
flat angles P-C4'-P energy: -92.068
tors. eta vs tors. theta energy: -207.144
Dist. restrs. and SS energy: 5.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -2248.723861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.723861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.930132 (E_RNA)
where:
Base-Base interactions energy: -1608.949
where: short stacking energy: -661.846
Base-Backbone interact. energy: 2.019
local terms energy: -653.999778
where:
bonds (distance) C4'-P energy: -128.107
bonds (distance) P-C4' energy: -110.096
flat angles C4'-P-C4' energy: -145.266
flat angles P-C4'-P energy: -93.449
tors. eta vs tors. theta energy: -177.082
Dist. restrs. and SS energy: 12.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -2126.351685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.351685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.249631 (E_RNA)
where:
Base-Base interactions energy: -1508.655
where: short stacking energy: -626.165
Base-Backbone interact. energy: 4.634
local terms energy: -634.228275
where:
bonds (distance) C4'-P energy: -92.901
bonds (distance) P-C4' energy: -119.552
flat angles C4'-P-C4' energy: -153.557
flat angles P-C4'-P energy: -88.635
tors. eta vs tors. theta energy: -179.583
Dist. restrs. and SS energy: 11.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -1948.352222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.352222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.649615 (E_RNA)
where:
Base-Base interactions energy: -1384.031
where: short stacking energy: -551.482
Base-Backbone interact. energy: 1.747
local terms energy: -590.364955
where:
bonds (distance) C4'-P energy: -95.299
bonds (distance) P-C4' energy: -118.492
flat angles C4'-P-C4' energy: -132.761
flat angles P-C4'-P energy: -91.810
tors. eta vs tors. theta energy: -152.003
Dist. restrs. and SS energy: 24.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -1950.058639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.058639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.597504 (E_RNA)
where:
Base-Base interactions energy: -1354.240
where: short stacking energy: -536.336
Base-Backbone interact. energy: -0.265
local terms energy: -616.092276
where:
bonds (distance) C4'-P energy: -112.904
bonds (distance) P-C4' energy: -130.753
flat angles C4'-P-C4' energy: -147.615
flat angles P-C4'-P energy: -72.791
tors. eta vs tors. theta energy: -152.029
Dist. restrs. and SS energy: 20.539 (S_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: 243
Temperature: 0.900000
Total energy: -2737.761471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.761471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.330382 (E_RNA)
where:
Base-Base interactions energy: -1909.558
where: short stacking energy: -801.588
Base-Backbone interact. energy: -4.025
local terms energy: -826.747468
where:
bonds (distance) C4'-P energy: -129.658
bonds (distance) P-C4' energy: -151.530
flat angles C4'-P-C4' energy: -181.039
flat angles P-C4'-P energy: -126.006
tors. eta vs tors. theta energy: -238.513
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: 3
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -2717.917274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.917274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.603675 (E_RNA)
where:
Base-Base interactions energy: -1905.996
where: short stacking energy: -804.689
Base-Backbone interact. energy: -2.907
local terms energy: -811.700467
where:
bonds (distance) C4'-P energy: -146.119
bonds (distance) P-C4' energy: -132.243
flat angles C4'-P-C4' energy: -171.495
flat angles P-C4'-P energy: -114.339
tors. eta vs tors. theta energy: -247.504
Dist. restrs. and SS energy: 2.686 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -2668.292573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.292573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.810522 (E_RNA)
where:
Base-Base interactions energy: -1843.770
where: short stacking energy: -794.782
Base-Backbone interact. energy: -3.579
local terms energy: -824.461725
where:
bonds (distance) C4'-P energy: -147.610
bonds (distance) P-C4' energy: -135.044
flat angles C4'-P-C4' energy: -159.495
flat angles P-C4'-P energy: -128.882
tors. eta vs tors. theta energy: -253.431
Dist. restrs. and SS energy: 3.518 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -2566.284397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.284397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.016305 (E_RNA)
where:
Base-Base interactions energy: -1824.575
where: short stacking energy: -767.245
Base-Backbone interact. energy: -0.097
local terms energy: -745.343809
where:
bonds (distance) C4'-P energy: -138.100
bonds (distance) P-C4' energy: -115.979
flat angles C4'-P-C4' energy: -157.571
flat angles P-C4'-P energy: -104.890
tors. eta vs tors. theta energy: -228.804
Dist. restrs. and SS energy: 3.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -2459.279754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.279754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.606948 (E_RNA)
where:
Base-Base interactions energy: -1716.569
where: short stacking energy: -739.713
Base-Backbone interact. energy: -3.763
local terms energy: -747.275392
where:
bonds (distance) C4'-P energy: -125.971
bonds (distance) P-C4' energy: -138.089
flat angles C4'-P-C4' energy: -158.278
flat angles P-C4'-P energy: -109.507
tors. eta vs tors. theta energy: -215.431
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: 6, replica: 6
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -2351.365590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.365590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.343434 (E_RNA)
where:
Base-Base interactions energy: -1674.636
where: short stacking energy: -669.832
Base-Backbone interact. energy: 1.397
local terms energy: -685.103973
where:
bonds (distance) C4'-P energy: -113.435
bonds (distance) P-C4' energy: -130.524
flat angles C4'-P-C4' energy: -141.783
flat angles P-C4'-P energy: -94.681
tors. eta vs tors. theta energy: -204.682
Dist. restrs. and SS energy: 6.978 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -2246.755199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.755199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.127308 (E_RNA)
where:
Base-Base interactions energy: -1602.076
where: short stacking energy: -659.730
Base-Backbone interact. energy: 0.096
local terms energy: -665.147377
where:
bonds (distance) C4'-P energy: -110.422
bonds (distance) P-C4' energy: -127.307
flat angles C4'-P-C4' energy: -130.403
flat angles P-C4'-P energy: -101.539
tors. eta vs tors. theta energy: -195.476
Dist. restrs. and SS energy: 20.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -2142.429680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.429680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.914558 (E_RNA)
where:
Base-Base interactions energy: -1541.683
where: short stacking energy: -604.961
Base-Backbone interact. energy: -0.913
local terms energy: -610.318901
where:
bonds (distance) C4'-P energy: -110.634
bonds (distance) P-C4' energy: -107.885
flat angles C4'-P-C4' energy: -139.470
flat angles P-C4'-P energy: -75.780
tors. eta vs tors. theta energy: -176.551
Dist. restrs. and SS energy: 10.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -1982.204586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.204586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.349018 (E_RNA)
where:
Base-Base interactions energy: -1402.282
where: short stacking energy: -574.934
Base-Backbone interact. energy: -3.440
local terms energy: -593.627244
where:
bonds (distance) C4'-P energy: -113.684
bonds (distance) P-C4' energy: -116.252
flat angles C4'-P-C4' energy: -122.839
flat angles P-C4'-P energy: -83.697
tors. eta vs tors. theta energy: -157.155
Dist. restrs. and SS energy: 17.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -1959.971941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.971941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.889080 (E_RNA)
where:
Base-Base interactions energy: -1405.606
where: short stacking energy: -577.981
Base-Backbone interact. energy: -2.463
local terms energy: -578.820067
where:
bonds (distance) C4'-P energy: -88.169
bonds (distance) P-C4' energy: -134.465
flat angles C4'-P-C4' energy: -130.507
flat angles P-C4'-P energy: -61.935
tors. eta vs tors. theta energy: -163.744
Dist. restrs. and SS energy: 26.917 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -2747.475616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2747.475616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.558418 (E_RNA)
where:
Base-Base interactions energy: -1906.991
where: short stacking energy: -797.441
Base-Backbone interact. energy: -2.267
local terms energy: -840.300760
where:
bonds (distance) C4'-P energy: -163.151
bonds (distance) P-C4' energy: -145.265
flat angles C4'-P-C4' energy: -171.949
flat angles P-C4'-P energy: -116.290
tors. eta vs tors. theta energy: -243.645
Dist. restrs. and SS energy: 2.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -2742.944171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.944171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.138926 (E_RNA)
where:
Base-Base interactions energy: -1928.012
where: short stacking energy: -843.516
Base-Backbone interact. energy: -0.697
local terms energy: -816.429852
where:
bonds (distance) C4'-P energy: -148.206
bonds (distance) P-C4' energy: -148.924
flat angles C4'-P-C4' energy: -154.917
flat angles P-C4'-P energy: -113.552
tors. eta vs tors. theta energy: -250.830
Dist. restrs. and SS energy: 2.195 (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: 10
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -2651.562966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.562966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.679732 (E_RNA)
where:
Base-Base interactions energy: -1854.481
where: short stacking energy: -766.747
Base-Backbone interact. energy: -4.500
local terms energy: -800.698051
where:
bonds (distance) C4'-P energy: -130.790
bonds (distance) P-C4' energy: -140.244
flat angles C4'-P-C4' energy: -169.224
flat angles P-C4'-P energy: -122.577
tors. eta vs tors. theta energy: -237.864
Dist. restrs. and SS energy: 8.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -2580.452812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.452812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.337945 (E_RNA)
where:
Base-Base interactions energy: -1791.269
where: short stacking energy: -758.035
Base-Backbone interact. energy: -2.972
local terms energy: -790.096340
where:
bonds (distance) C4'-P energy: -138.667
bonds (distance) P-C4' energy: -145.874
flat angles C4'-P-C4' energy: -162.891
flat angles P-C4'-P energy: -106.170
tors. eta vs tors. theta energy: -236.494
Dist. restrs. and SS energy: 3.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -2472.267294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.267294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.222920 (E_RNA)
where:
Base-Base interactions energy: -1741.124
where: short stacking energy: -717.936
Base-Backbone interact. energy: 0.638
local terms energy: -741.736879
where:
bonds (distance) C4'-P energy: -137.819
bonds (distance) P-C4' energy: -137.136
flat angles C4'-P-C4' energy: -149.664
flat angles P-C4'-P energy: -111.833
tors. eta vs tors. theta energy: -205.285
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: 6, replica: 6
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -2354.144550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.144550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.960544 (E_RNA)
where:
Base-Base interactions energy: -1646.859
where: short stacking energy: -708.915
Base-Backbone interact. energy: -2.324
local terms energy: -710.777497
where:
bonds (distance) C4'-P energy: -119.526
bonds (distance) P-C4' energy: -131.261
flat angles C4'-P-C4' energy: -157.933
flat angles P-C4'-P energy: -99.495
tors. eta vs tors. theta energy: -202.562
Dist. restrs. and SS energy: 5.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -2226.979312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.979312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.578032 (E_RNA)
where:
Base-Base interactions energy: -1550.033
where: short stacking energy: -642.604
Base-Backbone interact. energy: -1.660
local terms energy: -688.884974
where:
bonds (distance) C4'-P energy: -127.958
bonds (distance) P-C4' energy: -105.246
flat angles C4'-P-C4' energy: -152.492
flat angles P-C4'-P energy: -114.993
tors. eta vs tors. theta energy: -188.197
Dist. restrs. and SS energy: 13.599 (S_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: 244
Temperature: 1.250000
Total energy: -2258.245743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.245743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.603742 (E_RNA)
where:
Base-Base interactions energy: -1610.912
where: short stacking energy: -667.840
Base-Backbone interact. energy: 3.390
local terms energy: -656.081381
where:
bonds (distance) C4'-P energy: -104.968
bonds (distance) P-C4' energy: -122.079
flat angles C4'-P-C4' energy: -141.788
flat angles P-C4'-P energy: -91.118
tors. eta vs tors. theta energy: -196.129
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: 9, replica: 7
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -1956.961478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.961478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.529221 (E_RNA)
where:
Base-Base interactions energy: -1369.429
where: short stacking energy: -596.656
Base-Backbone interact. energy: -7.590
local terms energy: -613.510112
where:
bonds (distance) C4'-P energy: -131.019
bonds (distance) P-C4' energy: -114.362
flat angles C4'-P-C4' energy: -128.448
flat angles P-C4'-P energy: -71.632
tors. eta vs tors. theta energy: -168.050
Dist. restrs. and SS energy: 33.568 (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: 4
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -1984.102982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.102982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.065314 (E_RNA)
where:
Base-Base interactions energy: -1424.659
where: short stacking energy: -599.540
Base-Backbone interact. energy: 1.909
local terms energy: -580.315216
where:
bonds (distance) C4'-P energy: -99.303
bonds (distance) P-C4' energy: -105.923
flat angles C4'-P-C4' energy: -138.255
flat angles P-C4'-P energy: -77.236
tors. eta vs tors. theta energy: -159.597
Dist. restrs. and SS energy: 18.962 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -2727.980155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.980155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.309330 (E_RNA)
where:
Base-Base interactions energy: -1913.663
where: short stacking energy: -790.242
Base-Backbone interact. energy: 3.338
local terms energy: -819.983925
where:
bonds (distance) C4'-P energy: -137.812
bonds (distance) P-C4' energy: -160.981
flat angles C4'-P-C4' energy: -158.911
flat angles P-C4'-P energy: -121.909
tors. eta vs tors. theta energy: -240.370
Dist. restrs. and SS energy: 2.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -2737.114226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.114226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.447528 (E_RNA)
where:
Base-Base interactions energy: -1916.008
where: short stacking energy: -814.145
Base-Backbone interact. energy: -5.401
local terms energy: -822.038987
where:
bonds (distance) C4'-P energy: -143.282
bonds (distance) P-C4' energy: -153.408
flat angles C4'-P-C4' energy: -162.243
flat angles P-C4'-P energy: -112.275
tors. eta vs tors. theta energy: -250.831
Dist. restrs. and SS energy: 6.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -2657.383108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.383108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.007315 (E_RNA)
where:
Base-Base interactions energy: -1878.886
where: short stacking energy: -802.454
Base-Backbone interact. energy: -3.653
local terms energy: -778.468622
where:
bonds (distance) C4'-P energy: -114.149
bonds (distance) P-C4' energy: -127.597
flat angles C4'-P-C4' energy: -172.695
flat angles P-C4'-P energy: -119.974
tors. eta vs tors. theta energy: -244.054
Dist. restrs. and SS energy: 3.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -2535.163221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.163221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.643912 (E_RNA)
where:
Base-Base interactions energy: -1758.929
where: short stacking energy: -754.179
Base-Backbone interact. energy: -0.038
local terms energy: -780.676774
where:
bonds (distance) C4'-P energy: -132.791
bonds (distance) P-C4' energy: -138.607
flat angles C4'-P-C4' energy: -164.659
flat angles P-C4'-P energy: -119.440
tors. eta vs tors. theta energy: -225.180
Dist. restrs. and SS energy: 4.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -2497.708096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.708096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.443053 (E_RNA)
where:
Base-Base interactions energy: -1780.346
where: short stacking energy: -749.072
Base-Backbone interact. energy: 0.216
local terms energy: -726.312914
where:
bonds (distance) C4'-P energy: -138.009
bonds (distance) P-C4' energy: -103.816
flat angles C4'-P-C4' energy: -159.793
flat angles P-C4'-P energy: -99.861
tors. eta vs tors. theta energy: -224.834
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: 6, replica: 6
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -2381.444347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.444347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.229896 (E_RNA)
where:
Base-Base interactions energy: -1669.480
where: short stacking energy: -708.051
Base-Backbone interact. energy: -2.554
local terms energy: -713.195979
where:
bonds (distance) C4'-P energy: -113.678
bonds (distance) P-C4' energy: -135.542
flat angles C4'-P-C4' energy: -145.978
flat angles P-C4'-P energy: -104.045
tors. eta vs tors. theta energy: -213.955
Dist. restrs. and SS energy: 3.786 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -2218.041561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.041561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.135019 (E_RNA)
where:
Base-Base interactions energy: -1553.459
where: short stacking energy: -642.515
Base-Backbone interact. energy: -0.842
local terms energy: -675.834585
where:
bonds (distance) C4'-P energy: -109.378
bonds (distance) P-C4' energy: -146.967
flat angles C4'-P-C4' energy: -141.003
flat angles P-C4'-P energy: -93.514
tors. eta vs tors. theta energy: -184.972
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: 8, replica: 9
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -2257.855641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.855641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.357783 (E_RNA)
where:
Base-Base interactions energy: -1586.650
where: short stacking energy: -647.708
Base-Backbone interact. energy: -1.529
local terms energy: -678.178603
where:
bonds (distance) C4'-P energy: -112.963
bonds (distance) P-C4' energy: -122.397
flat angles C4'-P-C4' energy: -153.819
flat angles P-C4'-P energy: -97.069
tors. eta vs tors. theta energy: -191.930
Dist. restrs. and SS energy: 8.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -2009.599766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.599766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.815603 (E_RNA)
where:
Base-Base interactions energy: -1416.132
where: short stacking energy: -583.651
Base-Backbone interact. energy: -2.729
local terms energy: -607.954424
where:
bonds (distance) C4'-P energy: -110.176
bonds (distance) P-C4' energy: -111.508
flat angles C4'-P-C4' energy: -139.620
flat angles P-C4'-P energy: -84.700
tors. eta vs tors. theta energy: -161.950
Dist. restrs. and SS energy: 17.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -2047.911491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.911491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.009363 (E_RNA)
where:
Base-Base interactions energy: -1456.291
where: short stacking energy: -594.587
Base-Backbone interact. energy: -4.121
local terms energy: -604.597738
where:
bonds (distance) C4'-P energy: -107.721
bonds (distance) P-C4' energy: -118.685
flat angles C4'-P-C4' energy: -129.794
flat angles P-C4'-P energy: -72.249
tors. eta vs tors. theta energy: -176.148
Dist. restrs. and SS energy: 17.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -2770.488999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.488999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2775.182230 (E_RNA)
where:
Base-Base interactions energy: -1957.771
where: short stacking energy: -830.225
Base-Backbone interact. energy: -4.367
local terms energy: -813.043996
where:
bonds (distance) C4'-P energy: -142.352
bonds (distance) P-C4' energy: -138.452
flat angles C4'-P-C4' energy: -170.797
flat angles P-C4'-P energy: -114.394
tors. eta vs tors. theta energy: -247.049
Dist. restrs. and SS energy: 4.693 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -2699.159948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.159948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.245781 (E_RNA)
where:
Base-Base interactions energy: -1902.063
where: short stacking energy: -801.080
Base-Backbone interact. energy: -2.914
local terms energy: -798.268691
where:
bonds (distance) C4'-P energy: -150.270
bonds (distance) P-C4' energy: -133.942
flat angles C4'-P-C4' energy: -166.791
flat angles P-C4'-P energy: -106.467
tors. eta vs tors. theta energy: -240.798
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: 10
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -2680.991369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.991369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.725736 (E_RNA)
where:
Base-Base interactions energy: -1893.377
where: short stacking energy: -798.404
Base-Backbone interact. energy: -3.742
local terms energy: -786.606515
where:
bonds (distance) C4'-P energy: -126.757
bonds (distance) P-C4' energy: -143.578
flat angles C4'-P-C4' energy: -164.694
flat angles P-C4'-P energy: -105.499
tors. eta vs tors. theta energy: -246.078
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: 4, replica: 2
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -2507.302522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.302522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.322951 (E_RNA)
where:
Base-Base interactions energy: -1769.480
where: short stacking energy: -729.154
Base-Backbone interact. energy: -4.712
local terms energy: -739.131068
where:
bonds (distance) C4'-P energy: -132.855
bonds (distance) P-C4' energy: -141.603
flat angles C4'-P-C4' energy: -156.309
flat angles P-C4'-P energy: -93.894
tors. eta vs tors. theta energy: -214.471
Dist. restrs. and SS energy: 6.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -2459.250304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.250304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.221106 (E_RNA)
where:
Base-Base interactions energy: -1704.392
where: short stacking energy: -735.654
Base-Backbone interact. energy: -3.392
local terms energy: -757.436919
where:
bonds (distance) C4'-P energy: -150.714
bonds (distance) P-C4' energy: -120.894
flat angles C4'-P-C4' energy: -151.743
flat angles P-C4'-P energy: -99.967
tors. eta vs tors. theta energy: -234.120
Dist. restrs. and SS energy: 5.971 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -2362.958309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.958309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.719515 (E_RNA)
where:
Base-Base interactions energy: -1661.683
where: short stacking energy: -686.478
Base-Backbone interact. energy: -3.535
local terms energy: -704.501359
where:
bonds (distance) C4'-P energy: -122.500
bonds (distance) P-C4' energy: -122.233
flat angles C4'-P-C4' energy: -156.296
flat angles P-C4'-P energy: -93.403
tors. eta vs tors. theta energy: -210.069
Dist. restrs. and SS energy: 6.761 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -2255.562856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.562856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.501676 (E_RNA)
where:
Base-Base interactions energy: -1593.267
where: short stacking energy: -643.759
Base-Backbone interact. energy: -3.356
local terms energy: -663.879100
where:
bonds (distance) C4'-P energy: -124.549
bonds (distance) P-C4' energy: -122.787
flat angles C4'-P-C4' energy: -125.534
flat angles P-C4'-P energy: -105.167
tors. eta vs tors. theta energy: -185.843
Dist. restrs. and SS energy: 4.939 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -2223.748553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.748553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.000592 (E_RNA)
where:
Base-Base interactions energy: -1597.536
where: short stacking energy: -677.955
Base-Backbone interact. energy: -2.062
local terms energy: -630.402541
where:
bonds (distance) C4'-P energy: -106.535
bonds (distance) P-C4' energy: -105.592
flat angles C4'-P-C4' energy: -133.648
flat angles P-C4'-P energy: -89.620
tors. eta vs tors. theta energy: -195.007
Dist. restrs. and SS energy: 6.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -2074.231978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.231978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.864240 (E_RNA)
where:
Base-Base interactions energy: -1465.379
where: short stacking energy: -597.525
Base-Backbone interact. energy: -2.067
local terms energy: -621.417729
where:
bonds (distance) C4'-P energy: -111.699
bonds (distance) P-C4' energy: -113.454
flat angles C4'-P-C4' energy: -133.883
flat angles P-C4'-P energy: -95.510
tors. eta vs tors. theta energy: -166.873
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: 10, replica: 7
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -1914.248233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.248233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.001084 (E_RNA)
where:
Base-Base interactions energy: -1360.832
where: short stacking energy: -581.009
Base-Backbone interact. energy: 1.864
local terms energy: -589.033111
where:
bonds (distance) C4'-P energy: -96.032
bonds (distance) P-C4' energy: -100.563
flat angles C4'-P-C4' energy: -147.979
flat angles P-C4'-P energy: -80.856
tors. eta vs tors. theta energy: -163.603
Dist. restrs. and SS energy: 33.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -2804.556861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2804.556861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.850562 (E_RNA)
where:
Base-Base interactions energy: -1981.116
where: short stacking energy: -813.909
Base-Backbone interact. energy: 1.647
local terms energy: -828.381856
where:
bonds (distance) C4'-P energy: -153.741
bonds (distance) P-C4' energy: -143.895
flat angles C4'-P-C4' energy: -167.963
flat angles P-C4'-P energy: -109.723
tors. eta vs tors. theta energy: -253.060
Dist. restrs. and SS energy: 3.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -2729.446926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.446926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.204055 (E_RNA)
where:
Base-Base interactions energy: -1917.657
where: short stacking energy: -830.212
Base-Backbone interact. energy: -3.691
local terms energy: -811.856962
where:
bonds (distance) C4'-P energy: -137.225
bonds (distance) P-C4' energy: -134.885
flat angles C4'-P-C4' energy: -169.350
flat angles P-C4'-P energy: -127.740
tors. eta vs tors. theta energy: -242.657
Dist. restrs. and SS energy: 3.757 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -2640.863101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.863101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.363986 (E_RNA)
where:
Base-Base interactions energy: -1862.236
where: short stacking energy: -783.888
Base-Backbone interact. energy: -3.092
local terms energy: -783.035993
where:
bonds (distance) C4'-P energy: -144.572
bonds (distance) P-C4' energy: -124.791
flat angles C4'-P-C4' energy: -167.849
flat angles P-C4'-P energy: -113.226
tors. eta vs tors. theta energy: -232.598
Dist. restrs. and SS energy: 7.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -2530.201948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.201948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.994989 (E_RNA)
where:
Base-Base interactions energy: -1801.309
where: short stacking energy: -742.119
Base-Backbone interact. energy: -0.435
local terms energy: -731.250499
where:
bonds (distance) C4'-P energy: -130.056
bonds (distance) P-C4' energy: -129.281
flat angles C4'-P-C4' energy: -157.219
flat angles P-C4'-P energy: -108.082
tors. eta vs tors. theta energy: -206.612
Dist. restrs. and SS energy: 2.793 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -2439.562059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.562059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.115954 (E_RNA)
where:
Base-Base interactions energy: -1716.920
where: short stacking energy: -742.339
Base-Backbone interact. energy: -2.761
local terms energy: -726.434906
where:
bonds (distance) C4'-P energy: -111.314
bonds (distance) P-C4' energy: -118.673
flat angles C4'-P-C4' energy: -154.107
flat angles P-C4'-P energy: -119.145
tors. eta vs tors. theta energy: -223.197
Dist. restrs. and SS energy: 6.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -2325.626999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.626999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.490335 (E_RNA)
where:
Base-Base interactions energy: -1656.522
where: short stacking energy: -693.731
Base-Backbone interact. energy: -1.191
local terms energy: -671.776769
where:
bonds (distance) C4'-P energy: -133.553
bonds (distance) P-C4' energy: -115.951
flat angles C4'-P-C4' energy: -132.764
flat angles P-C4'-P energy: -100.435
tors. eta vs tors. theta energy: -189.073
Dist. restrs. and SS energy: 3.863 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -2214.560394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.560394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.890942 (E_RNA)
where:
Base-Base interactions energy: -1579.998
where: short stacking energy: -649.404
Base-Backbone interact. energy: 2.382
local terms energy: -643.274720
where:
bonds (distance) C4'-P energy: -112.158
bonds (distance) P-C4' energy: -113.172
flat angles C4'-P-C4' energy: -141.798
flat angles P-C4'-P energy: -86.588
tors. eta vs tors. theta energy: -189.558
Dist. restrs. and SS energy: 6.331 (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: 9
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -2256.313559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.313559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.644440 (E_RNA)
where:
Base-Base interactions energy: -1582.553
where: short stacking energy: -652.700
Base-Backbone interact. energy: -3.211
local terms energy: -679.880498
where:
bonds (distance) C4'-P energy: -102.972
bonds (distance) P-C4' energy: -135.022
flat angles C4'-P-C4' energy: -144.948
flat angles P-C4'-P energy: -102.549
tors. eta vs tors. theta energy: -194.390
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: 9, replica: 4
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -2088.222046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.222046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.985190 (E_RNA)
where:
Base-Base interactions energy: -1471.195
where: short stacking energy: -625.159
Base-Backbone interact. energy: 1.791
local terms energy: -625.581030
where:
bonds (distance) C4'-P energy: -119.730
bonds (distance) P-C4' energy: -107.534
flat angles C4'-P-C4' energy: -132.413
flat angles P-C4'-P energy: -88.670
tors. eta vs tors. theta energy: -177.234
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: 10, replica: 7
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -1920.134688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.134688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.285918 (E_RNA)
where:
Base-Base interactions energy: -1349.473
where: short stacking energy: -561.599
Base-Backbone interact. energy: -4.059
local terms energy: -585.753407
where:
bonds (distance) C4'-P energy: -103.750
bonds (distance) P-C4' energy: -116.848
flat angles C4'-P-C4' energy: -132.001
flat angles P-C4'-P energy: -88.570
tors. eta vs tors. theta energy: -144.584
Dist. restrs. and SS energy: 19.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -2791.690109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.690109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.487446 (E_RNA)
where:
Base-Base interactions energy: -1946.655
where: short stacking energy: -828.319
Base-Backbone interact. energy: -1.332
local terms energy: -847.500023
where:
bonds (distance) C4'-P energy: -149.457
bonds (distance) P-C4' energy: -146.325
flat angles C4'-P-C4' energy: -176.977
flat angles P-C4'-P energy: -116.703
tors. eta vs tors. theta energy: -258.037
Dist. restrs. and SS energy: 3.797 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -2704.945763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.945763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.595678 (E_RNA)
where:
Base-Base interactions energy: -1880.794
where: short stacking energy: -788.658
Base-Backbone interact. energy: -3.108
local terms energy: -825.694131
where:
bonds (distance) C4'-P energy: -146.664
bonds (distance) P-C4' energy: -158.198
flat angles C4'-P-C4' energy: -162.464
flat angles P-C4'-P energy: -114.751
tors. eta vs tors. theta energy: -243.616
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: 248
Temperature: 1.000000
Total energy: -2659.701683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.701683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.759695 (E_RNA)
where:
Base-Base interactions energy: -1897.753
where: short stacking energy: -807.798
Base-Backbone interact. energy: 4.743
local terms energy: -770.749069
where:
bonds (distance) C4'-P energy: -135.349
bonds (distance) P-C4' energy: -129.926
flat angles C4'-P-C4' energy: -162.593
flat angles P-C4'-P energy: -106.775
tors. eta vs tors. theta energy: -236.106
Dist. restrs. and SS energy: 4.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -2602.379229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.379229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.771046 (E_RNA)
where:
Base-Base interactions energy: -1816.867
where: short stacking energy: -788.111
Base-Backbone interact. energy: -2.526
local terms energy: -786.378261
where:
bonds (distance) C4'-P energy: -128.617
bonds (distance) P-C4' energy: -146.818
flat angles C4'-P-C4' energy: -168.220
flat angles P-C4'-P energy: -110.547
tors. eta vs tors. theta energy: -232.176
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: 5, replica: 1
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -2436.435553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.435553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.039140 (E_RNA)
where:
Base-Base interactions energy: -1681.027
where: short stacking energy: -706.692
Base-Backbone interact. energy: -0.657
local terms energy: -761.355096
where:
bonds (distance) C4'-P energy: -143.230
bonds (distance) P-C4' energy: -140.497
flat angles C4'-P-C4' energy: -157.506
flat angles P-C4'-P energy: -106.698
tors. eta vs tors. theta energy: -213.424
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: 6, replica: 6
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -2350.982601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.982601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.691470 (E_RNA)
where:
Base-Base interactions energy: -1635.495
where: short stacking energy: -706.584
Base-Backbone interact. energy: -0.298
local terms energy: -719.898424
where:
bonds (distance) C4'-P energy: -126.667
bonds (distance) P-C4' energy: -119.410
flat angles C4'-P-C4' energy: -160.536
flat angles P-C4'-P energy: -98.320
tors. eta vs tors. theta energy: -214.966
Dist. restrs. and SS energy: 4.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -2309.023920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.023920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.341306 (E_RNA)
where:
Base-Base interactions energy: -1636.414
where: short stacking energy: -672.987
Base-Backbone interact. energy: -3.300
local terms energy: -677.627287
where:
bonds (distance) C4'-P energy: -98.931
bonds (distance) P-C4' energy: -119.526
flat angles C4'-P-C4' energy: -159.519
flat angles P-C4'-P energy: -103.763
tors. eta vs tors. theta energy: -195.889
Dist. restrs. and SS energy: 8.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -2205.696594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.696594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.975389 (E_RNA)
where:
Base-Base interactions energy: -1567.543
where: short stacking energy: -658.764
Base-Backbone interact. energy: -1.584
local terms energy: -643.848475
where:
bonds (distance) C4'-P energy: -121.455
bonds (distance) P-C4' energy: -105.050
flat angles C4'-P-C4' energy: -138.903
flat angles P-C4'-P energy: -83.390
tors. eta vs tors. theta energy: -195.051
Dist. restrs. and SS energy: 7.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -2054.515306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.515306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.728942 (E_RNA)
where:
Base-Base interactions energy: -1449.997
where: short stacking energy: -604.628
Base-Backbone interact. energy: -2.767
local terms energy: -607.965763
where:
bonds (distance) C4'-P energy: -116.585
bonds (distance) P-C4' energy: -115.691
flat angles C4'-P-C4' energy: -142.033
flat angles P-C4'-P energy: -64.934
tors. eta vs tors. theta energy: -168.723
Dist. restrs. and SS energy: 6.214 (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: 7
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -1903.476582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.476582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.453664 (E_RNA)
where:
Base-Base interactions energy: -1341.474
where: short stacking energy: -570.250
Base-Backbone interact. energy: 6.058
local terms energy: -602.037778
where:
bonds (distance) C4'-P energy: -127.645
bonds (distance) P-C4' energy: -105.615
flat angles C4'-P-C4' energy: -129.653
flat angles P-C4'-P energy: -67.120
tors. eta vs tors. theta energy: -172.004
Dist. restrs. and SS energy: 33.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -2819.690984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2819.690984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.828470 (E_RNA)
where:
Base-Base interactions energy: -1986.103
where: short stacking energy: -842.832
Base-Backbone interact. energy: -5.269
local terms energy: -834.456273
where:
bonds (distance) C4'-P energy: -140.734
bonds (distance) P-C4' energy: -148.844
flat angles C4'-P-C4' energy: -167.559
flat angles P-C4'-P energy: -122.514
tors. eta vs tors. theta energy: -254.805
Dist. restrs. and SS energy: 6.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -2713.472499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.472499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.524662 (E_RNA)
where:
Base-Base interactions energy: -1888.353
where: short stacking energy: -802.686
Base-Backbone interact. energy: -2.304
local terms energy: -826.867086
where:
bonds (distance) C4'-P energy: -135.482
bonds (distance) P-C4' energy: -142.030
flat angles C4'-P-C4' energy: -170.240
flat angles P-C4'-P energy: -136.399
tors. eta vs tors. theta energy: -242.715
Dist. restrs. and SS energy: 4.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -2646.777187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.777187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.301378 (E_RNA)
where:
Base-Base interactions energy: -1844.721
where: short stacking energy: -771.736
Base-Backbone interact. energy: -3.200
local terms energy: -802.380940
where:
bonds (distance) C4'-P energy: -133.598
bonds (distance) P-C4' energy: -139.311
flat angles C4'-P-C4' energy: -164.861
flat angles P-C4'-P energy: -123.231
tors. eta vs tors. theta energy: -241.380
Dist. restrs. and SS energy: 3.524 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -2577.712091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.712091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.968194 (E_RNA)
where:
Base-Base interactions energy: -1783.430
where: short stacking energy: -782.767
Base-Backbone interact. energy: -2.140
local terms energy: -795.398408
where:
bonds (distance) C4'-P energy: -149.171
bonds (distance) P-C4' energy: -138.549
flat angles C4'-P-C4' energy: -165.019
flat angles P-C4'-P energy: -110.578
tors. eta vs tors. theta energy: -232.081
Dist. restrs. and SS energy: 3.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -2428.061785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.061785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.747135 (E_RNA)
where:
Base-Base interactions energy: -1691.262
where: short stacking energy: -703.479
Base-Backbone interact. energy: -3.687
local terms energy: -738.798134
where:
bonds (distance) C4'-P energy: -134.189
bonds (distance) P-C4' energy: -130.192
flat angles C4'-P-C4' energy: -155.819
flat angles P-C4'-P energy: -104.584
tors. eta vs tors. theta energy: -214.014
Dist. restrs. and SS energy: 5.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -2371.537057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.537057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.221673 (E_RNA)
where:
Base-Base interactions energy: -1672.098
where: short stacking energy: -687.748
Base-Backbone interact. energy: -4.019
local terms energy: -701.104319
where:
bonds (distance) C4'-P energy: -120.177
bonds (distance) P-C4' energy: -127.698
flat angles C4'-P-C4' energy: -159.649
flat angles P-C4'-P energy: -99.242
tors. eta vs tors. theta energy: -194.338
Dist. restrs. and SS energy: 5.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -2301.655902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.655902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.888519 (E_RNA)
where:
Base-Base interactions energy: -1599.240
where: short stacking energy: -666.714
Base-Backbone interact. energy: -2.603
local terms energy: -705.045567
where:
bonds (distance) C4'-P energy: -117.714
bonds (distance) P-C4' energy: -124.084
flat angles C4'-P-C4' energy: -154.860
flat angles P-C4'-P energy: -101.760
tors. eta vs tors. theta energy: -206.628
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: 8, replica: 5
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -2180.965603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.965603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.113247 (E_RNA)
where:
Base-Base interactions energy: -1502.316
where: short stacking energy: -630.596
Base-Backbone interact. energy: 3.102
local terms energy: -698.899310
where:
bonds (distance) C4'-P energy: -135.869
bonds (distance) P-C4' energy: -133.331
flat angles C4'-P-C4' energy: -136.560
flat angles P-C4'-P energy: -101.407
tors. eta vs tors. theta energy: -191.732
Dist. restrs. and SS energy: 17.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -2036.190900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.190900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.143584 (E_RNA)
where:
Base-Base interactions energy: -1437.332
where: short stacking energy: -592.600
Base-Backbone interact. energy: 1.103
local terms energy: -612.915297
where:
bonds (distance) C4'-P energy: -107.813
bonds (distance) P-C4' energy: -126.401
flat angles C4'-P-C4' energy: -121.239
flat angles P-C4'-P energy: -90.395
tors. eta vs tors. theta energy: -167.067
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: 10, replica: 7
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -1901.095361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.095361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.912865 (E_RNA)
where:
Base-Base interactions energy: -1380.376
where: short stacking energy: -561.519
Base-Backbone interact. energy: -1.416
local terms energy: -550.121028
where:
bonds (distance) C4'-P energy: -109.234
bonds (distance) P-C4' energy: -100.530
flat angles C4'-P-C4' energy: -117.451
flat angles P-C4'-P energy: -66.880
tors. eta vs tors. theta energy: -156.027
Dist. restrs. and SS energy: 30.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -2822.863189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.863189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.885634 (E_RNA)
where:
Base-Base interactions energy: -1984.590
where: short stacking energy: -839.375
Base-Backbone interact. energy: -2.840
local terms energy: -838.455964
where:
bonds (distance) C4'-P energy: -142.746
bonds (distance) P-C4' energy: -149.209
flat angles C4'-P-C4' energy: -176.194
flat angles P-C4'-P energy: -118.468
tors. eta vs tors. theta energy: -251.839
Dist. restrs. and SS energy: 3.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -2668.188358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.188358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.355079 (E_RNA)
where:
Base-Base interactions energy: -1859.764
where: short stacking energy: -795.558
Base-Backbone interact. energy: -3.030
local terms energy: -810.561270
where:
bonds (distance) C4'-P energy: -147.103
bonds (distance) P-C4' energy: -149.619
flat angles C4'-P-C4' energy: -164.379
flat angles P-C4'-P energy: -116.300
tors. eta vs tors. theta energy: -233.161
Dist. restrs. and SS energy: 5.167 (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: 250
Temperature: 1.000000
Total energy: -2680.296760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.296760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.959797 (E_RNA)
where:
Base-Base interactions energy: -1860.927
where: short stacking energy: -793.789
Base-Backbone interact. energy: -4.694
local terms energy: -818.339062
where:
bonds (distance) C4'-P energy: -143.650
bonds (distance) P-C4' energy: -151.497
flat angles C4'-P-C4' energy: -166.422
flat angles P-C4'-P energy: -114.993
tors. eta vs tors. theta energy: -241.777
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: 2
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -2573.114995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.114995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.417772 (E_RNA)
where:
Base-Base interactions energy: -1812.741
where: short stacking energy: -782.897
Base-Backbone interact. energy: -2.356
local terms energy: -760.320777
where:
bonds (distance) C4'-P energy: -130.751
bonds (distance) P-C4' energy: -135.883
flat angles C4'-P-C4' energy: -161.869
flat angles P-C4'-P energy: -99.373
tors. eta vs tors. theta energy: -232.445
Dist. restrs. and SS energy: 2.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -2469.932365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.932365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.368914 (E_RNA)
where:
Base-Base interactions energy: -1721.647
where: short stacking energy: -712.430
Base-Backbone interact. energy: -1.951
local terms energy: -753.770448
where:
bonds (distance) C4'-P energy: -134.530
bonds (distance) P-C4' energy: -145.981
flat angles C4'-P-C4' energy: -160.121
flat angles P-C4'-P energy: -97.350
tors. eta vs tors. theta energy: -215.789
Dist. restrs. and SS energy: 7.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -2376.513314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.513314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.026515 (E_RNA)
where:
Base-Base interactions energy: -1656.624
where: short stacking energy: -693.260
Base-Backbone interact. energy: -1.941
local terms energy: -722.461369
where:
bonds (distance) C4'-P energy: -128.049
bonds (distance) P-C4' energy: -135.560
flat angles C4'-P-C4' energy: -141.681
flat angles P-C4'-P energy: -104.656
tors. eta vs tors. theta energy: -212.515
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: 7, replica: 6
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -2275.038400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.038400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.927590 (E_RNA)
where:
Base-Base interactions energy: -1613.380
where: short stacking energy: -664.552
Base-Backbone interact. energy: -0.972
local terms energy: -667.574806
where:
bonds (distance) C4'-P energy: -93.605
bonds (distance) P-C4' energy: -131.966
flat angles C4'-P-C4' energy: -146.209
flat angles P-C4'-P energy: -102.076
tors. eta vs tors. theta energy: -193.719
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: 8, replica: 5
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -2129.302987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.302987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.925665 (E_RNA)
where:
Base-Base interactions energy: -1530.291
where: short stacking energy: -619.248
Base-Backbone interact. energy: 1.039
local terms energy: -617.673363
where:
bonds (distance) C4'-P energy: -131.873
bonds (distance) P-C4' energy: -104.898
flat angles C4'-P-C4' energy: -126.759
flat angles P-C4'-P energy: -83.195
tors. eta vs tors. theta energy: -170.949
Dist. restrs. and SS energy: 17.623 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -2068.853155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.853155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.128042 (E_RNA)
where:
Base-Base interactions energy: -1481.344
where: short stacking energy: -593.062
Base-Backbone interact. energy: 0.032
local terms energy: -598.815938
where:
bonds (distance) C4'-P energy: -124.108
bonds (distance) P-C4' energy: -118.068
flat angles C4'-P-C4' energy: -123.186
flat angles P-C4'-P energy: -66.232
tors. eta vs tors. theta energy: -167.223
Dist. restrs. and SS energy: 11.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -1875.268715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.268715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.409825 (E_RNA)
where:
Base-Base interactions energy: -1339.012
where: short stacking energy: -534.359
Base-Backbone interact. energy: 0.411
local terms energy: -568.808457
where:
bonds (distance) C4'-P energy: -107.252
bonds (distance) P-C4' energy: -121.624
flat angles C4'-P-C4' energy: -124.264
flat angles P-C4'-P energy: -72.522
tors. eta vs tors. theta energy: -143.146
Dist. restrs. and SS energy: 32.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -2807.915175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.915175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.664150 (E_RNA)
where:
Base-Base interactions energy: -1968.119
where: short stacking energy: -831.249
Base-Backbone interact. energy: -4.585
local terms energy: -837.960238
where:
bonds (distance) C4'-P energy: -143.457
bonds (distance) P-C4' energy: -143.241
flat angles C4'-P-C4' energy: -177.718
flat angles P-C4'-P energy: -119.716
tors. eta vs tors. theta energy: -253.828
Dist. restrs. and SS energy: 2.749 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -2717.631112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.631112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.808711 (E_RNA)
where:
Base-Base interactions energy: -1907.789
where: short stacking energy: -809.220
Base-Backbone interact. energy: -4.391
local terms energy: -809.628976
where:
bonds (distance) C4'-P energy: -137.919
bonds (distance) P-C4' energy: -140.351
flat angles C4'-P-C4' energy: -166.668
flat angles P-C4'-P energy: -124.233
tors. eta vs tors. theta energy: -240.457
Dist. restrs. and SS energy: 4.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -2631.121772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.121772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.937846 (E_RNA)
where:
Base-Base interactions energy: -1861.847
where: short stacking energy: -765.441
Base-Backbone interact. energy: 0.456
local terms energy: -774.546375
where:
bonds (distance) C4'-P energy: -123.434
bonds (distance) P-C4' energy: -141.707
flat angles C4'-P-C4' energy: -159.317
flat angles P-C4'-P energy: -116.900
tors. eta vs tors. theta energy: -233.188
Dist. restrs. and SS energy: 4.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -2486.492767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.492767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.768738 (E_RNA)
where:
Base-Base interactions energy: -1711.825
where: short stacking energy: -708.965
Base-Backbone interact. energy: -1.428
local terms energy: -781.515711
where:
bonds (distance) C4'-P energy: -154.088
bonds (distance) P-C4' energy: -149.100
flat angles C4'-P-C4' energy: -153.223
flat angles P-C4'-P energy: -111.322
tors. eta vs tors. theta energy: -213.784
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: 5, replica: 2
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -2510.501165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.501165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.529853 (E_RNA)
where:
Base-Base interactions energy: -1777.203
where: short stacking energy: -742.054
Base-Backbone interact. energy: -2.571
local terms energy: -733.756247
where:
bonds (distance) C4'-P energy: -127.366
bonds (distance) P-C4' energy: -114.380
flat angles C4'-P-C4' energy: -166.711
flat angles P-C4'-P energy: -106.669
tors. eta vs tors. theta energy: -218.630
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: 6, replica: 9
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -2368.057903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.057903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.119415 (E_RNA)
where:
Base-Base interactions energy: -1682.457
where: short stacking energy: -676.231
Base-Backbone interact. energy: -6.335
local terms energy: -688.327640
where:
bonds (distance) C4'-P energy: -112.005
bonds (distance) P-C4' energy: -120.283
flat angles C4'-P-C4' energy: -133.401
flat angles P-C4'-P energy: -115.007
tors. eta vs tors. theta energy: -207.632
Dist. restrs. and SS energy: 9.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -2302.366464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.366464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.097853 (E_RNA)
where:
Base-Base interactions energy: -1649.272
where: short stacking energy: -652.000
Base-Backbone interact. energy: -0.724
local terms energy: -658.102370
where:
bonds (distance) C4'-P energy: -127.004
bonds (distance) P-C4' energy: -94.057
flat angles C4'-P-C4' energy: -139.410
flat angles P-C4'-P energy: -100.038
tors. eta vs tors. theta energy: -197.594
Dist. restrs. and SS energy: 5.731 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -2148.305410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.305410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.508537 (E_RNA)
where:
Base-Base interactions energy: -1520.495
where: short stacking energy: -635.487
Base-Backbone interact. energy: 0.170
local terms energy: -644.183564
where:
bonds (distance) C4'-P energy: -99.163
bonds (distance) P-C4' energy: -134.187
flat angles C4'-P-C4' energy: -129.572
flat angles P-C4'-P energy: -85.946
tors. eta vs tors. theta energy: -195.316
Dist. restrs. and SS energy: 16.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -2035.146033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.146033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.574176 (E_RNA)
where:
Base-Base interactions energy: -1440.631
where: short stacking energy: -585.077
Base-Backbone interact. energy: 2.074
local terms energy: -610.017227
where:
bonds (distance) C4'-P energy: -104.264
bonds (distance) P-C4' energy: -120.988
flat angles C4'-P-C4' energy: -138.916
flat angles P-C4'-P energy: -78.523
tors. eta vs tors. theta energy: -167.326
Dist. restrs. and SS energy: 13.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -1955.621093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.621093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.214735 (E_RNA)
where:
Base-Base interactions energy: -1378.739
where: short stacking energy: -567.683
Base-Backbone interact. energy: 3.071
local terms energy: -598.547356
where:
bonds (distance) C4'-P energy: -118.657
bonds (distance) P-C4' energy: -108.537
flat angles C4'-P-C4' energy: -142.264
flat angles P-C4'-P energy: -71.287
tors. eta vs tors. theta energy: -157.802
Dist. restrs. and SS energy: 18.594 (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: 3
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -2805.672351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.672351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.374232 (E_RNA)
where:
Base-Base interactions energy: -1968.221
where: short stacking energy: -819.876
Base-Backbone interact. energy: 2.138
local terms energy: -842.291078
where:
bonds (distance) C4'-P energy: -143.592
bonds (distance) P-C4' energy: -146.820
flat angles C4'-P-C4' energy: -182.677
flat angles P-C4'-P energy: -121.601
tors. eta vs tors. theta energy: -247.601
Dist. restrs. and SS energy: 2.702 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -2714.768659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.768659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.207790 (E_RNA)
where:
Base-Base interactions energy: -1908.102
where: short stacking energy: -828.203
Base-Backbone interact. energy: -4.458
local terms energy: -806.648040
where:
bonds (distance) C4'-P energy: -133.271
bonds (distance) P-C4' energy: -145.241
flat angles C4'-P-C4' energy: -165.586
flat angles P-C4'-P energy: -111.360
tors. eta vs tors. theta energy: -251.190
Dist. restrs. and SS energy: 4.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -2619.444749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.444749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.462693 (E_RNA)
where:
Base-Base interactions energy: -1863.739
where: short stacking energy: -773.125
Base-Backbone interact. energy: 0.751
local terms energy: -759.474881
where:
bonds (distance) C4'-P energy: -125.558
bonds (distance) P-C4' energy: -144.069
flat angles C4'-P-C4' energy: -155.223
flat angles P-C4'-P energy: -108.957
tors. eta vs tors. theta energy: -225.668
Dist. restrs. and SS energy: 3.018 (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: 1
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -2481.352126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.352126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.710380 (E_RNA)
where:
Base-Base interactions energy: -1724.388
where: short stacking energy: -759.877
Base-Backbone interact. energy: 1.820
local terms energy: -767.142142
where:
bonds (distance) C4'-P energy: -122.737
bonds (distance) P-C4' energy: -140.238
flat angles C4'-P-C4' energy: -167.216
flat angles P-C4'-P energy: -114.712
tors. eta vs tors. theta energy: -222.239
Dist. restrs. and SS energy: 8.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -2447.543706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.543706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.174877 (E_RNA)
where:
Base-Base interactions energy: -1722.857
where: short stacking energy: -732.043
Base-Backbone interact. energy: 1.190
local terms energy: -731.508240
where:
bonds (distance) C4'-P energy: -131.323
bonds (distance) P-C4' energy: -142.056
flat angles C4'-P-C4' energy: -148.923
flat angles P-C4'-P energy: -101.361
tors. eta vs tors. theta energy: -207.845
Dist. restrs. and SS energy: 5.631 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -2356.174135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.174135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.314386 (E_RNA)
where:
Base-Base interactions energy: -1657.462
where: short stacking energy: -676.844
Base-Backbone interact. energy: -0.937
local terms energy: -707.914739
where:
bonds (distance) C4'-P energy: -119.527
bonds (distance) P-C4' energy: -136.682
flat angles C4'-P-C4' energy: -142.311
flat angles P-C4'-P energy: -109.940
tors. eta vs tors. theta energy: -199.455
Dist. restrs. and SS energy: 10.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -2324.575682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.575682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.865171 (E_RNA)
where:
Base-Base interactions energy: -1655.721
where: short stacking energy: -703.838
Base-Backbone interact. energy: -1.562
local terms energy: -675.582550
where:
bonds (distance) C4'-P energy: -118.023
bonds (distance) P-C4' energy: -105.126
flat angles C4'-P-C4' energy: -154.183
flat angles P-C4'-P energy: -89.276
tors. eta vs tors. theta energy: -208.974
Dist. restrs. and SS energy: 8.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -2186.667706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.667706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.623021 (E_RNA)
where:
Base-Base interactions energy: -1521.508
where: short stacking energy: -629.008
Base-Backbone interact. energy: -1.872
local terms energy: -670.243469
where:
bonds (distance) C4'-P energy: -105.138
bonds (distance) P-C4' energy: -125.138
flat angles C4'-P-C4' energy: -144.263
flat angles P-C4'-P energy: -103.226
tors. eta vs tors. theta energy: -192.479
Dist. restrs. and SS energy: 6.955 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -2046.170376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.170376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.411302 (E_RNA)
where:
Base-Base interactions energy: -1442.394
where: short stacking energy: -590.589
Base-Backbone interact. energy: -0.849
local terms energy: -620.167933
where:
bonds (distance) C4'-P energy: -111.076
bonds (distance) P-C4' energy: -112.240
flat angles C4'-P-C4' energy: -142.331
flat angles P-C4'-P energy: -93.121
tors. eta vs tors. theta energy: -161.400
Dist. restrs. and SS energy: 17.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -1925.585685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.585685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.074652 (E_RNA)
where:
Base-Base interactions energy: -1341.880
where: short stacking energy: -545.263
Base-Backbone interact. energy: 0.494
local terms energy: -604.689000
where:
bonds (distance) C4'-P energy: -109.843
bonds (distance) P-C4' energy: -115.132
flat angles C4'-P-C4' energy: -130.526
flat angles P-C4'-P energy: -83.194
tors. eta vs tors. theta energy: -165.995
Dist. restrs. and SS energy: 20.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -2799.562452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.562452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.331212 (E_RNA)
where:
Base-Base interactions energy: -1962.693
where: short stacking energy: -811.806
Base-Backbone interact. energy: -0.887
local terms energy: -838.751251
where:
bonds (distance) C4'-P energy: -148.894
bonds (distance) P-C4' energy: -148.678
flat angles C4'-P-C4' energy: -169.782
flat angles P-C4'-P energy: -121.842
tors. eta vs tors. theta energy: -249.555
Dist. restrs. and SS energy: 2.769 (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: 10
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -2724.029588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.029588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.400945 (E_RNA)
where:
Base-Base interactions energy: -1897.037
where: short stacking energy: -826.905
Base-Backbone interact. energy: 0.918
local terms energy: -832.281914
where:
bonds (distance) C4'-P energy: -151.778
bonds (distance) P-C4' energy: -133.253
flat angles C4'-P-C4' energy: -176.177
flat angles P-C4'-P energy: -119.437
tors. eta vs tors. theta energy: -251.637
Dist. restrs. and SS energy: 4.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -2642.241007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.241007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.865197 (E_RNA)
where:
Base-Base interactions energy: -1831.347
where: short stacking energy: -793.669
Base-Backbone interact. energy: -3.392
local terms energy: -810.126706
where:
bonds (distance) C4'-P energy: -127.176
bonds (distance) P-C4' energy: -149.111
flat angles C4'-P-C4' energy: -179.299
flat angles P-C4'-P energy: -113.558
tors. eta vs tors. theta energy: -240.983
Dist. restrs. and SS energy: 2.624 (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: 1
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -2466.102311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.102311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.381173 (E_RNA)
where:
Base-Base interactions energy: -1726.869
where: short stacking energy: -720.476
Base-Backbone interact. energy: -3.321
local terms energy: -742.190814
where:
bonds (distance) C4'-P energy: -135.260
bonds (distance) P-C4' energy: -139.110
flat angles C4'-P-C4' energy: -156.131
flat angles P-C4'-P energy: -93.309
tors. eta vs tors. theta energy: -218.380
Dist. restrs. and SS energy: 6.279 (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: 253
Temperature: 1.100000
Total energy: -2413.578351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.578351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.854113 (E_RNA)
where:
Base-Base interactions energy: -1726.357
where: short stacking energy: -732.635
Base-Backbone interact. energy: 2.137
local terms energy: -699.633576
where:
bonds (distance) C4'-P energy: -121.384
bonds (distance) P-C4' energy: -125.932
flat angles C4'-P-C4' energy: -144.085
flat angles P-C4'-P energy: -99.146
tors. eta vs tors. theta energy: -209.087
Dist. restrs. and SS energy: 10.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -2321.875199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.875199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.735805 (E_RNA)
where:
Base-Base interactions energy: -1643.300
where: short stacking energy: -701.023
Base-Backbone interact. energy: -3.880
local terms energy: -684.556662
where:
bonds (distance) C4'-P energy: -126.510
bonds (distance) P-C4' energy: -133.731
flat angles C4'-P-C4' energy: -134.049
flat angles P-C4'-P energy: -96.563
tors. eta vs tors. theta energy: -193.704
Dist. restrs. and SS energy: 9.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -2320.973881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.973881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.983626 (E_RNA)
where:
Base-Base interactions energy: -1651.234
where: short stacking energy: -666.792
Base-Backbone interact. energy: 3.821
local terms energy: -676.570120
where:
bonds (distance) C4'-P energy: -96.812
bonds (distance) P-C4' energy: -123.392
flat angles C4'-P-C4' energy: -142.247
flat angles P-C4'-P energy: -100.705
tors. eta vs tors. theta energy: -213.414
Dist. restrs. and SS energy: 3.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -2148.318588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.318588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.870332 (E_RNA)
where:
Base-Base interactions energy: -1523.602
where: short stacking energy: -630.858
Base-Backbone interact. energy: -0.981
local terms energy: -638.287220
where:
bonds (distance) C4'-P energy: -122.118
bonds (distance) P-C4' energy: -95.097
flat angles C4'-P-C4' energy: -137.358
flat angles P-C4'-P energy: -98.362
tors. eta vs tors. theta energy: -185.352
Dist. restrs. and SS energy: 14.552 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -2055.260227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.260227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.423061 (E_RNA)
where:
Base-Base interactions energy: -1456.535
where: short stacking energy: -581.997
Base-Backbone interact. energy: -1.389
local terms energy: -607.498841
where:
bonds (distance) C4'-P energy: -130.058
bonds (distance) P-C4' energy: -113.875
flat angles C4'-P-C4' energy: -126.124
flat angles P-C4'-P energy: -74.016
tors. eta vs tors. theta energy: -163.425
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: 10, replica: 7
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -1922.146402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.146402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.711932 (E_RNA)
where:
Base-Base interactions energy: -1348.471
where: short stacking energy: -577.503
Base-Backbone interact. energy: -1.825
local terms energy: -602.416469
where:
bonds (distance) C4'-P energy: -101.417
bonds (distance) P-C4' energy: -126.434
flat angles C4'-P-C4' energy: -139.283
flat angles P-C4'-P energy: -77.605
tors. eta vs tors. theta energy: -157.677
Dist. restrs. and SS energy: 30.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -2818.559091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.559091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2822.261766 (E_RNA)
where:
Base-Base interactions energy: -1962.987
where: short stacking energy: -835.676
Base-Backbone interact. energy: -1.712
local terms energy: -857.563059
where:
bonds (distance) C4'-P energy: -145.869
bonds (distance) P-C4' energy: -155.159
flat angles C4'-P-C4' energy: -184.057
flat angles P-C4'-P energy: -118.302
tors. eta vs tors. theta energy: -254.176
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: 10
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -2715.427569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.427569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.021290 (E_RNA)
where:
Base-Base interactions energy: -1904.347
where: short stacking energy: -814.929
Base-Backbone interact. energy: -1.053
local terms energy: -813.621864
where:
bonds (distance) C4'-P energy: -134.110
bonds (distance) P-C4' energy: -149.747
flat angles C4'-P-C4' energy: -172.997
flat angles P-C4'-P energy: -112.546
tors. eta vs tors. theta energy: -244.221
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: 3, replica: 8
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -2632.683521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.683521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.259674 (E_RNA)
where:
Base-Base interactions energy: -1874.359
where: short stacking energy: -791.424
Base-Backbone interact. energy: 0.213
local terms energy: -762.114007
where:
bonds (distance) C4'-P energy: -114.161
bonds (distance) P-C4' energy: -141.375
flat angles C4'-P-C4' energy: -175.565
flat angles P-C4'-P energy: -111.138
tors. eta vs tors. theta energy: -219.875
Dist. restrs. and SS energy: 3.576 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -2470.276156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.276156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.028939 (E_RNA)
where:
Base-Base interactions energy: -1733.471
where: short stacking energy: -720.774
Base-Backbone interact. energy: -3.294
local terms energy: -740.263620
where:
bonds (distance) C4'-P energy: -139.134
bonds (distance) P-C4' energy: -127.488
flat angles C4'-P-C4' energy: -158.670
flat angles P-C4'-P energy: -104.987
tors. eta vs tors. theta energy: -209.985
Dist. restrs. and SS energy: 6.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -2432.071303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.071303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.512795 (E_RNA)
where:
Base-Base interactions energy: -1696.996
where: short stacking energy: -715.593
Base-Backbone interact. energy: -1.871
local terms energy: -739.645863
where:
bonds (distance) C4'-P energy: -139.739
bonds (distance) P-C4' energy: -153.295
flat angles C4'-P-C4' energy: -132.734
flat angles P-C4'-P energy: -100.544
tors. eta vs tors. theta energy: -213.334
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: 6, replica: 6
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -2333.702848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.702848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.243016 (E_RNA)
where:
Base-Base interactions energy: -1648.665
where: short stacking energy: -705.032
Base-Backbone interact. energy: -1.817
local terms energy: -694.761092
where:
bonds (distance) C4'-P energy: -123.894
bonds (distance) P-C4' energy: -132.545
flat angles C4'-P-C4' energy: -153.627
flat angles P-C4'-P energy: -94.595
tors. eta vs tors. theta energy: -190.101
Dist. restrs. and SS energy: 11.540 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -2363.576896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.576896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.741165 (E_RNA)
where:
Base-Base interactions energy: -1675.210
where: short stacking energy: -706.275
Base-Backbone interact. energy: -4.345
local terms energy: -690.186413
where:
bonds (distance) C4'-P energy: -101.895
bonds (distance) P-C4' energy: -134.661
flat angles C4'-P-C4' energy: -152.611
flat angles P-C4'-P energy: -93.715
tors. eta vs tors. theta energy: -207.304
Dist. restrs. and SS energy: 6.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -2177.672353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.672353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.524522 (E_RNA)
where:
Base-Base interactions energy: -1521.690
where: short stacking energy: -637.484
Base-Backbone interact. energy: -4.756
local terms energy: -659.078110
where:
bonds (distance) C4'-P energy: -120.796
bonds (distance) P-C4' energy: -120.141
flat angles C4'-P-C4' energy: -135.131
flat angles P-C4'-P energy: -92.949
tors. eta vs tors. theta energy: -190.062
Dist. restrs. and SS energy: 7.852 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -2046.532657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.532657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.527183 (E_RNA)
where:
Base-Base interactions energy: -1450.280
where: short stacking energy: -616.842
Base-Backbone interact. energy: 0.185
local terms energy: -604.432761
where:
bonds (distance) C4'-P energy: -108.546
bonds (distance) P-C4' energy: -118.762
flat angles C4'-P-C4' energy: -122.426
flat angles P-C4'-P energy: -88.082
tors. eta vs tors. theta energy: -166.617
Dist. restrs. and SS energy: 7.995 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -1963.335018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.335018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.661134 (E_RNA)
where:
Base-Base interactions energy: -1382.560
where: short stacking energy: -556.796
Base-Backbone interact. energy: -0.191
local terms energy: -601.909949
where:
bonds (distance) C4'-P energy: -106.366
bonds (distance) P-C4' energy: -129.901
flat angles C4'-P-C4' energy: -117.191
flat angles P-C4'-P energy: -86.861
tors. eta vs tors. theta energy: -161.591
Dist. restrs. and SS energy: 21.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -2817.315294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.315294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2822.435943 (E_RNA)
where:
Base-Base interactions energy: -1986.077
where: short stacking energy: -811.621
Base-Backbone interact. energy: -3.840
local terms energy: -832.518807
where:
bonds (distance) C4'-P energy: -141.600
bonds (distance) P-C4' energy: -149.219
flat angles C4'-P-C4' energy: -171.721
flat angles P-C4'-P energy: -118.800
tors. eta vs tors. theta energy: -251.180
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: 2, replica: 10
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -2674.810697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.810697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.596448 (E_RNA)
where:
Base-Base interactions energy: -1866.789
where: short stacking energy: -782.162
Base-Backbone interact. energy: -2.836
local terms energy: -809.971375
where:
bonds (distance) C4'-P energy: -132.959
bonds (distance) P-C4' energy: -148.530
flat angles C4'-P-C4' energy: -165.513
flat angles P-C4'-P energy: -120.993
tors. eta vs tors. theta energy: -241.976
Dist. restrs. and SS energy: 4.786 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -2642.665296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.665296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.150730 (E_RNA)
where:
Base-Base interactions energy: -1872.185
where: short stacking energy: -790.810
Base-Backbone interact. energy: -3.071
local terms energy: -770.895320
where:
bonds (distance) C4'-P energy: -128.593
bonds (distance) P-C4' energy: -142.360
flat angles C4'-P-C4' energy: -169.943
flat angles P-C4'-P energy: -100.273
tors. eta vs tors. theta energy: -229.726
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: 4, replica: 2
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -2486.540997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.540997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.391239 (E_RNA)
where:
Base-Base interactions energy: -1751.468
where: short stacking energy: -725.721
Base-Backbone interact. energy: 5.377
local terms energy: -753.300096
where:
bonds (distance) C4'-P energy: -133.450
bonds (distance) P-C4' energy: -133.627
flat angles C4'-P-C4' energy: -171.384
flat angles P-C4'-P energy: -107.072
tors. eta vs tors. theta energy: -207.767
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: 5, replica: 1
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -2448.953015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.953015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.594854 (E_RNA)
where:
Base-Base interactions energy: -1730.173
where: short stacking energy: -721.049
Base-Backbone interact. energy: -1.744
local terms energy: -725.678510
where:
bonds (distance) C4'-P energy: -134.703
bonds (distance) P-C4' energy: -140.723
flat angles C4'-P-C4' energy: -155.813
flat angles P-C4'-P energy: -84.607
tors. eta vs tors. theta energy: -209.833
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: 6
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -2388.516722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.516722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.767921 (E_RNA)
where:
Base-Base interactions energy: -1669.309
where: short stacking energy: -696.697
Base-Backbone interact. energy: -4.078
local terms energy: -722.381050
where:
bonds (distance) C4'-P energy: -131.744
bonds (distance) P-C4' energy: -127.049
flat angles C4'-P-C4' energy: -148.044
flat angles P-C4'-P energy: -102.490
tors. eta vs tors. theta energy: -213.054
Dist. restrs. and SS energy: 7.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -2293.478569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.478569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.914257 (E_RNA)
where:
Base-Base interactions energy: -1653.274
where: short stacking energy: -684.629
Base-Backbone interact. energy: 2.042
local terms energy: -653.682485
where:
bonds (distance) C4'-P energy: -107.611
bonds (distance) P-C4' energy: -127.845
flat angles C4'-P-C4' energy: -138.818
flat angles P-C4'-P energy: -84.823
tors. eta vs tors. theta energy: -194.586
Dist. restrs. and SS energy: 11.436 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -2204.459806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.459806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.331396 (E_RNA)
where:
Base-Base interactions energy: -1543.947
where: short stacking energy: -652.693
Base-Backbone interact. energy: 1.017
local terms energy: -670.402088
where:
bonds (distance) C4'-P energy: -119.700
bonds (distance) P-C4' energy: -109.673
flat angles C4'-P-C4' energy: -148.984
flat angles P-C4'-P energy: -101.235
tors. eta vs tors. theta energy: -190.810
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: 9, replica: 4
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -2078.050375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.050375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.382718 (E_RNA)
where:
Base-Base interactions energy: -1446.249
where: short stacking energy: -608.264
Base-Backbone interact. energy: 2.512
local terms energy: -646.645249
where:
bonds (distance) C4'-P energy: -121.458
bonds (distance) P-C4' energy: -116.331
flat angles C4'-P-C4' energy: -129.505
flat angles P-C4'-P energy: -100.102
tors. eta vs tors. theta energy: -179.249
Dist. restrs. and SS energy: 12.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -1978.356125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.356125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.303822 (E_RNA)
where:
Base-Base interactions energy: -1406.131
where: short stacking energy: -583.506
Base-Backbone interact. energy: 3.776
local terms energy: -603.948109
where:
bonds (distance) C4'-P energy: -118.035
bonds (distance) P-C4' energy: -118.595
flat angles C4'-P-C4' energy: -119.505
flat angles P-C4'-P energy: -82.299
tors. eta vs tors. theta energy: -165.513
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: 1, replica: 3
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -2819.853064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2819.853064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2826.992664 (E_RNA)
where:
Base-Base interactions energy: -1977.989
where: short stacking energy: -835.873
Base-Backbone interact. energy: -4.811
local terms energy: -844.192571
where:
bonds (distance) C4'-P energy: -127.016
bonds (distance) P-C4' energy: -164.571
flat angles C4'-P-C4' energy: -176.312
flat angles P-C4'-P energy: -127.846
tors. eta vs tors. theta energy: -248.447
Dist. restrs. and SS energy: 7.140 (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: 10
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -2694.852902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.852902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.760670 (E_RNA)
where:
Base-Base interactions energy: -1898.862
where: short stacking energy: -818.284
Base-Backbone interact. energy: 2.107
local terms energy: -802.005925
where:
bonds (distance) C4'-P energy: -129.626
bonds (distance) P-C4' energy: -142.782
flat angles C4'-P-C4' energy: -167.074
flat angles P-C4'-P energy: -110.871
tors. eta vs tors. theta energy: -251.653
Dist. restrs. and SS energy: 3.908 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -2612.070870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.070870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.010630 (E_RNA)
where:
Base-Base interactions energy: -1829.056
where: short stacking energy: -777.674
Base-Backbone interact. energy: 1.070
local terms energy: -788.023809
where:
bonds (distance) C4'-P energy: -134.062
bonds (distance) P-C4' energy: -147.764
flat angles C4'-P-C4' energy: -157.632
flat angles P-C4'-P energy: -113.291
tors. eta vs tors. theta energy: -235.275
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: 4, replica: 2
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -2505.675648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.675648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.806059 (E_RNA)
where:
Base-Base interactions energy: -1746.027
where: short stacking energy: -747.306
Base-Backbone interact. energy: -4.085
local terms energy: -762.693923
where:
bonds (distance) C4'-P energy: -135.504
bonds (distance) P-C4' energy: -146.327
flat angles C4'-P-C4' energy: -157.427
flat angles P-C4'-P energy: -99.298
tors. eta vs tors. theta energy: -224.137
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: 6
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -2421.271896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.271896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.927863 (E_RNA)
where:
Base-Base interactions energy: -1702.195
where: short stacking energy: -691.469
Base-Backbone interact. energy: -0.352
local terms energy: -723.381406
where:
bonds (distance) C4'-P energy: -118.139
bonds (distance) P-C4' energy: -150.673
flat angles C4'-P-C4' energy: -153.459
flat angles P-C4'-P energy: -97.593
tors. eta vs tors. theta energy: -203.517
Dist. restrs. and SS energy: 4.656 (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: 1
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -2435.937175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.937175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.639653 (E_RNA)
where:
Base-Base interactions energy: -1734.919
where: short stacking energy: -711.810
Base-Backbone interact. energy: -1.563
local terms energy: -712.157051
where:
bonds (distance) C4'-P energy: -124.003
bonds (distance) P-C4' energy: -125.103
flat angles C4'-P-C4' energy: -156.410
flat angles P-C4'-P energy: -90.084
tors. eta vs tors. theta energy: -216.557
Dist. restrs. and SS energy: 12.702 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -2285.065426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.065426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.842616 (E_RNA)
where:
Base-Base interactions energy: -1593.353
where: short stacking energy: -668.208
Base-Backbone interact. energy: -2.260
local terms energy: -697.229384
where:
bonds (distance) C4'-P energy: -106.176
bonds (distance) P-C4' energy: -136.256
flat angles C4'-P-C4' energy: -151.141
flat angles P-C4'-P energy: -96.660
tors. eta vs tors. theta energy: -206.996
Dist. restrs. and SS energy: 7.777 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -2194.584952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.584952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.445626 (E_RNA)
where:
Base-Base interactions energy: -1541.553
where: short stacking energy: -634.087
Base-Backbone interact. energy: 4.721
local terms energy: -666.612736
where:
bonds (distance) C4'-P energy: -114.187
bonds (distance) P-C4' energy: -126.961
flat angles C4'-P-C4' energy: -147.505
flat angles P-C4'-P energy: -100.454
tors. eta vs tors. theta energy: -177.505
Dist. restrs. and SS energy: 8.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -2065.473739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.473739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.753811 (E_RNA)
where:
Base-Base interactions energy: -1452.382
where: short stacking energy: -593.498
Base-Backbone interact. energy: -3.172
local terms energy: -626.199782
where:
bonds (distance) C4'-P energy: -109.847
bonds (distance) P-C4' energy: -126.654
flat angles C4'-P-C4' energy: -141.042
flat angles P-C4'-P energy: -81.466
tors. eta vs tors. theta energy: -167.192
Dist. restrs. and SS energy: 16.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -1958.733156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.733156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.416713 (E_RNA)
where:
Base-Base interactions energy: -1394.833
where: short stacking energy: -590.322
Base-Backbone interact. energy: -0.430
local terms energy: -586.153303
where:
bonds (distance) C4'-P energy: -105.748
bonds (distance) P-C4' energy: -90.327
flat angles C4'-P-C4' energy: -129.574
flat angles P-C4'-P energy: -78.825
tors. eta vs tors. theta energy: -181.679
Dist. restrs. and SS energy: 22.684 (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: 3
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -2836.109805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2836.109805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2839.080403 (E_RNA)
where:
Base-Base interactions energy: -1992.035
where: short stacking energy: -828.340
Base-Backbone interact. energy: 0.191
local terms energy: -847.236269
where:
bonds (distance) C4'-P energy: -141.929
bonds (distance) P-C4' energy: -158.372
flat angles C4'-P-C4' energy: -176.994
flat angles P-C4'-P energy: -118.036
tors. eta vs tors. theta energy: -251.906
Dist. restrs. and SS energy: 2.971 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -2721.049880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.049880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.174617 (E_RNA)
where:
Base-Base interactions energy: -1909.897
where: short stacking energy: -828.103
Base-Backbone interact. energy: -2.988
local terms energy: -811.289537
where:
bonds (distance) C4'-P energy: -131.239
bonds (distance) P-C4' energy: -140.981
flat angles C4'-P-C4' energy: -165.830
flat angles P-C4'-P energy: -122.602
tors. eta vs tors. theta energy: -250.639
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: 3, replica: 8
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -2645.264025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.264025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.052440 (E_RNA)
where:
Base-Base interactions energy: -1875.814
where: short stacking energy: -774.946
Base-Backbone interact. energy: 0.693
local terms energy: -774.930952
where:
bonds (distance) C4'-P energy: -130.839
bonds (distance) P-C4' energy: -139.808
flat angles C4'-P-C4' energy: -166.459
flat angles P-C4'-P energy: -105.052
tors. eta vs tors. theta energy: -232.773
Dist. restrs. and SS energy: 4.788 (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: 2
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -2513.922025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.922025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.616517 (E_RNA)
where:
Base-Base interactions energy: -1755.020
where: short stacking energy: -737.560
Base-Backbone interact. energy: 0.297
local terms energy: -764.892938
where:
bonds (distance) C4'-P energy: -135.411
bonds (distance) P-C4' energy: -136.666
flat angles C4'-P-C4' energy: -163.475
flat angles P-C4'-P energy: -106.558
tors. eta vs tors. theta energy: -222.783
Dist. restrs. and SS energy: 5.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -2429.360043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.360043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.761219 (E_RNA)
where:
Base-Base interactions energy: -1707.139
where: short stacking energy: -714.748
Base-Backbone interact. energy: -0.309
local terms energy: -728.313665
where:
bonds (distance) C4'-P energy: -111.773
bonds (distance) P-C4' energy: -139.273
flat angles C4'-P-C4' energy: -155.771
flat angles P-C4'-P energy: -107.857
tors. eta vs tors. theta energy: -213.639
Dist. restrs. and SS energy: 6.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -2349.275813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.275813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.273300 (E_RNA)
where:
Base-Base interactions energy: -1663.450
where: short stacking energy: -705.062
Base-Backbone interact. energy: -1.217
local terms energy: -693.606039
where:
bonds (distance) C4'-P energy: -123.754
bonds (distance) P-C4' energy: -128.376
flat angles C4'-P-C4' energy: -140.453
flat angles P-C4'-P energy: -95.476
tors. eta vs tors. theta energy: -205.548
Dist. restrs. and SS energy: 8.997 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -2237.169382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.169382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.411166 (E_RNA)
where:
Base-Base interactions energy: -1593.110
where: short stacking energy: -642.002
Base-Backbone interact. energy: -4.400
local terms energy: -650.900987
where:
bonds (distance) C4'-P energy: -118.313
bonds (distance) P-C4' energy: -133.731
flat angles C4'-P-C4' energy: -142.926
flat angles P-C4'-P energy: -69.089
tors. eta vs tors. theta energy: -186.841
Dist. restrs. and SS energy: 11.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -2197.468255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.468255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.356658 (E_RNA)
where:
Base-Base interactions energy: -1555.818
where: short stacking energy: -660.705
Base-Backbone interact. energy: 1.055
local terms energy: -650.593557
where:
bonds (distance) C4'-P energy: -111.024
bonds (distance) P-C4' energy: -105.588
flat angles C4'-P-C4' energy: -163.723
flat angles P-C4'-P energy: -84.668
tors. eta vs tors. theta energy: -185.590
Dist. restrs. and SS energy: 7.888 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -1959.966076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.966076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.807539 (E_RNA)
where:
Base-Base interactions energy: -1391.043
where: short stacking energy: -569.939
Base-Backbone interact. energy: -1.603
local terms energy: -580.161344
where:
bonds (distance) C4'-P energy: -112.584
bonds (distance) P-C4' energy: -101.094
flat angles C4'-P-C4' energy: -123.345
flat angles P-C4'-P energy: -93.331
tors. eta vs tors. theta energy: -149.808
Dist. restrs. and SS energy: 12.841 (S_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: 257
Temperature: 1.350000
Total energy: -1951.771539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.771539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.366830 (E_RNA)
where:
Base-Base interactions energy: -1379.719
where: short stacking energy: -577.515
Base-Backbone interact. energy: -0.854
local terms energy: -597.793321
where:
bonds (distance) C4'-P energy: -126.504
bonds (distance) P-C4' energy: -109.623
flat angles C4'-P-C4' energy: -123.953
flat angles P-C4'-P energy: -75.433
tors. eta vs tors. theta energy: -162.279
Dist. restrs. and SS energy: 26.595 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -2743.070973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2743.070973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.059376 (E_RNA)
where:
Base-Base interactions energy: -1921.162
where: short stacking energy: -817.062
Base-Backbone interact. energy: -3.559
local terms energy: -821.338078
where:
bonds (distance) C4'-P energy: -149.047
bonds (distance) P-C4' energy: -138.958
flat angles C4'-P-C4' energy: -177.316
flat angles P-C4'-P energy: -108.493
tors. eta vs tors. theta energy: -247.524
Dist. restrs. and SS energy: 2.988 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -2762.633940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.633940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.364753 (E_RNA)
where:
Base-Base interactions energy: -1941.557
where: short stacking energy: -813.398
Base-Backbone interact. energy: -0.851
local terms energy: -824.956305
where:
bonds (distance) C4'-P energy: -148.670
bonds (distance) P-C4' energy: -150.648
flat angles C4'-P-C4' energy: -166.408
flat angles P-C4'-P energy: -113.970
tors. eta vs tors. theta energy: -245.261
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: 3, replica: 8
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -2619.217801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.217801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.696014 (E_RNA)
where:
Base-Base interactions energy: -1853.979
where: short stacking energy: -780.421
Base-Backbone interact. energy: -1.007
local terms energy: -770.709608
where:
bonds (distance) C4'-P energy: -134.864
bonds (distance) P-C4' energy: -135.162
flat angles C4'-P-C4' energy: -164.873
flat angles P-C4'-P energy: -109.815
tors. eta vs tors. theta energy: -225.997
Dist. restrs. and SS energy: 6.478 (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: 2
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -2566.935870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.935870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.623143 (E_RNA)
where:
Base-Base interactions energy: -1816.185
where: short stacking energy: -761.812
Base-Backbone interact. energy: -2.695
local terms energy: -754.742853
where:
bonds (distance) C4'-P energy: -128.390
bonds (distance) P-C4' energy: -133.277
flat angles C4'-P-C4' energy: -160.487
flat angles P-C4'-P energy: -99.066
tors. eta vs tors. theta energy: -233.523
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: 5, replica: 6
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -2441.090101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.090101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.008509 (E_RNA)
where:
Base-Base interactions energy: -1709.376
where: short stacking energy: -710.291
Base-Backbone interact. energy: -0.371
local terms energy: -737.261797
where:
bonds (distance) C4'-P energy: -113.687
bonds (distance) P-C4' energy: -141.000
flat angles C4'-P-C4' energy: -167.327
flat angles P-C4'-P energy: -96.804
tors. eta vs tors. theta energy: -218.445
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: 6, replica: 1
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -2413.870207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.870207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.300009 (E_RNA)
where:
Base-Base interactions energy: -1696.600
where: short stacking energy: -713.403
Base-Backbone interact. energy: -1.239
local terms energy: -722.461303
where:
bonds (distance) C4'-P energy: -124.686
bonds (distance) P-C4' energy: -143.136
flat angles C4'-P-C4' energy: -145.505
flat angles P-C4'-P energy: -95.181
tors. eta vs tors. theta energy: -213.954
Dist. restrs. and SS energy: 6.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -2235.685184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.685184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.924850 (E_RNA)
where:
Base-Base interactions energy: -1593.603
where: short stacking energy: -640.903
Base-Backbone interact. energy: -1.241
local terms energy: -647.080383
where:
bonds (distance) C4'-P energy: -113.054
bonds (distance) P-C4' energy: -128.323
flat angles C4'-P-C4' energy: -145.577
flat angles P-C4'-P energy: -82.949
tors. eta vs tors. theta energy: -177.177
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: 8, replica: 9
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -2196.696103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.696103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.741068 (E_RNA)
where:
Base-Base interactions energy: -1560.774
where: short stacking energy: -666.680
Base-Backbone interact. energy: -1.107
local terms energy: -646.860677
where:
bonds (distance) C4'-P energy: -115.022
bonds (distance) P-C4' energy: -119.211
flat angles C4'-P-C4' energy: -134.505
flat angles P-C4'-P energy: -84.728
tors. eta vs tors. theta energy: -193.395
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: 9, replica: 4
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -1994.853857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.853857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.332864 (E_RNA)
where:
Base-Base interactions energy: -1427.913
where: short stacking energy: -575.229
Base-Backbone interact. energy: -2.575
local terms energy: -574.845488
where:
bonds (distance) C4'-P energy: -107.483
bonds (distance) P-C4' energy: -106.768
flat angles C4'-P-C4' energy: -134.600
flat angles P-C4'-P energy: -71.659
tors. eta vs tors. theta energy: -154.335
Dist. restrs. and SS energy: 10.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -1931.439990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.439990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.116086 (E_RNA)
where:
Base-Base interactions energy: -1357.172
where: short stacking energy: -564.917
Base-Backbone interact. energy: -4.513
local terms energy: -591.431188
where:
bonds (distance) C4'-P energy: -105.343
bonds (distance) P-C4' energy: -122.426
flat angles C4'-P-C4' energy: -116.481
flat angles P-C4'-P energy: -83.626
tors. eta vs tors. theta energy: -163.556
Dist. restrs. and SS energy: 21.676 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -2772.258764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2772.258764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2775.112472 (E_RNA)
where:
Base-Base interactions energy: -1929.310
where: short stacking energy: -843.058
Base-Backbone interact. energy: -2.968
local terms energy: -842.834809
where:
bonds (distance) C4'-P energy: -145.441
bonds (distance) P-C4' energy: -150.903
flat angles C4'-P-C4' energy: -177.641
flat angles P-C4'-P energy: -118.053
tors. eta vs tors. theta energy: -250.797
Dist. restrs. and SS energy: 2.854 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -2766.099067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.099067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2771.159102 (E_RNA)
where:
Base-Base interactions energy: -1941.107
where: short stacking energy: -814.229
Base-Backbone interact. energy: -0.961
local terms energy: -829.090433
where:
bonds (distance) C4'-P energy: -150.981
bonds (distance) P-C4' energy: -145.491
flat angles C4'-P-C4' energy: -168.599
flat angles P-C4'-P energy: -124.156
tors. eta vs tors. theta energy: -239.863
Dist. restrs. and SS energy: 5.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -2611.097257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.097257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.543478 (E_RNA)
where:
Base-Base interactions energy: -1837.530
where: short stacking energy: -783.479
Base-Backbone interact. energy: -4.098
local terms energy: -772.915895
where:
bonds (distance) C4'-P energy: -134.096
bonds (distance) P-C4' energy: -129.341
flat angles C4'-P-C4' energy: -164.478
flat angles P-C4'-P energy: -121.927
tors. eta vs tors. theta energy: -223.073
Dist. restrs. and SS energy: 3.446 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -2529.333983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.333983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.625449 (E_RNA)
where:
Base-Base interactions energy: -1776.905
where: short stacking energy: -764.609
Base-Backbone interact. energy: -0.306
local terms energy: -755.413926
where:
bonds (distance) C4'-P energy: -133.554
bonds (distance) P-C4' energy: -114.870
flat angles C4'-P-C4' energy: -162.654
flat angles P-C4'-P energy: -112.075
tors. eta vs tors. theta energy: -232.262
Dist. restrs. and SS energy: 3.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -2445.620895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.620895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.855186 (E_RNA)
where:
Base-Base interactions energy: -1716.493
where: short stacking energy: -736.039
Base-Backbone interact. energy: -2.338
local terms energy: -731.023485
where:
bonds (distance) C4'-P energy: -126.433
bonds (distance) P-C4' energy: -131.437
flat angles C4'-P-C4' energy: -153.071
flat angles P-C4'-P energy: -107.573
tors. eta vs tors. theta energy: -212.511
Dist. restrs. and SS energy: 4.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -2283.290571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.290571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.535028 (E_RNA)
where:
Base-Base interactions energy: -1634.494
where: short stacking energy: -682.550
Base-Backbone interact. energy: 0.919
local terms energy: -658.959275
where:
bonds (distance) C4'-P energy: -116.295
bonds (distance) P-C4' energy: -122.456
flat angles C4'-P-C4' energy: -136.070
flat angles P-C4'-P energy: -87.094
tors. eta vs tors. theta energy: -197.044
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: 7, replica: 1
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -2301.914237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.914237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.371234 (E_RNA)
where:
Base-Base interactions energy: -1626.073
where: short stacking energy: -675.531
Base-Backbone interact. energy: -0.966
local terms energy: -686.332280
where:
bonds (distance) C4'-P energy: -97.465
bonds (distance) P-C4' energy: -133.152
flat angles C4'-P-C4' energy: -149.759
flat angles P-C4'-P energy: -105.931
tors. eta vs tors. theta energy: -200.025
Dist. restrs. and SS energy: 11.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -2196.088182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.088182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.465657 (E_RNA)
where:
Base-Base interactions energy: -1568.437
where: short stacking energy: -654.207
Base-Backbone interact. energy: -2.123
local terms energy: -637.905172
where:
bonds (distance) C4'-P energy: -127.682
bonds (distance) P-C4' energy: -110.757
flat angles C4'-P-C4' energy: -119.764
flat angles P-C4'-P energy: -89.717
tors. eta vs tors. theta energy: -189.985
Dist. restrs. and SS energy: 12.377 (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: 4
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -1984.519535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.519535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.432088 (E_RNA)
where:
Base-Base interactions energy: -1395.958
where: short stacking energy: -566.030
Base-Backbone interact. energy: 1.285
local terms energy: -604.759386
where:
bonds (distance) C4'-P energy: -136.188
bonds (distance) P-C4' energy: -126.814
flat angles C4'-P-C4' energy: -122.963
flat angles P-C4'-P energy: -82.387
tors. eta vs tors. theta energy: -136.408
Dist. restrs. and SS energy: 14.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -1896.709085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.709085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.386551 (E_RNA)
where:
Base-Base interactions energy: -1353.421
where: short stacking energy: -553.627
Base-Backbone interact. energy: -0.518
local terms energy: -570.447525
where:
bonds (distance) C4'-P energy: -98.172
bonds (distance) P-C4' energy: -120.447
flat angles C4'-P-C4' energy: -118.215
flat angles P-C4'-P energy: -87.928
tors. eta vs tors. theta energy: -145.686
Dist. restrs. and SS energy: 27.677 (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: 3
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -2782.717025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.717025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.524953 (E_RNA)
where:
Base-Base interactions energy: -1936.206
where: short stacking energy: -813.993
Base-Backbone interact. energy: -3.788
local terms energy: -846.530997
where:
bonds (distance) C4'-P energy: -143.019
bonds (distance) P-C4' energy: -155.421
flat angles C4'-P-C4' energy: -166.669
flat angles P-C4'-P energy: -133.266
tors. eta vs tors. theta energy: -248.156
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: 2, replica: 10
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -2705.966478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.966478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.214987 (E_RNA)
where:
Base-Base interactions energy: -1914.451
where: short stacking energy: -816.616
Base-Backbone interact. energy: -4.641
local terms energy: -790.123141
where:
bonds (distance) C4'-P energy: -129.642
bonds (distance) P-C4' energy: -144.901
flat angles C4'-P-C4' energy: -159.867
flat angles P-C4'-P energy: -108.882
tors. eta vs tors. theta energy: -246.832
Dist. restrs. and SS energy: 3.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -2592.987775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.987775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.270834 (E_RNA)
where:
Base-Base interactions energy: -1811.540
where: short stacking energy: -753.852
Base-Backbone interact. energy: -1.542
local terms energy: -783.188664
where:
bonds (distance) C4'-P energy: -143.585
bonds (distance) P-C4' energy: -135.674
flat angles C4'-P-C4' energy: -168.659
flat angles P-C4'-P energy: -113.427
tors. eta vs tors. theta energy: -221.843
Dist. restrs. and SS energy: 3.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -2544.897267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.897267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.267491 (E_RNA)
where:
Base-Base interactions energy: -1809.790
where: short stacking energy: -763.270
Base-Backbone interact. energy: -0.823
local terms energy: -735.654509
where:
bonds (distance) C4'-P energy: -112.402
bonds (distance) P-C4' energy: -125.095
flat angles C4'-P-C4' energy: -159.829
flat angles P-C4'-P energy: -106.013
tors. eta vs tors. theta energy: -232.316
Dist. restrs. and SS energy: 1.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -2435.853278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.853278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.965840 (E_RNA)
where:
Base-Base interactions energy: -1701.915
where: short stacking energy: -726.356
Base-Backbone interact. energy: -3.173
local terms energy: -733.877997
where:
bonds (distance) C4'-P energy: -125.965
bonds (distance) P-C4' energy: -127.267
flat angles C4'-P-C4' energy: -149.991
flat angles P-C4'-P energy: -106.929
tors. eta vs tors. theta energy: -223.726
Dist. restrs. and SS energy: 3.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -2333.905975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.905975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.172756 (E_RNA)
where:
Base-Base interactions energy: -1637.877
where: short stacking energy: -679.462
Base-Backbone interact. energy: -2.907
local terms energy: -699.388834
where:
bonds (distance) C4'-P energy: -129.804
bonds (distance) P-C4' energy: -132.954
flat angles C4'-P-C4' energy: -154.341
flat angles P-C4'-P energy: -89.663
tors. eta vs tors. theta energy: -192.627
Dist. restrs. and SS energy: 6.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -2302.899278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.899278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.329034 (E_RNA)
where:
Base-Base interactions energy: -1650.502
where: short stacking energy: -676.334
Base-Backbone interact. energy: -2.234
local terms energy: -654.593105
where:
bonds (distance) C4'-P energy: -104.124
bonds (distance) P-C4' energy: -131.219
flat angles C4'-P-C4' energy: -138.331
flat angles P-C4'-P energy: -90.610
tors. eta vs tors. theta energy: -190.309
Dist. restrs. and SS energy: 4.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -2241.027618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.027618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.733772 (E_RNA)
where:
Base-Base interactions energy: -1585.986
where: short stacking energy: -679.552
Base-Backbone interact. energy: -1.538
local terms energy: -670.210470
where:
bonds (distance) C4'-P energy: -116.330
bonds (distance) P-C4' energy: -120.063
flat angles C4'-P-C4' energy: -149.121
flat angles P-C4'-P energy: -94.588
tors. eta vs tors. theta energy: -190.108
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: 9, replica: 4
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -1995.252125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.252125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.151442 (E_RNA)
where:
Base-Base interactions energy: -1428.489
where: short stacking energy: -576.711
Base-Backbone interact. energy: -3.078
local terms energy: -579.584848
where:
bonds (distance) C4'-P energy: -116.034
bonds (distance) P-C4' energy: -109.027
flat angles C4'-P-C4' energy: -121.260
flat angles P-C4'-P energy: -68.602
tors. eta vs tors. theta energy: -164.662
Dist. restrs. and SS energy: 15.899 (S_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: 260
Temperature: 1.350000
Total energy: -1921.353273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.353273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.950753 (E_RNA)
where:
Base-Base interactions energy: -1345.626
where: short stacking energy: -555.143
Base-Backbone interact. energy: 1.084
local terms energy: -604.408787
where:
bonds (distance) C4'-P energy: -117.922
bonds (distance) P-C4' energy: -114.674
flat angles C4'-P-C4' energy: -146.546
flat angles P-C4'-P energy: -75.866
tors. eta vs tors. theta energy: -149.400
Dist. restrs. and SS energy: 27.597 (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: 3
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -2788.890685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.890685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.207828 (E_RNA)
where:
Base-Base interactions energy: -1963.702
where: short stacking energy: -816.677
Base-Backbone interact. energy: -4.539
local terms energy: -823.966579
where:
bonds (distance) C4'-P energy: -131.968
bonds (distance) P-C4' energy: -163.237
flat angles C4'-P-C4' energy: -173.615
flat angles P-C4'-P energy: -114.393
tors. eta vs tors. theta energy: -240.753
Dist. restrs. and SS energy: 3.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -2698.767257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.767257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.988101 (E_RNA)
where:
Base-Base interactions energy: -1873.914
where: short stacking energy: -819.912
Base-Backbone interact. energy: -3.095
local terms energy: -824.979964
where:
bonds (distance) C4'-P energy: -137.339
bonds (distance) P-C4' energy: -146.291
flat angles C4'-P-C4' energy: -175.555
flat angles P-C4'-P energy: -112.885
tors. eta vs tors. theta energy: -252.910
Dist. restrs. and SS energy: 3.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -2627.068941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.068941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.035805 (E_RNA)
where:
Base-Base interactions energy: -1839.160
where: short stacking energy: -789.489
Base-Backbone interact. energy: -0.836
local terms energy: -791.039911
where:
bonds (distance) C4'-P energy: -139.018
bonds (distance) P-C4' energy: -142.296
flat angles C4'-P-C4' energy: -157.169
flat angles P-C4'-P energy: -114.098
tors. eta vs tors. theta energy: -238.459
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: 8
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -2562.810084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.810084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.290083 (E_RNA)
where:
Base-Base interactions energy: -1801.561
where: short stacking energy: -772.835
Base-Backbone interact. energy: -2.676
local terms energy: -761.052223
where:
bonds (distance) C4'-P energy: -115.909
bonds (distance) P-C4' energy: -135.261
flat angles C4'-P-C4' energy: -174.842
flat angles P-C4'-P energy: -112.366
tors. eta vs tors. theta energy: -222.674
Dist. restrs. and SS energy: 2.480 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -2388.301654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.301654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.549503 (E_RNA)
where:
Base-Base interactions energy: -1668.348
where: short stacking energy: -696.167
Base-Backbone interact. energy: -2.533
local terms energy: -723.669005
where:
bonds (distance) C4'-P energy: -141.842
bonds (distance) P-C4' energy: -126.477
flat angles C4'-P-C4' energy: -144.363
flat angles P-C4'-P energy: -104.848
tors. eta vs tors. theta energy: -206.138
Dist. restrs. and SS energy: 6.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -2335.965326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.965326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.896767 (E_RNA)
where:
Base-Base interactions energy: -1647.636
where: short stacking energy: -692.699
Base-Backbone interact. energy: -3.038
local terms energy: -693.222380
where:
bonds (distance) C4'-P energy: -118.000
bonds (distance) P-C4' energy: -132.894
flat angles C4'-P-C4' energy: -142.325
flat angles P-C4'-P energy: -100.063
tors. eta vs tors. theta energy: -199.940
Dist. restrs. and SS energy: 7.931 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -2289.821262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.821262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.136737 (E_RNA)
where:
Base-Base interactions energy: -1607.029
where: short stacking energy: -658.701
Base-Backbone interact. energy: -1.612
local terms energy: -688.496219
where:
bonds (distance) C4'-P energy: -136.592
bonds (distance) P-C4' energy: -125.516
flat angles C4'-P-C4' energy: -142.971
flat angles P-C4'-P energy: -96.654
tors. eta vs tors. theta energy: -186.764
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: 8, replica: 9
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -2215.822312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.822312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.125748 (E_RNA)
where:
Base-Base interactions energy: -1592.144
where: short stacking energy: -646.809
Base-Backbone interact. energy: -2.772
local terms energy: -634.209318
where:
bonds (distance) C4'-P energy: -115.722
bonds (distance) P-C4' energy: -106.887
flat angles C4'-P-C4' energy: -137.506
flat angles P-C4'-P energy: -92.297
tors. eta vs tors. theta energy: -181.797
Dist. restrs. and SS energy: 13.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -1947.756216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.756216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.182623 (E_RNA)
where:
Base-Base interactions energy: -1377.962
where: short stacking energy: -543.108
Base-Backbone interact. energy: -2.059
local terms energy: -581.162168
where:
bonds (distance) C4'-P energy: -102.915
bonds (distance) P-C4' energy: -124.817
flat angles C4'-P-C4' energy: -134.522
flat angles P-C4'-P energy: -76.218
tors. eta vs tors. theta energy: -142.690
Dist. restrs. and SS energy: 13.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -1932.397974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.397974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.534064 (E_RNA)
where:
Base-Base interactions energy: -1376.811
where: short stacking energy: -541.855
Base-Backbone interact. energy: 3.386
local terms energy: -593.109234
where:
bonds (distance) C4'-P energy: -109.304
bonds (distance) P-C4' energy: -104.079
flat angles C4'-P-C4' energy: -149.025
flat angles P-C4'-P energy: -70.772
tors. eta vs tors. theta energy: -159.929
Dist. restrs. and SS energy: 34.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -2794.666090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.666090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.964760 (E_RNA)
where:
Base-Base interactions energy: -1967.775
where: short stacking energy: -832.794
Base-Backbone interact. energy: -3.019
local terms energy: -827.171449
where:
bonds (distance) C4'-P energy: -143.762
bonds (distance) P-C4' energy: -152.966
flat angles C4'-P-C4' energy: -175.638
flat angles P-C4'-P energy: -110.290
tors. eta vs tors. theta energy: -244.515
Dist. restrs. and SS energy: 3.299 (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: 10
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -2715.494138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.494138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.939190 (E_RNA)
where:
Base-Base interactions energy: -1912.700
where: short stacking energy: -809.398
Base-Backbone interact. energy: -3.650
local terms energy: -802.589487
where:
bonds (distance) C4'-P energy: -126.948
bonds (distance) P-C4' energy: -138.677
flat angles C4'-P-C4' energy: -168.436
flat angles P-C4'-P energy: -120.220
tors. eta vs tors. theta energy: -248.309
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: 3, replica: 2
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -2583.628702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.628702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.137824 (E_RNA)
where:
Base-Base interactions energy: -1834.359
where: short stacking energy: -772.675
Base-Backbone interact. energy: -4.564
local terms energy: -748.214844
where:
bonds (distance) C4'-P energy: -116.055
bonds (distance) P-C4' energy: -136.456
flat angles C4'-P-C4' energy: -160.217
flat angles P-C4'-P energy: -110.914
tors. eta vs tors. theta energy: -224.573
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: 4, replica: 8
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -2587.235878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.235878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.004226 (E_RNA)
where:
Base-Base interactions energy: -1781.526
where: short stacking energy: -751.391
Base-Backbone interact. energy: -3.558
local terms energy: -805.921034
where:
bonds (distance) C4'-P energy: -138.962
bonds (distance) P-C4' energy: -150.719
flat angles C4'-P-C4' energy: -171.766
flat angles P-C4'-P energy: -115.397
tors. eta vs tors. theta energy: -229.077
Dist. restrs. and SS energy: 3.768 (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: 6
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -2423.067467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.067467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.279856 (E_RNA)
where:
Base-Base interactions energy: -1677.091
where: short stacking energy: -717.845
Base-Backbone interact. energy: -3.369
local terms energy: -750.820139
where:
bonds (distance) C4'-P energy: -128.970
bonds (distance) P-C4' energy: -130.614
flat angles C4'-P-C4' energy: -158.663
flat angles P-C4'-P energy: -110.035
tors. eta vs tors. theta energy: -222.539
Dist. restrs. and SS energy: 8.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -2347.637364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.637364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.424487 (E_RNA)
where:
Base-Base interactions energy: -1657.937
where: short stacking energy: -699.487
Base-Backbone interact. energy: -0.074
local terms energy: -697.412744
where:
bonds (distance) C4'-P energy: -116.488
bonds (distance) P-C4' energy: -123.813
flat angles C4'-P-C4' energy: -156.151
flat angles P-C4'-P energy: -107.606
tors. eta vs tors. theta energy: -193.354
Dist. restrs. and SS energy: 7.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -2284.760551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.760551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.432675 (E_RNA)
where:
Base-Base interactions energy: -1617.851
where: short stacking energy: -663.021
Base-Backbone interact. energy: -3.600
local terms energy: -669.981889
where:
bonds (distance) C4'-P energy: -127.018
bonds (distance) P-C4' energy: -127.656
flat angles C4'-P-C4' energy: -139.449
flat angles P-C4'-P energy: -90.165
tors. eta vs tors. theta energy: -185.694
Dist. restrs. and SS energy: 6.672 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -2170.997739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.997739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.253468 (E_RNA)
where:
Base-Base interactions energy: -1556.282
where: short stacking energy: -668.618
Base-Backbone interact. energy: -0.260
local terms energy: -632.711427
where:
bonds (distance) C4'-P energy: -108.451
bonds (distance) P-C4' energy: -110.118
flat angles C4'-P-C4' energy: -136.626
flat angles P-C4'-P energy: -92.472
tors. eta vs tors. theta energy: -185.044
Dist. restrs. and SS energy: 18.256 (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: 4
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -2028.967262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.967262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.912559 (E_RNA)
where:
Base-Base interactions energy: -1441.416
where: short stacking energy: -589.938
Base-Backbone interact. energy: 5.015
local terms energy: -607.511172
where:
bonds (distance) C4'-P energy: -94.763
bonds (distance) P-C4' energy: -104.299
flat angles C4'-P-C4' energy: -142.548
flat angles P-C4'-P energy: -91.507
tors. eta vs tors. theta energy: -174.394
Dist. restrs. and SS energy: 14.945 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -1942.385479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.385479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.414932 (E_RNA)
where:
Base-Base interactions energy: -1369.655
where: short stacking energy: -587.610
Base-Backbone interact. energy: 0.588
local terms energy: -599.348034
where:
bonds (distance) C4'-P energy: -106.329
bonds (distance) P-C4' energy: -115.540
flat angles C4'-P-C4' energy: -128.774
flat angles P-C4'-P energy: -81.530
tors. eta vs tors. theta energy: -167.174
Dist. restrs. and SS energy: 26.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -2779.908295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2779.908295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.042761 (E_RNA)
where:
Base-Base interactions energy: -1948.136
where: short stacking energy: -815.299
Base-Backbone interact. energy: -3.262
local terms energy: -830.645120
where:
bonds (distance) C4'-P energy: -137.871
bonds (distance) P-C4' energy: -154.927
flat angles C4'-P-C4' energy: -175.102
flat angles P-C4'-P energy: -117.524
tors. eta vs tors. theta energy: -245.221
Dist. restrs. and SS energy: 2.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -2756.603392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.603392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.711585 (E_RNA)
where:
Base-Base interactions energy: -1935.446
where: short stacking energy: -827.514
Base-Backbone interact. energy: -5.872
local terms energy: -819.394050
where:
bonds (distance) C4'-P energy: -136.635
bonds (distance) P-C4' energy: -139.942
flat angles C4'-P-C4' energy: -174.150
flat angles P-C4'-P energy: -115.304
tors. eta vs tors. theta energy: -253.364
Dist. restrs. and SS energy: 4.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -2606.316242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.316242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.307854 (E_RNA)
where:
Base-Base interactions energy: -1846.097
where: short stacking energy: -771.937
Base-Backbone interact. energy: 1.179
local terms energy: -766.389822
where:
bonds (distance) C4'-P energy: -110.701
bonds (distance) P-C4' energy: -151.934
flat angles C4'-P-C4' energy: -180.845
flat angles P-C4'-P energy: -91.606
tors. eta vs tors. theta energy: -231.305
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: 4, replica: 8
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -2553.149559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.149559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.375657 (E_RNA)
where:
Base-Base interactions energy: -1818.278
where: short stacking energy: -751.608
Base-Backbone interact. energy: 7.356
local terms energy: -746.453281
where:
bonds (distance) C4'-P energy: -114.652
bonds (distance) P-C4' energy: -147.982
flat angles C4'-P-C4' energy: -158.883
flat angles P-C4'-P energy: -101.841
tors. eta vs tors. theta energy: -223.094
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: 5, replica: 6
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -2411.615533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.615533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.162869 (E_RNA)
where:
Base-Base interactions energy: -1689.509
where: short stacking energy: -709.223
Base-Backbone interact. energy: 0.349
local terms energy: -731.002883
where:
bonds (distance) C4'-P energy: -128.447
bonds (distance) P-C4' energy: -133.690
flat angles C4'-P-C4' energy: -165.492
flat angles P-C4'-P energy: -94.626
tors. eta vs tors. theta energy: -208.747
Dist. restrs. and SS energy: 8.547 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -2294.727897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.727897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.981524 (E_RNA)
where:
Base-Base interactions energy: -1609.514
where: short stacking energy: -680.514
Base-Backbone interact. energy: -2.257
local terms energy: -694.211130
where:
bonds (distance) C4'-P energy: -118.363
bonds (distance) P-C4' energy: -121.433
flat angles C4'-P-C4' energy: -145.270
flat angles P-C4'-P energy: -105.765
tors. eta vs tors. theta energy: -203.381
Dist. restrs. and SS energy: 11.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -2288.176836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.176836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.405245 (E_RNA)
where:
Base-Base interactions energy: -1610.907
where: short stacking energy: -676.975
Base-Backbone interact. energy: 4.623
local terms energy: -691.121159
where:
bonds (distance) C4'-P energy: -132.247
bonds (distance) P-C4' energy: -127.065
flat angles C4'-P-C4' energy: -141.380
flat angles P-C4'-P energy: -90.889
tors. eta vs tors. theta energy: -199.539
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: 8, replica: 9
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -2208.062475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.062475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.004741 (E_RNA)
where:
Base-Base interactions energy: -1579.594
where: short stacking energy: -639.489
Base-Backbone interact. energy: -2.623
local terms energy: -632.787921
where:
bonds (distance) C4'-P energy: -99.262
bonds (distance) P-C4' energy: -102.867
flat angles C4'-P-C4' energy: -140.759
flat angles P-C4'-P energy: -92.715
tors. eta vs tors. theta energy: -197.185
Dist. restrs. and SS energy: 6.942 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -2010.886682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.886682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.871900 (E_RNA)
where:
Base-Base interactions energy: -1400.346
where: short stacking energy: -570.797
Base-Backbone interact. energy: 2.657
local terms energy: -629.183223
where:
bonds (distance) C4'-P energy: -128.096
bonds (distance) P-C4' energy: -129.655
flat angles C4'-P-C4' energy: -131.425
flat angles P-C4'-P energy: -86.192
tors. eta vs tors. theta energy: -153.815
Dist. restrs. and SS energy: 15.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -1910.462163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.462163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.950059 (E_RNA)
where:
Base-Base interactions energy: -1370.912
where: short stacking energy: -571.249
Base-Backbone interact. energy: -2.042
local terms energy: -559.996704
where:
bonds (distance) C4'-P energy: -107.205
bonds (distance) P-C4' energy: -98.331
flat angles C4'-P-C4' energy: -116.914
flat angles P-C4'-P energy: -84.731
tors. eta vs tors. theta energy: -152.815
Dist. restrs. and SS energy: 22.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -2785.874376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.874376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.737130 (E_RNA)
where:
Base-Base interactions energy: -1959.470
where: short stacking energy: -820.732
Base-Backbone interact. energy: -2.866
local terms energy: -828.400839
where:
bonds (distance) C4'-P energy: -155.248
bonds (distance) P-C4' energy: -140.471
flat angles C4'-P-C4' energy: -180.008
flat angles P-C4'-P energy: -107.557
tors. eta vs tors. theta energy: -245.117
Dist. restrs. and SS energy: 4.863 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -2714.228787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.228787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.820964 (E_RNA)
where:
Base-Base interactions energy: -1903.372
where: short stacking energy: -823.203
Base-Backbone interact. energy: -1.269
local terms energy: -814.179786
where:
bonds (distance) C4'-P energy: -133.689
bonds (distance) P-C4' energy: -140.111
flat angles C4'-P-C4' energy: -170.848
flat angles P-C4'-P energy: -111.681
tors. eta vs tors. theta energy: -257.851
Dist. restrs. and SS energy: 4.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -2587.600735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.600735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.031226 (E_RNA)
where:
Base-Base interactions energy: -1826.170
where: short stacking energy: -763.726
Base-Backbone interact. energy: -2.995
local terms energy: -763.866417
where:
bonds (distance) C4'-P energy: -142.069
bonds (distance) P-C4' energy: -134.702
flat angles C4'-P-C4' energy: -157.266
flat angles P-C4'-P energy: -96.547
tors. eta vs tors. theta energy: -233.283
Dist. restrs. and SS energy: 5.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -2577.638102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.638102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.953887 (E_RNA)
where:
Base-Base interactions energy: -1809.022
where: short stacking energy: -756.197
Base-Backbone interact. energy: -1.564
local terms energy: -773.367482
where:
bonds (distance) C4'-P energy: -131.090
bonds (distance) P-C4' energy: -138.340
flat angles C4'-P-C4' energy: -164.788
flat angles P-C4'-P energy: -115.634
tors. eta vs tors. theta energy: -223.516
Dist. restrs. and SS energy: 6.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -2420.275221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.275221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.136683 (E_RNA)
where:
Base-Base interactions energy: -1687.854
where: short stacking energy: -692.189
Base-Backbone interact. energy: -2.874
local terms energy: -734.408973
where:
bonds (distance) C4'-P energy: -130.029
bonds (distance) P-C4' energy: -129.616
flat angles C4'-P-C4' energy: -158.685
flat angles P-C4'-P energy: -94.725
tors. eta vs tors. theta energy: -221.353
Dist. restrs. and SS energy: 4.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -2336.651906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.651906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.928556 (E_RNA)
where:
Base-Base interactions energy: -1655.160
where: short stacking energy: -694.496
Base-Backbone interact. energy: -1.853
local terms energy: -688.915227
where:
bonds (distance) C4'-P energy: -117.514
bonds (distance) P-C4' energy: -129.334
flat angles C4'-P-C4' energy: -152.140
flat angles P-C4'-P energy: -89.971
tors. eta vs tors. theta energy: -199.957
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: 1
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -2276.821874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.821874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.133340 (E_RNA)
where:
Base-Base interactions energy: -1598.653
where: short stacking energy: -678.258
Base-Backbone interact. energy: 0.066
local terms energy: -684.546373
where:
bonds (distance) C4'-P energy: -120.265
bonds (distance) P-C4' energy: -125.772
flat angles C4'-P-C4' energy: -142.352
flat angles P-C4'-P energy: -87.697
tors. eta vs tors. theta energy: -208.461
Dist. restrs. and SS energy: 6.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -2212.795825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.795825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.080727 (E_RNA)
where:
Base-Base interactions energy: -1591.678
where: short stacking energy: -633.769
Base-Backbone interact. energy: 1.361
local terms energy: -639.764608
where:
bonds (distance) C4'-P energy: -106.637
bonds (distance) P-C4' energy: -106.126
flat angles C4'-P-C4' energy: -139.262
flat angles P-C4'-P energy: -104.530
tors. eta vs tors. theta energy: -183.210
Dist. restrs. and SS energy: 17.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -2002.155824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.155824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.332763 (E_RNA)
where:
Base-Base interactions energy: -1401.542
where: short stacking energy: -587.148
Base-Backbone interact. energy: 4.811
local terms energy: -619.602302
where:
bonds (distance) C4'-P energy: -107.635
bonds (distance) P-C4' energy: -119.664
flat angles C4'-P-C4' energy: -143.678
flat angles P-C4'-P energy: -78.548
tors. eta vs tors. theta energy: -170.078
Dist. restrs. and SS energy: 14.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -1935.367147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.367147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.010488 (E_RNA)
where:
Base-Base interactions energy: -1386.921
where: short stacking energy: -561.340
Base-Backbone interact. energy: 0.444
local terms energy: -573.533584
where:
bonds (distance) C4'-P energy: -104.908
bonds (distance) P-C4' energy: -119.350
flat angles C4'-P-C4' energy: -124.007
flat angles P-C4'-P energy: -70.655
tors. eta vs tors. theta energy: -154.614
Dist. restrs. and SS energy: 24.643 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -2806.182786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.182786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.505206 (E_RNA)
where:
Base-Base interactions energy: -1964.546
where: short stacking energy: -825.803
Base-Backbone interact. energy: -0.356
local terms energy: -845.602533
where:
bonds (distance) C4'-P energy: -147.314
bonds (distance) P-C4' energy: -152.518
flat angles C4'-P-C4' energy: -165.147
flat angles P-C4'-P energy: -131.428
tors. eta vs tors. theta energy: -249.196
Dist. restrs. and SS energy: 4.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -2750.943368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2750.943368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2754.448383 (E_RNA)
where:
Base-Base interactions energy: -1921.147
where: short stacking energy: -806.625
Base-Backbone interact. energy: -1.744
local terms energy: -831.557153
where:
bonds (distance) C4'-P energy: -149.496
bonds (distance) P-C4' energy: -146.562
flat angles C4'-P-C4' energy: -170.416
flat angles P-C4'-P energy: -121.030
tors. eta vs tors. theta energy: -244.052
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: 3, replica: 2
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -2580.380216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.380216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.619112 (E_RNA)
where:
Base-Base interactions energy: -1818.108
where: short stacking energy: -763.106
Base-Backbone interact. energy: -1.977
local terms energy: -766.533947
where:
bonds (distance) C4'-P energy: -136.367
bonds (distance) P-C4' energy: -146.072
flat angles C4'-P-C4' energy: -158.709
flat angles P-C4'-P energy: -111.694
tors. eta vs tors. theta energy: -213.692
Dist. restrs. and SS energy: 6.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -2564.037822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.037822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.753566 (E_RNA)
where:
Base-Base interactions energy: -1813.150
where: short stacking energy: -763.653
Base-Backbone interact. energy: 0.623
local terms energy: -755.226389
where:
bonds (distance) C4'-P energy: -113.606
bonds (distance) P-C4' energy: -145.278
flat angles C4'-P-C4' energy: -159.989
flat angles P-C4'-P energy: -114.969
tors. eta vs tors. theta energy: -221.384
Dist. restrs. and SS energy: 3.716 (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: 6
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -2417.112844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.112844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.266258 (E_RNA)
where:
Base-Base interactions energy: -1715.450
where: short stacking energy: -746.877
Base-Backbone interact. energy: 0.593
local terms energy: -710.408509
where:
bonds (distance) C4'-P energy: -119.506
bonds (distance) P-C4' energy: -126.022
flat angles C4'-P-C4' energy: -152.474
flat angles P-C4'-P energy: -104.007
tors. eta vs tors. theta energy: -208.400
Dist. restrs. and SS energy: 8.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -2356.309831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.309831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.081290 (E_RNA)
where:
Base-Base interactions energy: -1676.815
where: short stacking energy: -688.123
Base-Backbone interact. energy: -3.355
local terms energy: -689.911127
where:
bonds (distance) C4'-P energy: -124.999
bonds (distance) P-C4' energy: -120.775
flat angles C4'-P-C4' energy: -141.097
flat angles P-C4'-P energy: -104.920
tors. eta vs tors. theta energy: -198.120
Dist. restrs. and SS energy: 13.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -2241.156916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.156916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.860778 (E_RNA)
where:
Base-Base interactions energy: -1577.983
where: short stacking energy: -662.272
Base-Backbone interact. energy: -1.464
local terms energy: -669.414177
where:
bonds (distance) C4'-P energy: -112.054
bonds (distance) P-C4' energy: -129.856
flat angles C4'-P-C4' energy: -146.673
flat angles P-C4'-P energy: -91.529
tors. eta vs tors. theta energy: -189.303
Dist. restrs. and SS energy: 7.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -2161.302957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.302957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.274027 (E_RNA)
where:
Base-Base interactions energy: -1517.862
where: short stacking energy: -604.168
Base-Backbone interact. energy: -4.288
local terms energy: -651.124769
where:
bonds (distance) C4'-P energy: -120.098
bonds (distance) P-C4' energy: -112.758
flat angles C4'-P-C4' energy: -137.485
flat angles P-C4'-P energy: -100.846
tors. eta vs tors. theta energy: -179.938
Dist. restrs. and SS energy: 11.971 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -2062.116464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.116464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.604149 (E_RNA)
where:
Base-Base interactions energy: -1447.939
where: short stacking energy: -605.574
Base-Backbone interact. energy: -1.565
local terms energy: -625.100573
where:
bonds (distance) C4'-P energy: -118.233
bonds (distance) P-C4' energy: -115.734
flat angles C4'-P-C4' energy: -125.629
flat angles P-C4'-P energy: -95.456
tors. eta vs tors. theta energy: -170.049
Dist. restrs. and SS energy: 12.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -1953.575145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.575145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.091067 (E_RNA)
where:
Base-Base interactions energy: -1380.612
where: short stacking energy: -578.151
Base-Backbone interact. energy: -1.735
local terms energy: -594.744105
where:
bonds (distance) C4'-P energy: -97.720
bonds (distance) P-C4' energy: -122.607
flat angles C4'-P-C4' energy: -145.035
flat angles P-C4'-P energy: -77.111
tors. eta vs tors. theta energy: -152.271
Dist. restrs. and SS energy: 23.516 (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: 3
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -2799.681558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.681558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.801368 (E_RNA)
where:
Base-Base interactions energy: -1969.420
where: short stacking energy: -821.874
Base-Backbone interact. energy: -5.841
local terms energy: -828.539968
where:
bonds (distance) C4'-P energy: -140.068
bonds (distance) P-C4' energy: -148.831
flat angles C4'-P-C4' energy: -174.526
flat angles P-C4'-P energy: -113.288
tors. eta vs tors. theta energy: -251.828
Dist. restrs. and SS energy: 4.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -2728.930754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.930754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.283196 (E_RNA)
where:
Base-Base interactions energy: -1923.592
where: short stacking energy: -817.267
Base-Backbone interact. energy: 0.442
local terms energy: -809.133251
where:
bonds (distance) C4'-P energy: -139.201
bonds (distance) P-C4' energy: -133.408
flat angles C4'-P-C4' energy: -167.186
flat angles P-C4'-P energy: -119.331
tors. eta vs tors. theta energy: -250.007
Dist. restrs. and SS energy: 3.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -2622.095309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.095309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.157043 (E_RNA)
where:
Base-Base interactions energy: -1821.016
where: short stacking energy: -783.736
Base-Backbone interact. energy: 1.467
local terms energy: -806.608524
where:
bonds (distance) C4'-P energy: -138.697
bonds (distance) P-C4' energy: -136.642
flat angles C4'-P-C4' energy: -181.789
flat angles P-C4'-P energy: -109.629
tors. eta vs tors. theta energy: -239.851
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: 4, replica: 2
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -2566.437101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.437101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.550810 (E_RNA)
where:
Base-Base interactions energy: -1815.134
where: short stacking energy: -744.207
Base-Backbone interact. energy: -0.291
local terms energy: -754.125576
where:
bonds (distance) C4'-P energy: -127.001
bonds (distance) P-C4' energy: -132.870
flat angles C4'-P-C4' energy: -165.298
flat angles P-C4'-P energy: -102.178
tors. eta vs tors. theta energy: -226.780
Dist. restrs. and SS energy: 3.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -2443.908914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.908914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.404769 (E_RNA)
where:
Base-Base interactions energy: -1703.952
where: short stacking energy: -718.998
Base-Backbone interact. energy: -1.373
local terms energy: -744.079396
where:
bonds (distance) C4'-P energy: -122.803
bonds (distance) P-C4' energy: -136.860
flat angles C4'-P-C4' energy: -153.753
flat angles P-C4'-P energy: -103.958
tors. eta vs tors. theta energy: -226.705
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: 6, replica: 5
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -2311.042926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.042926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.004624 (E_RNA)
where:
Base-Base interactions energy: -1622.897
where: short stacking energy: -665.416
Base-Backbone interact. energy: 0.835
local terms energy: -699.943107
where:
bonds (distance) C4'-P energy: -117.855
bonds (distance) P-C4' energy: -141.694
flat angles C4'-P-C4' energy: -134.217
flat angles P-C4'-P energy: -102.924
tors. eta vs tors. theta energy: -203.254
Dist. restrs. and SS energy: 10.962 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -2270.779381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.779381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.140003 (E_RNA)
where:
Base-Base interactions energy: -1608.954
where: short stacking energy: -683.800
Base-Backbone interact. energy: -1.800
local terms energy: -669.385197
where:
bonds (distance) C4'-P energy: -120.318
bonds (distance) P-C4' energy: -111.735
flat angles C4'-P-C4' energy: -141.693
flat angles P-C4'-P energy: -101.975
tors. eta vs tors. theta energy: -193.665
Dist. restrs. and SS energy: 9.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -2195.917087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.917087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.454819 (E_RNA)
where:
Base-Base interactions energy: -1557.482
where: short stacking energy: -632.115
Base-Backbone interact. energy: -3.751
local terms energy: -651.222035
where:
bonds (distance) C4'-P energy: -140.153
bonds (distance) P-C4' energy: -108.457
flat angles C4'-P-C4' energy: -139.693
flat angles P-C4'-P energy: -83.588
tors. eta vs tors. theta energy: -179.330
Dist. restrs. and SS energy: 16.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -2033.890479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.890479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.635234 (E_RNA)
where:
Base-Base interactions energy: -1455.908
where: short stacking energy: -576.179
Base-Backbone interact. energy: -4.221
local terms energy: -584.506542
where:
bonds (distance) C4'-P energy: -119.781
bonds (distance) P-C4' energy: -93.125
flat angles C4'-P-C4' energy: -126.860
flat angles P-C4'-P energy: -84.065
tors. eta vs tors. theta energy: -160.676
Dist. restrs. and SS energy: 10.745 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -1882.088983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.088983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.196416 (E_RNA)
where:
Base-Base interactions energy: -1359.278
where: short stacking energy: -560.484
Base-Backbone interact. energy: 7.029
local terms energy: -554.947198
where:
bonds (distance) C4'-P energy: -104.342
bonds (distance) P-C4' energy: -107.706
flat angles C4'-P-C4' energy: -120.887
flat angles P-C4'-P energy: -78.755
tors. eta vs tors. theta energy: -143.257
Dist. restrs. and SS energy: 25.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -2822.998471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.998471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.627674 (E_RNA)
where:
Base-Base interactions energy: -1989.560
where: short stacking energy: -841.003
Base-Backbone interact. energy: -1.935
local terms energy: -834.132318
where:
bonds (distance) C4'-P energy: -133.824
bonds (distance) P-C4' energy: -146.322
flat angles C4'-P-C4' energy: -172.585
flat angles P-C4'-P energy: -123.427
tors. eta vs tors. theta energy: -257.974
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: 10
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -2717.025073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.025073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.756495 (E_RNA)
where:
Base-Base interactions energy: -1930.676
where: short stacking energy: -825.817
Base-Backbone interact. energy: -3.227
local terms energy: -788.853722
where:
bonds (distance) C4'-P energy: -125.231
bonds (distance) P-C4' energy: -137.250
flat angles C4'-P-C4' energy: -158.447
flat angles P-C4'-P energy: -113.207
tors. eta vs tors. theta energy: -254.718
Dist. restrs. and SS energy: 5.731 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -2597.128408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.128408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.946798 (E_RNA)
where:
Base-Base interactions energy: -1808.508
where: short stacking energy: -771.640
Base-Backbone interact. energy: -1.273
local terms energy: -790.165720
where:
bonds (distance) C4'-P energy: -124.068
bonds (distance) P-C4' energy: -155.884
flat angles C4'-P-C4' energy: -168.023
flat angles P-C4'-P energy: -116.483
tors. eta vs tors. theta energy: -225.707
Dist. restrs. and SS energy: 2.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -2548.576674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.576674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.186737 (E_RNA)
where:
Base-Base interactions energy: -1787.520
where: short stacking energy: -750.405
Base-Backbone interact. energy: 4.780
local terms energy: -770.446847
where:
bonds (distance) C4'-P energy: -133.759
bonds (distance) P-C4' energy: -144.079
flat angles C4'-P-C4' energy: -146.726
flat angles P-C4'-P energy: -122.829
tors. eta vs tors. theta energy: -223.054
Dist. restrs. and SS energy: 4.610 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -2435.390616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.390616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.200772 (E_RNA)
where:
Base-Base interactions energy: -1695.463
where: short stacking energy: -729.914
Base-Backbone interact. energy: -4.308
local terms energy: -741.430350
where:
bonds (distance) C4'-P energy: -133.378
bonds (distance) P-C4' energy: -129.968
flat angles C4'-P-C4' energy: -155.385
flat angles P-C4'-P energy: -103.721
tors. eta vs tors. theta energy: -218.979
Dist. restrs. and SS energy: 5.810 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -2321.003595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.003595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.416696 (E_RNA)
where:
Base-Base interactions energy: -1615.820
where: short stacking energy: -701.589
Base-Backbone interact. energy: -3.059
local terms energy: -711.537606
where:
bonds (distance) C4'-P energy: -129.817
bonds (distance) P-C4' energy: -132.939
flat angles C4'-P-C4' energy: -146.565
flat angles P-C4'-P energy: -83.764
tors. eta vs tors. theta energy: -218.453
Dist. restrs. and SS energy: 9.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -2282.996651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.996651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.494482 (E_RNA)
where:
Base-Base interactions energy: -1641.914
where: short stacking energy: -690.538
Base-Backbone interact. energy: -1.863
local terms energy: -649.718104
where:
bonds (distance) C4'-P energy: -102.256
bonds (distance) P-C4' energy: -97.787
flat angles C4'-P-C4' energy: -151.737
flat angles P-C4'-P energy: -88.941
tors. eta vs tors. theta energy: -208.998
Dist. restrs. and SS energy: 10.498 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -2198.646057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.646057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.746688 (E_RNA)
where:
Base-Base interactions energy: -1596.608
where: short stacking energy: -659.415
Base-Backbone interact. energy: 1.205
local terms energy: -612.343511
where:
bonds (distance) C4'-P energy: -101.796
bonds (distance) P-C4' energy: -113.579
flat angles C4'-P-C4' energy: -131.872
flat angles P-C4'-P energy: -80.796
tors. eta vs tors. theta energy: -184.300
Dist. restrs. and SS energy: 9.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -2023.223757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.223757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.871620 (E_RNA)
where:
Base-Base interactions energy: -1431.567
where: short stacking energy: -581.468
Base-Backbone interact. energy: -1.265
local terms energy: -603.039859
where:
bonds (distance) C4'-P energy: -103.021
bonds (distance) P-C4' energy: -118.974
flat angles C4'-P-C4' energy: -134.752
flat angles P-C4'-P energy: -94.034
tors. eta vs tors. theta energy: -152.259
Dist. restrs. and SS energy: 12.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -1882.050199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.050199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.641887 (E_RNA)
where:
Base-Base interactions energy: -1352.202
where: short stacking energy: -534.211
Base-Backbone interact. energy: 7.515
local terms energy: -576.954598
where:
bonds (distance) C4'-P energy: -97.130
bonds (distance) P-C4' energy: -113.990
flat angles C4'-P-C4' energy: -121.912
flat angles P-C4'-P energy: -98.030
tors. eta vs tors. theta energy: -145.894
Dist. restrs. and SS energy: 39.592 (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: 3
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -2807.404789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.404789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.185378 (E_RNA)
where:
Base-Base interactions energy: -1963.442
where: short stacking energy: -850.778
Base-Backbone interact. energy: -1.642
local terms energy: -845.101219
where:
bonds (distance) C4'-P energy: -140.088
bonds (distance) P-C4' energy: -135.108
flat angles C4'-P-C4' energy: -185.074
flat angles P-C4'-P energy: -130.236
tors. eta vs tors. theta energy: -254.596
Dist. restrs. and SS energy: 2.781 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -2684.626139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.626139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.697703 (E_RNA)
where:
Base-Base interactions energy: -1899.007
where: short stacking energy: -818.491
Base-Backbone interact. energy: -0.131
local terms energy: -790.558885
where:
bonds (distance) C4'-P energy: -149.069
bonds (distance) P-C4' energy: -131.312
flat angles C4'-P-C4' energy: -166.573
flat angles P-C4'-P energy: -103.651
tors. eta vs tors. theta energy: -239.954
Dist. restrs. and SS energy: 5.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -2639.876692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.876692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.897745 (E_RNA)
where:
Base-Base interactions energy: -1850.498
where: short stacking energy: -796.881
Base-Backbone interact. energy: -4.468
local terms energy: -792.931280
where:
bonds (distance) C4'-P energy: -142.391
bonds (distance) P-C4' energy: -128.935
flat angles C4'-P-C4' energy: -171.104
flat angles P-C4'-P energy: -107.107
tors. eta vs tors. theta energy: -243.395
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: 4, replica: 2
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -2549.492108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.492108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.913706 (E_RNA)
where:
Base-Base interactions energy: -1794.293
where: short stacking energy: -753.316
Base-Backbone interact. energy: -5.749
local terms energy: -754.871543
where:
bonds (distance) C4'-P energy: -134.470
bonds (distance) P-C4' energy: -131.747
flat angles C4'-P-C4' energy: -150.375
flat angles P-C4'-P energy: -98.523
tors. eta vs tors. theta energy: -239.757
Dist. restrs. and SS energy: 5.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -2460.119119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.119119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.427324 (E_RNA)
where:
Base-Base interactions energy: -1744.587
where: short stacking energy: -751.071
Base-Backbone interact. energy: -4.319
local terms energy: -714.521209
where:
bonds (distance) C4'-P energy: -125.105
bonds (distance) P-C4' energy: -123.613
flat angles C4'-P-C4' energy: -151.563
flat angles P-C4'-P energy: -101.969
tors. eta vs tors. theta energy: -212.271
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: 5
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -2369.710344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.710344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.803369 (E_RNA)
where:
Base-Base interactions energy: -1628.771
where: short stacking energy: -726.682
Base-Backbone interact. energy: -0.301
local terms energy: -747.731399
where:
bonds (distance) C4'-P energy: -114.940
bonds (distance) P-C4' energy: -146.233
flat angles C4'-P-C4' energy: -158.962
flat angles P-C4'-P energy: -105.085
tors. eta vs tors. theta energy: -222.511
Dist. restrs. and SS energy: 7.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -2311.134048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.134048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.527806 (E_RNA)
where:
Base-Base interactions energy: -1647.215
where: short stacking energy: -680.830
Base-Backbone interact. energy: 6.379
local terms energy: -680.691896
where:
bonds (distance) C4'-P energy: -118.858
bonds (distance) P-C4' energy: -129.309
flat angles C4'-P-C4' energy: -148.791
flat angles P-C4'-P energy: -91.406
tors. eta vs tors. theta energy: -192.328
Dist. restrs. and SS energy: 10.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -2186.023575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.023575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.896645 (E_RNA)
where:
Base-Base interactions energy: -1546.938
where: short stacking energy: -659.449
Base-Backbone interact. energy: -2.416
local terms energy: -648.542290
where:
bonds (distance) C4'-P energy: -105.310
bonds (distance) P-C4' energy: -121.381
flat angles C4'-P-C4' energy: -139.077
flat angles P-C4'-P energy: -88.601
tors. eta vs tors. theta energy: -194.173
Dist. restrs. and SS energy: 11.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -2047.096578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.096578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.845532 (E_RNA)
where:
Base-Base interactions energy: -1459.488
where: short stacking energy: -597.679
Base-Backbone interact. energy: -1.818
local terms energy: -597.540211
where:
bonds (distance) C4'-P energy: -119.701
bonds (distance) P-C4' energy: -110.309
flat angles C4'-P-C4' energy: -134.106
flat angles P-C4'-P energy: -68.469
tors. eta vs tors. theta energy: -164.955
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: 7
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -1894.554547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.554547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.367541 (E_RNA)
where:
Base-Base interactions energy: -1330.666
where: short stacking energy: -546.060
Base-Backbone interact. energy: 1.026
local terms energy: -587.727172
where:
bonds (distance) C4'-P energy: -116.004
bonds (distance) P-C4' energy: -110.192
flat angles C4'-P-C4' energy: -131.517
flat angles P-C4'-P energy: -85.871
tors. eta vs tors. theta energy: -144.144
Dist. restrs. and SS energy: 22.813 (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: 3
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -2799.321732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.321732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.460872 (E_RNA)
where:
Base-Base interactions energy: -1972.439
where: short stacking energy: -818.165
Base-Backbone interact. energy: 0.169
local terms energy: -829.190308
where:
bonds (distance) C4'-P energy: -143.268
bonds (distance) P-C4' energy: -145.911
flat angles C4'-P-C4' energy: -177.359
flat angles P-C4'-P energy: -110.772
tors. eta vs tors. theta energy: -251.879
Dist. restrs. and SS energy: 2.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -2687.244775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.244775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.540650 (E_RNA)
where:
Base-Base interactions energy: -1879.454
where: short stacking energy: -793.935
Base-Backbone interact. energy: 0.571
local terms energy: -812.657079
where:
bonds (distance) C4'-P energy: -134.777
bonds (distance) P-C4' energy: -149.601
flat angles C4'-P-C4' energy: -164.559
flat angles P-C4'-P energy: -114.298
tors. eta vs tors. theta energy: -249.422
Dist. restrs. and SS energy: 4.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -2623.696558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.696558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.796961 (E_RNA)
where:
Base-Base interactions energy: -1840.192
where: short stacking energy: -779.148
Base-Backbone interact. energy: -3.980
local terms energy: -784.625437
where:
bonds (distance) C4'-P energy: -130.005
bonds (distance) P-C4' energy: -146.282
flat angles C4'-P-C4' energy: -160.341
flat angles P-C4'-P energy: -105.979
tors. eta vs tors. theta energy: -242.018
Dist. restrs. and SS energy: 5.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -2519.535854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.535854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.148726 (E_RNA)
where:
Base-Base interactions energy: -1785.350
where: short stacking energy: -744.022
Base-Backbone interact. energy: -0.916
local terms energy: -738.882453
where:
bonds (distance) C4'-P energy: -141.000
bonds (distance) P-C4' energy: -112.718
flat angles C4'-P-C4' energy: -165.022
flat angles P-C4'-P energy: -93.996
tors. eta vs tors. theta energy: -226.147
Dist. restrs. and SS energy: 5.613 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -2421.838996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.838996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.494594 (E_RNA)
where:
Base-Base interactions energy: -1697.042
where: short stacking energy: -717.951
Base-Backbone interact. energy: -4.662
local terms energy: -723.791017
where:
bonds (distance) C4'-P energy: -111.855
bonds (distance) P-C4' energy: -128.540
flat angles C4'-P-C4' energy: -155.719
flat angles P-C4'-P energy: -112.394
tors. eta vs tors. theta energy: -215.283
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: 6, replica: 5
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -2369.983230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.983230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.442999 (E_RNA)
where:
Base-Base interactions energy: -1668.297
where: short stacking energy: -714.179
Base-Backbone interact. energy: -5.036
local terms energy: -702.109927
where:
bonds (distance) C4'-P energy: -122.046
bonds (distance) P-C4' energy: -133.411
flat angles C4'-P-C4' energy: -149.337
flat angles P-C4'-P energy: -89.768
tors. eta vs tors. theta energy: -207.548
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: 7, replica: 9
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -2250.213852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.213852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.879856 (E_RNA)
where:
Base-Base interactions energy: -1581.899
where: short stacking energy: -657.745
Base-Backbone interact. energy: -0.750
local terms energy: -679.230100
where:
bonds (distance) C4'-P energy: -114.221
bonds (distance) P-C4' energy: -120.045
flat angles C4'-P-C4' energy: -148.660
flat angles P-C4'-P energy: -96.869
tors. eta vs tors. theta energy: -199.435
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: 8, replica: 1
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -2171.486710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.486710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.143904 (E_RNA)
where:
Base-Base interactions energy: -1522.554
where: short stacking energy: -641.951
Base-Backbone interact. energy: -2.988
local terms energy: -658.602607
where:
bonds (distance) C4'-P energy: -106.623
bonds (distance) P-C4' energy: -123.926
flat angles C4'-P-C4' energy: -137.468
flat angles P-C4'-P energy: -95.514
tors. eta vs tors. theta energy: -195.073
Dist. restrs. and SS energy: 12.657 (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: 269
Temperature: 1.300000
Total energy: -2013.737811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.737811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.248242 (E_RNA)
where:
Base-Base interactions energy: -1406.742
where: short stacking energy: -600.591
Base-Backbone interact. energy: -2.748
local terms energy: -619.757939
where:
bonds (distance) C4'-P energy: -107.524
bonds (distance) P-C4' energy: -134.964
flat angles C4'-P-C4' energy: -134.022
flat angles P-C4'-P energy: -73.844
tors. eta vs tors. theta energy: -169.403
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: 7
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -1889.902161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.902161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.446769 (E_RNA)
where:
Base-Base interactions energy: -1304.720
where: short stacking energy: -561.215
Base-Backbone interact. energy: -2.628
local terms energy: -602.098885
where:
bonds (distance) C4'-P energy: -106.777
bonds (distance) P-C4' energy: -118.060
flat angles C4'-P-C4' energy: -133.436
flat angles P-C4'-P energy: -95.490
tors. eta vs tors. theta energy: -148.335
Dist. restrs. and SS energy: 19.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -2795.578971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.578971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.231739 (E_RNA)
where:
Base-Base interactions energy: -1964.223
where: short stacking energy: -822.695
Base-Backbone interact. energy: -6.095
local terms energy: -826.913277
where:
bonds (distance) C4'-P energy: -134.962
bonds (distance) P-C4' energy: -149.391
flat angles C4'-P-C4' energy: -169.657
flat angles P-C4'-P energy: -122.967
tors. eta vs tors. theta energy: -249.937
Dist. restrs. and SS energy: 1.653 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -2746.181667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.181667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.582285 (E_RNA)
where:
Base-Base interactions energy: -1934.520
where: short stacking energy: -814.530
Base-Backbone interact. energy: 0.473
local terms energy: -815.534701
where:
bonds (distance) C4'-P energy: -140.318
bonds (distance) P-C4' energy: -139.098
flat angles C4'-P-C4' energy: -170.716
flat angles P-C4'-P energy: -110.957
tors. eta vs tors. theta energy: -254.445
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: 3, replica: 8
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -2610.697875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.697875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.369020 (E_RNA)
where:
Base-Base interactions energy: -1837.445
where: short stacking energy: -779.786
Base-Backbone interact. energy: -1.079
local terms energy: -777.844760
where:
bonds (distance) C4'-P energy: -142.002
bonds (distance) P-C4' energy: -138.957
flat angles C4'-P-C4' energy: -150.916
flat angles P-C4'-P energy: -107.795
tors. eta vs tors. theta energy: -238.174
Dist. restrs. and SS energy: 5.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -2528.485755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.485755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.463614 (E_RNA)
where:
Base-Base interactions energy: -1825.482
where: short stacking energy: -761.737
Base-Backbone interact. energy: 0.298
local terms energy: -707.278809
where:
bonds (distance) C4'-P energy: -113.601
bonds (distance) P-C4' energy: -112.892
flat angles C4'-P-C4' energy: -152.553
flat angles P-C4'-P energy: -110.202
tors. eta vs tors. theta energy: -218.032
Dist. restrs. and SS energy: 3.978 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -2421.908218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.908218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.537446 (E_RNA)
where:
Base-Base interactions energy: -1702.423
where: short stacking energy: -710.901
Base-Backbone interact. energy: -3.420
local terms energy: -718.694710
where:
bonds (distance) C4'-P energy: -133.176
bonds (distance) P-C4' energy: -132.015
flat angles C4'-P-C4' energy: -165.780
flat angles P-C4'-P energy: -83.703
tors. eta vs tors. theta energy: -204.020
Dist. restrs. and SS energy: 2.629 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -2348.606844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.606844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.220168 (E_RNA)
where:
Base-Base interactions energy: -1645.008
where: short stacking energy: -699.600
Base-Backbone interact. energy: -3.797
local terms energy: -707.415290
where:
bonds (distance) C4'-P energy: -126.114
bonds (distance) P-C4' energy: -125.068
flat angles C4'-P-C4' energy: -135.183
flat angles P-C4'-P energy: -112.500
tors. eta vs tors. theta energy: -208.550
Dist. restrs. and SS energy: 7.613 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -2264.287253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.287253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.348046 (E_RNA)
where:
Base-Base interactions energy: -1600.003
where: short stacking energy: -646.830
Base-Backbone interact. energy: 2.298
local terms energy: -673.642638
where:
bonds (distance) C4'-P energy: -130.259
bonds (distance) P-C4' energy: -144.996
flat angles C4'-P-C4' energy: -128.067
flat angles P-C4'-P energy: -82.967
tors. eta vs tors. theta energy: -187.354
Dist. restrs. and SS energy: 7.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -2179.680023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.680023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.766052 (E_RNA)
where:
Base-Base interactions energy: -1517.985
where: short stacking energy: -650.412
Base-Backbone interact. energy: -1.536
local terms energy: -673.244401
where:
bonds (distance) C4'-P energy: -122.390
bonds (distance) P-C4' energy: -119.114
flat angles C4'-P-C4' energy: -145.051
flat angles P-C4'-P energy: -93.380
tors. eta vs tors. theta energy: -193.308
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: 9, replica: 4
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -2027.272862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.272862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.127490 (E_RNA)
where:
Base-Base interactions energy: -1451.084
where: short stacking energy: -594.590
Base-Backbone interact. energy: 1.926
local terms energy: -592.969486
where:
bonds (distance) C4'-P energy: -111.270
bonds (distance) P-C4' energy: -110.737
flat angles C4'-P-C4' energy: -141.207
flat angles P-C4'-P energy: -70.481
tors. eta vs tors. theta energy: -159.275
Dist. restrs. and SS energy: 14.855 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -1926.814603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.814603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.791761 (E_RNA)
where:
Base-Base interactions energy: -1363.878
where: short stacking energy: -566.254
Base-Backbone interact. energy: 2.061
local terms energy: -594.974932
where:
bonds (distance) C4'-P energy: -115.542
bonds (distance) P-C4' energy: -110.821
flat angles C4'-P-C4' energy: -120.824
flat angles P-C4'-P energy: -85.791
tors. eta vs tors. theta energy: -161.998
Dist. restrs. and SS energy: 29.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -2831.216189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2831.216189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2833.226568 (E_RNA)
where:
Base-Base interactions energy: -1987.698
where: short stacking energy: -849.357
Base-Backbone interact. energy: -6.059
local terms energy: -839.469390
where:
bonds (distance) C4'-P energy: -130.449
bonds (distance) P-C4' energy: -146.322
flat angles C4'-P-C4' energy: -183.965
flat angles P-C4'-P energy: -121.341
tors. eta vs tors. theta energy: -257.391
Dist. restrs. and SS energy: 2.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -2754.377082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.377082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.813147 (E_RNA)
where:
Base-Base interactions energy: -1931.974
where: short stacking energy: -828.765
Base-Backbone interact. energy: -0.976
local terms energy: -824.862977
where:
bonds (distance) C4'-P energy: -127.122
bonds (distance) P-C4' energy: -160.498
flat angles C4'-P-C4' energy: -166.104
flat angles P-C4'-P energy: -118.560
tors. eta vs tors. theta energy: -252.579
Dist. restrs. and SS energy: 3.436 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -2613.383158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.383158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.832936 (E_RNA)
where:
Base-Base interactions energy: -1833.406
where: short stacking energy: -772.515
Base-Backbone interact. energy: -0.699
local terms energy: -782.727570
where:
bonds (distance) C4'-P energy: -143.257
bonds (distance) P-C4' energy: -134.906
flat angles C4'-P-C4' energy: -159.166
flat angles P-C4'-P energy: -114.330
tors. eta vs tors. theta energy: -231.069
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: 4, replica: 2
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -2533.086795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.086795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.730793 (E_RNA)
where:
Base-Base interactions energy: -1794.190
where: short stacking energy: -762.739
Base-Backbone interact. energy: 0.556
local terms energy: -742.096363
where:
bonds (distance) C4'-P energy: -132.414
bonds (distance) P-C4' energy: -129.387
flat angles C4'-P-C4' energy: -155.158
flat angles P-C4'-P energy: -93.584
tors. eta vs tors. theta energy: -231.553
Dist. restrs. and SS energy: 2.644 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -2435.900538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.900538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.373047 (E_RNA)
where:
Base-Base interactions energy: -1749.536
where: short stacking energy: -747.204
Base-Backbone interact. energy: -0.556
local terms energy: -689.280360
where:
bonds (distance) C4'-P energy: -120.921
bonds (distance) P-C4' energy: -122.316
flat angles C4'-P-C4' energy: -129.472
flat angles P-C4'-P energy: -100.474
tors. eta vs tors. theta energy: -216.098
Dist. restrs. and SS energy: 3.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -2330.941999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.941999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.017373 (E_RNA)
where:
Base-Base interactions energy: -1647.969
where: short stacking energy: -691.768
Base-Backbone interact. energy: -1.883
local terms energy: -687.165413
where:
bonds (distance) C4'-P energy: -115.223
bonds (distance) P-C4' energy: -114.919
flat angles C4'-P-C4' energy: -146.227
flat angles P-C4'-P energy: -110.907
tors. eta vs tors. theta energy: -199.889
Dist. restrs. and SS energy: 6.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -2212.461674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.461674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.327374 (E_RNA)
where:
Base-Base interactions energy: -1570.421
where: short stacking energy: -644.394
Base-Backbone interact. energy: -2.488
local terms energy: -653.418626
where:
bonds (distance) C4'-P energy: -132.574
bonds (distance) P-C4' energy: -111.964
flat angles C4'-P-C4' energy: -151.294
flat angles P-C4'-P energy: -81.553
tors. eta vs tors. theta energy: -176.033
Dist. restrs. and SS energy: 13.866 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -2220.780020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.780020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.049276 (E_RNA)
where:
Base-Base interactions energy: -1563.272
where: short stacking energy: -656.733
Base-Backbone interact. energy: 0.160
local terms energy: -667.936951
where:
bonds (distance) C4'-P energy: -113.475
bonds (distance) P-C4' energy: -121.491
flat angles C4'-P-C4' energy: -147.645
flat angles P-C4'-P energy: -90.948
tors. eta vs tors. theta energy: -194.378
Dist. restrs. and SS energy: 10.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -2001.609652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.609652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.437777 (E_RNA)
where:
Base-Base interactions energy: -1412.626
where: short stacking energy: -579.230
Base-Backbone interact. energy: 5.400
local terms energy: -611.211564
where:
bonds (distance) C4'-P energy: -101.784
bonds (distance) P-C4' energy: -125.829
flat angles C4'-P-C4' energy: -134.555
flat angles P-C4'-P energy: -96.147
tors. eta vs tors. theta energy: -152.897
Dist. restrs. and SS energy: 16.828 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -1948.210862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.210862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.828085 (E_RNA)
where:
Base-Base interactions energy: -1371.210
where: short stacking energy: -601.262
Base-Backbone interact. energy: 0.870
local terms energy: -599.488415
where:
bonds (distance) C4'-P energy: -118.556
bonds (distance) P-C4' energy: -101.543
flat angles C4'-P-C4' energy: -127.483
flat angles P-C4'-P energy: -90.332
tors. eta vs tors. theta energy: -161.575
Dist. restrs. and SS energy: 21.617 (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: 3
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -2796.601703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.601703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.663534 (E_RNA)
where:
Base-Base interactions energy: -1954.468
where: short stacking energy: -814.095
Base-Backbone interact. energy: -1.796
local terms energy: -841.399629
where:
bonds (distance) C4'-P energy: -149.500
bonds (distance) P-C4' energy: -152.849
flat angles C4'-P-C4' energy: -164.069
flat angles P-C4'-P energy: -128.478
tors. eta vs tors. theta energy: -246.504
Dist. restrs. and SS energy: 1.062 (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: 10
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -2733.862936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.862936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.833589 (E_RNA)
where:
Base-Base interactions energy: -1916.028
where: short stacking energy: -826.014
Base-Backbone interact. energy: 2.893
local terms energy: -825.698678
where:
bonds (distance) C4'-P energy: -140.859
bonds (distance) P-C4' energy: -142.119
flat angles C4'-P-C4' energy: -175.592
flat angles P-C4'-P energy: -114.414
tors. eta vs tors. theta energy: -252.716
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: 2
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -2607.880670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.880670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.843634 (E_RNA)
where:
Base-Base interactions energy: -1816.589
where: short stacking energy: -754.288
Base-Backbone interact. energy: -0.616
local terms energy: -795.638735
where:
bonds (distance) C4'-P energy: -126.531
bonds (distance) P-C4' energy: -156.359
flat angles C4'-P-C4' energy: -168.529
flat angles P-C4'-P energy: -116.081
tors. eta vs tors. theta energy: -228.140
Dist. restrs. and SS energy: 4.963 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -2566.235068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.235068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.951170 (E_RNA)
where:
Base-Base interactions energy: -1778.747
where: short stacking energy: -753.177
Base-Backbone interact. energy: -3.852
local terms energy: -788.352771
where:
bonds (distance) C4'-P energy: -136.593
bonds (distance) P-C4' energy: -153.224
flat angles C4'-P-C4' energy: -147.181
flat angles P-C4'-P energy: -125.119
tors. eta vs tors. theta energy: -226.235
Dist. restrs. and SS energy: 4.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -2430.647473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.647473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.054667 (E_RNA)
where:
Base-Base interactions energy: -1736.364
where: short stacking energy: -748.926
Base-Backbone interact. energy: -3.207
local terms energy: -695.483589
where:
bonds (distance) C4'-P energy: -117.643
bonds (distance) P-C4' energy: -120.912
flat angles C4'-P-C4' energy: -154.942
flat angles P-C4'-P energy: -96.401
tors. eta vs tors. theta energy: -205.586
Dist. restrs. and SS energy: 4.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -2373.467792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.467792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.907260 (E_RNA)
where:
Base-Base interactions energy: -1706.776
where: short stacking energy: -727.659
Base-Backbone interact. energy: -0.961
local terms energy: -671.169464
where:
bonds (distance) C4'-P energy: -94.957
bonds (distance) P-C4' energy: -133.779
flat angles C4'-P-C4' energy: -142.532
flat angles P-C4'-P energy: -97.533
tors. eta vs tors. theta energy: -202.369
Dist. restrs. and SS energy: 5.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -2286.506149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.506149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.376185 (E_RNA)
where:
Base-Base interactions energy: -1628.442
where: short stacking energy: -668.935
Base-Backbone interact. energy: -1.355
local terms energy: -666.578909
where:
bonds (distance) C4'-P energy: -109.700
bonds (distance) P-C4' energy: -122.178
flat angles C4'-P-C4' energy: -137.263
flat angles P-C4'-P energy: -92.878
tors. eta vs tors. theta energy: -204.560
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: 8, replica: 1
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -2148.728561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.728561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.588451 (E_RNA)
where:
Base-Base interactions energy: -1499.749
where: short stacking energy: -595.540
Base-Backbone interact. energy: 1.161
local terms energy: -663.000207
where:
bonds (distance) C4'-P energy: -125.749
bonds (distance) P-C4' energy: -122.534
flat angles C4'-P-C4' energy: -150.038
flat angles P-C4'-P energy: -78.982
tors. eta vs tors. theta energy: -185.697
Dist. restrs. and SS energy: 12.860 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -2015.434032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.434032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.639611 (E_RNA)
where:
Base-Base interactions energy: -1436.908
where: short stacking energy: -591.030
Base-Backbone interact. energy: 5.842
local terms energy: -599.574254
where:
bonds (distance) C4'-P energy: -116.934
bonds (distance) P-C4' energy: -118.166
flat angles C4'-P-C4' energy: -132.142
flat angles P-C4'-P energy: -67.391
tors. eta vs tors. theta energy: -164.941
Dist. restrs. and SS energy: 15.206 (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: 7
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -1893.061048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.061048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.760624 (E_RNA)
where:
Base-Base interactions energy: -1369.433
where: short stacking energy: -562.021
Base-Backbone interact. energy: -3.693
local terms energy: -548.634358
where:
bonds (distance) C4'-P energy: -108.480
bonds (distance) P-C4' energy: -102.954
flat angles C4'-P-C4' energy: -121.067
flat angles P-C4'-P energy: -68.528
tors. eta vs tors. theta energy: -147.605
Dist. restrs. and SS energy: 28.700 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -2792.455015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2792.455015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.273009 (E_RNA)
where:
Base-Base interactions energy: -1966.271
where: short stacking energy: -823.942
Base-Backbone interact. energy: -4.641
local terms energy: -823.361906
where:
bonds (distance) C4'-P energy: -152.227
bonds (distance) P-C4' energy: -139.518
flat angles C4'-P-C4' energy: -170.347
flat angles P-C4'-P energy: -122.757
tors. eta vs tors. theta energy: -238.514
Dist. restrs. and SS energy: 1.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -2691.864071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.864071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.177735 (E_RNA)
where:
Base-Base interactions energy: -1897.361
where: short stacking energy: -833.132
Base-Backbone interact. energy: -1.984
local terms energy: -794.832140
where:
bonds (distance) C4'-P energy: -137.555
bonds (distance) P-C4' energy: -137.050
flat angles C4'-P-C4' energy: -171.350
flat angles P-C4'-P energy: -109.237
tors. eta vs tors. theta energy: -239.640
Dist. restrs. and SS energy: 2.314 (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: 2
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -2619.518981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.518981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.705445 (E_RNA)
where:
Base-Base interactions energy: -1835.062
where: short stacking energy: -786.370
Base-Backbone interact. energy: 0.502
local terms energy: -789.145155
where:
bonds (distance) C4'-P energy: -124.836
bonds (distance) P-C4' energy: -146.986
flat angles C4'-P-C4' energy: -166.345
flat angles P-C4'-P energy: -119.138
tors. eta vs tors. theta energy: -231.841
Dist. restrs. and SS energy: 4.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -2550.953295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.953295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.199067 (E_RNA)
where:
Base-Base interactions energy: -1795.231
where: short stacking energy: -767.609
Base-Backbone interact. energy: -3.168
local terms energy: -757.800144
where:
bonds (distance) C4'-P energy: -121.718
bonds (distance) P-C4' energy: -137.966
flat angles C4'-P-C4' energy: -161.323
flat angles P-C4'-P energy: -103.781
tors. eta vs tors. theta energy: -233.012
Dist. restrs. and SS energy: 5.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -2433.263524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.263524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.180344 (E_RNA)
where:
Base-Base interactions energy: -1714.941
where: short stacking energy: -721.413
Base-Backbone interact. energy: -4.671
local terms energy: -717.568078
where:
bonds (distance) C4'-P energy: -124.208
bonds (distance) P-C4' energy: -134.656
flat angles C4'-P-C4' energy: -146.393
flat angles P-C4'-P energy: -100.019
tors. eta vs tors. theta energy: -212.292
Dist. restrs. and SS energy: 3.917 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -2329.601672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.601672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.150034 (E_RNA)
where:
Base-Base interactions energy: -1661.241
where: short stacking energy: -697.370
Base-Backbone interact. energy: 1.465
local terms energy: -678.374262
where:
bonds (distance) C4'-P energy: -122.954
bonds (distance) P-C4' energy: -117.088
flat angles C4'-P-C4' energy: -150.148
flat angles P-C4'-P energy: -88.481
tors. eta vs tors. theta energy: -199.703
Dist. restrs. and SS energy: 8.548 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -2258.372678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.372678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.046842 (E_RNA)
where:
Base-Base interactions energy: -1572.009
where: short stacking energy: -646.608
Base-Backbone interact. energy: -2.865
local terms energy: -696.173072
where:
bonds (distance) C4'-P energy: -132.917
bonds (distance) P-C4' energy: -121.723
flat angles C4'-P-C4' energy: -145.545
flat angles P-C4'-P energy: -110.665
tors. eta vs tors. theta energy: -185.324
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: 8, replica: 1
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -2168.750217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.750217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.611105 (E_RNA)
where:
Base-Base interactions energy: -1557.994
where: short stacking energy: -644.764
Base-Backbone interact. energy: -1.109
local terms energy: -624.508736
where:
bonds (distance) C4'-P energy: -107.423
bonds (distance) P-C4' energy: -106.494
flat angles C4'-P-C4' energy: -134.869
flat angles P-C4'-P energy: -89.044
tors. eta vs tors. theta energy: -186.679
Dist. restrs. and SS energy: 14.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -2071.427425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.427425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.766144 (E_RNA)
where:
Base-Base interactions energy: -1465.802
where: short stacking energy: -588.727
Base-Backbone interact. energy: -3.231
local terms energy: -615.733173
where:
bonds (distance) C4'-P energy: -112.028
bonds (distance) P-C4' energy: -123.470
flat angles C4'-P-C4' energy: -132.205
flat angles P-C4'-P energy: -77.375
tors. eta vs tors. theta energy: -170.655
Dist. restrs. and SS energy: 13.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -1952.857544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.857544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.353676 (E_RNA)
where:
Base-Base interactions energy: -1417.073
where: short stacking energy: -569.483
Base-Backbone interact. energy: 0.298
local terms energy: -555.578685
where:
bonds (distance) C4'-P energy: -109.866
bonds (distance) P-C4' energy: -104.008
flat angles C4'-P-C4' energy: -142.845
flat angles P-C4'-P energy: -50.425
tors. eta vs tors. theta energy: -148.436
Dist. restrs. and SS energy: 19.496 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -2793.051288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.051288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.706094 (E_RNA)
where:
Base-Base interactions energy: -1954.895
where: short stacking energy: -832.125
Base-Backbone interact. energy: -2.169
local terms energy: -839.642099
where:
bonds (distance) C4'-P energy: -147.852
bonds (distance) P-C4' energy: -144.647
flat angles C4'-P-C4' energy: -171.462
flat angles P-C4'-P energy: -121.252
tors. eta vs tors. theta energy: -254.429
Dist. restrs. and SS energy: 3.655 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -2726.522028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.522028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.090590 (E_RNA)
where:
Base-Base interactions energy: -1924.129
where: short stacking energy: -795.705
Base-Backbone interact. energy: 0.953
local terms energy: -804.914284
where:
bonds (distance) C4'-P energy: -139.731
bonds (distance) P-C4' energy: -138.756
flat angles C4'-P-C4' energy: -172.702
flat angles P-C4'-P energy: -107.029
tors. eta vs tors. theta energy: -246.696
Dist. restrs. and SS energy: 1.569 (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: 2
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -2591.839615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.839615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.484093 (E_RNA)
where:
Base-Base interactions energy: -1832.268
where: short stacking energy: -765.069
Base-Backbone interact. energy: -2.319
local terms energy: -761.897347
where:
bonds (distance) C4'-P energy: -131.621
bonds (distance) P-C4' energy: -131.159
flat angles C4'-P-C4' energy: -154.837
flat angles P-C4'-P energy: -109.443
tors. eta vs tors. theta energy: -234.838
Dist. restrs. and SS energy: 4.644 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -2576.934621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.934621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.154188 (E_RNA)
where:
Base-Base interactions energy: -1807.334
where: short stacking energy: -761.868
Base-Backbone interact. energy: -1.452
local terms energy: -773.368222
where:
bonds (distance) C4'-P energy: -141.496
bonds (distance) P-C4' energy: -134.308
flat angles C4'-P-C4' energy: -157.131
flat angles P-C4'-P energy: -110.154
tors. eta vs tors. theta energy: -230.279
Dist. restrs. and SS energy: 5.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -2423.046224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.046224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.462535 (E_RNA)
where:
Base-Base interactions energy: -1677.659
where: short stacking energy: -679.722
Base-Backbone interact. energy: -4.644
local terms energy: -744.159233
where:
bonds (distance) C4'-P energy: -134.748
bonds (distance) P-C4' energy: -130.070
flat angles C4'-P-C4' energy: -167.167
flat angles P-C4'-P energy: -99.839
tors. eta vs tors. theta energy: -212.334
Dist. restrs. and SS energy: 3.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -2354.497628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.497628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.782686 (E_RNA)
where:
Base-Base interactions energy: -1659.120
where: short stacking energy: -692.579
Base-Backbone interact. energy: -1.765
local terms energy: -697.897027
where:
bonds (distance) C4'-P energy: -102.677
bonds (distance) P-C4' energy: -128.597
flat angles C4'-P-C4' energy: -163.082
flat angles P-C4'-P energy: -96.852
tors. eta vs tors. theta energy: -206.689
Dist. restrs. and SS energy: 4.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -2303.814524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.814524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.865492 (E_RNA)
where:
Base-Base interactions energy: -1619.389
where: short stacking energy: -661.940
Base-Backbone interact. energy: 2.396
local terms energy: -693.872527
where:
bonds (distance) C4'-P energy: -137.698
bonds (distance) P-C4' energy: -113.804
flat angles C4'-P-C4' energy: -139.712
flat angles P-C4'-P energy: -96.722
tors. eta vs tors. theta energy: -205.937
Dist. restrs. and SS energy: 7.051 (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: 1
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -2187.508044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.508044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.064074 (E_RNA)
where:
Base-Base interactions energy: -1549.527
where: short stacking energy: -647.805
Base-Backbone interact. energy: -0.411
local terms energy: -645.126060
where:
bonds (distance) C4'-P energy: -121.580
bonds (distance) P-C4' energy: -108.408
flat angles C4'-P-C4' energy: -134.774
flat angles P-C4'-P energy: -92.307
tors. eta vs tors. theta energy: -188.057
Dist. restrs. and SS energy: 7.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -2060.919454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.919454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.899024 (E_RNA)
where:
Base-Base interactions energy: -1476.373
where: short stacking energy: -608.974
Base-Backbone interact. energy: -3.852
local terms energy: -594.674316
where:
bonds (distance) C4'-P energy: -110.137
bonds (distance) P-C4' energy: -128.386
flat angles C4'-P-C4' energy: -125.388
flat angles P-C4'-P energy: -67.880
tors. eta vs tors. theta energy: -162.884
Dist. restrs. and SS energy: 13.980 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -1844.262636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.262636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.770449 (E_RNA)
where:
Base-Base interactions energy: -1309.526
where: short stacking energy: -567.166
Base-Backbone interact. energy: 3.558
local terms energy: -578.802643
where:
bonds (distance) C4'-P energy: -96.073
bonds (distance) P-C4' energy: -121.533
flat angles C4'-P-C4' energy: -129.554
flat angles P-C4'-P energy: -81.792
tors. eta vs tors. theta energy: -149.851
Dist. restrs. and SS energy: 40.508 (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: 10
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -2774.930478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.930478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.995902 (E_RNA)
where:
Base-Base interactions energy: -1936.295
where: short stacking energy: -828.810
Base-Backbone interact. energy: -2.384
local terms energy: -838.317421
where:
bonds (distance) C4'-P energy: -141.096
bonds (distance) P-C4' energy: -134.260
flat angles C4'-P-C4' energy: -180.870
flat angles P-C4'-P energy: -124.584
tors. eta vs tors. theta energy: -257.507
Dist. restrs. and SS energy: 2.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -2728.574858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.574858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.135848 (E_RNA)
where:
Base-Base interactions energy: -1918.752
where: short stacking energy: -827.427
Base-Backbone interact. energy: -2.033
local terms energy: -810.350720
where:
bonds (distance) C4'-P energy: -135.775
bonds (distance) P-C4' energy: -138.435
flat angles C4'-P-C4' energy: -171.447
flat angles P-C4'-P energy: -110.217
tors. eta vs tors. theta energy: -254.477
Dist. restrs. and SS energy: 2.561 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -2607.272357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.272357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.220934 (E_RNA)
where:
Base-Base interactions energy: -1856.792
where: short stacking energy: -773.822
Base-Backbone interact. energy: -3.218
local terms energy: -754.210902
where:
bonds (distance) C4'-P energy: -114.628
bonds (distance) P-C4' energy: -138.129
flat angles C4'-P-C4' energy: -155.173
flat angles P-C4'-P energy: -116.793
tors. eta vs tors. theta energy: -229.488
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: 4, replica: 8
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -2553.894617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.894617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.765070 (E_RNA)
where:
Base-Base interactions energy: -1791.758
where: short stacking energy: -765.226
Base-Backbone interact. energy: -3.533
local terms energy: -765.473935
where:
bonds (distance) C4'-P energy: -136.964
bonds (distance) P-C4' energy: -124.183
flat angles C4'-P-C4' energy: -162.877
flat angles P-C4'-P energy: -110.311
tors. eta vs tors. theta energy: -231.140
Dist. restrs. and SS energy: 6.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -2383.555831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.555831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.268232 (E_RNA)
where:
Base-Base interactions energy: -1668.963
where: short stacking energy: -705.081
Base-Backbone interact. energy: -3.203
local terms energy: -717.101649
where:
bonds (distance) C4'-P energy: -126.238
bonds (distance) P-C4' energy: -140.173
flat angles C4'-P-C4' energy: -156.581
flat angles P-C4'-P energy: -104.587
tors. eta vs tors. theta energy: -189.523
Dist. restrs. and SS energy: 5.712 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -2328.885442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.885442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.521406 (E_RNA)
where:
Base-Base interactions energy: -1626.949
where: short stacking energy: -653.939
Base-Backbone interact. energy: 5.176
local terms energy: -715.748898
where:
bonds (distance) C4'-P energy: -134.186
bonds (distance) P-C4' energy: -136.649
flat angles C4'-P-C4' energy: -153.731
flat angles P-C4'-P energy: -103.316
tors. eta vs tors. theta energy: -187.866
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: 7, replica: 6
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -2340.582383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.582383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.837270 (E_RNA)
where:
Base-Base interactions energy: -1649.072
where: short stacking energy: -686.027
Base-Backbone interact. energy: -2.822
local terms energy: -697.942925
where:
bonds (distance) C4'-P energy: -112.483
bonds (distance) P-C4' energy: -131.012
flat angles C4'-P-C4' energy: -152.735
flat angles P-C4'-P energy: -94.882
tors. eta vs tors. theta energy: -206.831
Dist. restrs. and SS energy: 9.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -2207.420367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.420367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.753377 (E_RNA)
where:
Base-Base interactions energy: -1530.228
where: short stacking energy: -654.688
Base-Backbone interact. energy: -1.845
local terms energy: -687.680395
where:
bonds (distance) C4'-P energy: -116.939
bonds (distance) P-C4' energy: -128.265
flat angles C4'-P-C4' energy: -154.967
flat angles P-C4'-P energy: -87.189
tors. eta vs tors. theta energy: -200.321
Dist. restrs. and SS energy: 12.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -2069.728042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.728042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.923666 (E_RNA)
where:
Base-Base interactions energy: -1482.052
where: short stacking energy: -577.998
Base-Backbone interact. energy: 4.407
local terms energy: -602.278770
where:
bonds (distance) C4'-P energy: -119.026
bonds (distance) P-C4' energy: -110.039
flat angles C4'-P-C4' energy: -122.175
flat angles P-C4'-P energy: -87.100
tors. eta vs tors. theta energy: -163.939
Dist. restrs. and SS energy: 10.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -1847.090092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.090092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.207751 (E_RNA)
where:
Base-Base interactions energy: -1302.647
where: short stacking energy: -504.388
Base-Backbone interact. energy: -2.026
local terms energy: -566.534208
where:
bonds (distance) C4'-P energy: -101.968
bonds (distance) P-C4' energy: -119.461
flat angles C4'-P-C4' energy: -129.352
flat angles P-C4'-P energy: -68.425
tors. eta vs tors. theta energy: -147.328
Dist. restrs. and SS energy: 24.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -2769.240664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.240664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2773.856525 (E_RNA)
where:
Base-Base interactions energy: -1935.946
where: short stacking energy: -841.752
Base-Backbone interact. energy: -3.546
local terms energy: -834.365205
where:
bonds (distance) C4'-P energy: -136.115
bonds (distance) P-C4' energy: -146.094
flat angles C4'-P-C4' energy: -176.258
flat angles P-C4'-P energy: -125.510
tors. eta vs tors. theta energy: -250.388
Dist. restrs. and SS energy: 4.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -2742.161773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.161773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.373064 (E_RNA)
where:
Base-Base interactions energy: -1926.408
where: short stacking energy: -822.084
Base-Backbone interact. energy: -1.872
local terms energy: -818.092719
where:
bonds (distance) C4'-P energy: -128.448
bonds (distance) P-C4' energy: -145.153
flat angles C4'-P-C4' energy: -174.593
flat angles P-C4'-P energy: -118.823
tors. eta vs tors. theta energy: -251.075
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: 3, replica: 8
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -2630.294497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.294497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.777768 (E_RNA)
where:
Base-Base interactions energy: -1855.871
where: short stacking energy: -777.934
Base-Backbone interact. energy: -3.933
local terms energy: -773.973096
where:
bonds (distance) C4'-P energy: -129.969
bonds (distance) P-C4' energy: -137.117
flat angles C4'-P-C4' energy: -158.702
flat angles P-C4'-P energy: -117.072
tors. eta vs tors. theta energy: -231.114
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: 4, replica: 2
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -2537.926150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.926150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.641963 (E_RNA)
where:
Base-Base interactions energy: -1796.332
where: short stacking energy: -767.853
Base-Backbone interact. energy: -0.018
local terms energy: -746.292145
where:
bonds (distance) C4'-P energy: -132.235
bonds (distance) P-C4' energy: -123.589
flat angles C4'-P-C4' energy: -166.206
flat angles P-C4'-P energy: -100.949
tors. eta vs tors. theta energy: -223.313
Dist. restrs. and SS energy: 4.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -2428.255521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.255521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.209268 (E_RNA)
where:
Base-Base interactions energy: -1731.354
where: short stacking energy: -739.986
Base-Backbone interact. energy: 1.530
local terms energy: -704.385629
where:
bonds (distance) C4'-P energy: -127.871
bonds (distance) P-C4' energy: -127.394
flat angles C4'-P-C4' energy: -135.597
flat angles P-C4'-P energy: -105.443
tors. eta vs tors. theta energy: -208.080
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: 9
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -2315.615310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.615310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.583310 (E_RNA)
where:
Base-Base interactions energy: -1662.353
where: short stacking energy: -693.867
Base-Backbone interact. energy: -3.225
local terms energy: -663.005519
where:
bonds (distance) C4'-P energy: -126.136
bonds (distance) P-C4' energy: -103.889
flat angles C4'-P-C4' energy: -142.322
flat angles P-C4'-P energy: -85.201
tors. eta vs tors. theta energy: -205.458
Dist. restrs. and SS energy: 12.968 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -2298.757840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.757840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.691077 (E_RNA)
where:
Base-Base interactions energy: -1626.998
where: short stacking energy: -663.504
Base-Backbone interact. energy: 3.889
local terms energy: -678.581523
where:
bonds (distance) C4'-P energy: -125.783
bonds (distance) P-C4' energy: -119.141
flat angles C4'-P-C4' energy: -140.279
flat angles P-C4'-P energy: -91.781
tors. eta vs tors. theta energy: -201.598
Dist. restrs. and SS energy: 2.933 (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: 1
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -2294.807765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.807765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.417194 (E_RNA)
where:
Base-Base interactions energy: -1625.357
where: short stacking energy: -672.449
Base-Backbone interact. energy: -3.089
local terms energy: -676.971884
where:
bonds (distance) C4'-P energy: -118.545
bonds (distance) P-C4' energy: -125.444
flat angles C4'-P-C4' energy: -140.064
flat angles P-C4'-P energy: -92.757
tors. eta vs tors. theta energy: -200.162
Dist. restrs. and SS energy: 10.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -2056.937577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.937577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.199279 (E_RNA)
where:
Base-Base interactions energy: -1438.892
where: short stacking energy: -602.986
Base-Backbone interact. energy: 2.702
local terms energy: -631.009570
where:
bonds (distance) C4'-P energy: -92.231
bonds (distance) P-C4' energy: -130.677
flat angles C4'-P-C4' energy: -134.333
flat angles P-C4'-P energy: -97.249
tors. eta vs tors. theta energy: -176.519
Dist. restrs. and SS energy: 10.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -1883.284176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.284176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.228108 (E_RNA)
where:
Base-Base interactions energy: -1364.127
where: short stacking energy: -569.261
Base-Backbone interact. energy: 0.228
local terms energy: -544.328466
where:
bonds (distance) C4'-P energy: -95.189
bonds (distance) P-C4' energy: -105.439
flat angles C4'-P-C4' energy: -117.404
flat angles P-C4'-P energy: -77.958
tors. eta vs tors. theta energy: -148.340
Dist. restrs. and SS energy: 24.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -2774.453431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.453431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.336529 (E_RNA)
where:
Base-Base interactions energy: -1922.293
where: short stacking energy: -837.435
Base-Backbone interact. energy: -2.943
local terms energy: -852.101455
where:
bonds (distance) C4'-P energy: -140.036
bonds (distance) P-C4' energy: -149.174
flat angles C4'-P-C4' energy: -181.059
flat angles P-C4'-P energy: -119.990
tors. eta vs tors. theta energy: -261.843
Dist. restrs. and SS energy: 2.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -2744.659606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2744.659606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.770045 (E_RNA)
where:
Base-Base interactions energy: -1909.814
where: short stacking energy: -794.341
Base-Backbone interact. energy: -0.608
local terms energy: -837.347832
where:
bonds (distance) C4'-P energy: -138.439
bonds (distance) P-C4' energy: -169.094
flat angles C4'-P-C4' energy: -163.407
flat angles P-C4'-P energy: -116.011
tors. eta vs tors. theta energy: -250.397
Dist. restrs. and SS energy: 3.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -2627.419439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.419439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.717945 (E_RNA)
where:
Base-Base interactions energy: -1834.249
where: short stacking energy: -787.965
Base-Backbone interact. energy: -4.275
local terms energy: -791.193696
where:
bonds (distance) C4'-P energy: -139.690
bonds (distance) P-C4' energy: -140.956
flat angles C4'-P-C4' energy: -165.271
flat angles P-C4'-P energy: -112.498
tors. eta vs tors. theta energy: -232.778
Dist. restrs. and SS energy: 2.299 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -2537.261079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.261079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.251505 (E_RNA)
where:
Base-Base interactions energy: -1757.615
where: short stacking energy: -756.724
Base-Backbone interact. energy: -2.944
local terms energy: -782.692889
where:
bonds (distance) C4'-P energy: -139.944
bonds (distance) P-C4' energy: -132.887
flat angles C4'-P-C4' energy: -159.584
flat angles P-C4'-P energy: -118.116
tors. eta vs tors. theta energy: -232.162
Dist. restrs. and SS energy: 5.990 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -2428.087971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.087971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.737227 (E_RNA)
where:
Base-Base interactions energy: -1705.970
where: short stacking energy: -727.129
Base-Backbone interact. energy: -1.414
local terms energy: -726.353369
where:
bonds (distance) C4'-P energy: -146.109
bonds (distance) P-C4' energy: -131.226
flat angles C4'-P-C4' energy: -162.406
flat angles P-C4'-P energy: -83.830
tors. eta vs tors. theta energy: -202.782
Dist. restrs. and SS energy: 5.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -2283.675474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.675474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.647178 (E_RNA)
where:
Base-Base interactions energy: -1629.777
where: short stacking energy: -684.967
Base-Backbone interact. energy: 0.166
local terms energy: -662.036199
where:
bonds (distance) C4'-P energy: -111.268
bonds (distance) P-C4' energy: -115.330
flat angles C4'-P-C4' energy: -150.163
flat angles P-C4'-P energy: -86.161
tors. eta vs tors. theta energy: -199.114
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: 6
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -2286.671012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.671012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.015132 (E_RNA)
where:
Base-Base interactions energy: -1603.624
where: short stacking energy: -694.226
Base-Backbone interact. energy: -1.598
local terms energy: -695.793590
where:
bonds (distance) C4'-P energy: -111.744
bonds (distance) P-C4' energy: -134.271
flat angles C4'-P-C4' energy: -146.360
flat angles P-C4'-P energy: -101.867
tors. eta vs tors. theta energy: -201.551
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: 8, replica: 1
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -2222.376733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.376733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.536005 (E_RNA)
where:
Base-Base interactions energy: -1594.103
where: short stacking energy: -677.779
Base-Backbone interact. energy: 0.691
local terms energy: -638.124551
where:
bonds (distance) C4'-P energy: -116.165
bonds (distance) P-C4' energy: -100.813
flat angles C4'-P-C4' energy: -148.279
flat angles P-C4'-P energy: -91.165
tors. eta vs tors. theta energy: -181.702
Dist. restrs. and SS energy: 9.159 (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: 277
Temperature: 1.300000
Total energy: -2041.761357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.761357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.355001 (E_RNA)
where:
Base-Base interactions energy: -1416.928
where: short stacking energy: -583.407
Base-Backbone interact. energy: 1.220
local terms energy: -637.647653
where:
bonds (distance) C4'-P energy: -129.062
bonds (distance) P-C4' energy: -132.569
flat angles C4'-P-C4' energy: -128.387
flat angles P-C4'-P energy: -88.526
tors. eta vs tors. theta energy: -159.104
Dist. restrs. and SS energy: 11.594 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -1915.808034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.808034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.907164 (E_RNA)
where:
Base-Base interactions energy: -1340.919
where: short stacking energy: -555.247
Base-Backbone interact. energy: -1.176
local terms energy: -602.812160
where:
bonds (distance) C4'-P energy: -135.405
bonds (distance) P-C4' energy: -116.458
flat angles C4'-P-C4' energy: -116.728
flat angles P-C4'-P energy: -79.140
tors. eta vs tors. theta energy: -155.081
Dist. restrs. and SS energy: 29.099 (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: 10
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -2763.506569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2763.506569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2765.790807 (E_RNA)
where:
Base-Base interactions energy: -1949.488
where: short stacking energy: -836.594
Base-Backbone interact. energy: -2.241
local terms energy: -814.061326
where:
bonds (distance) C4'-P energy: -138.344
bonds (distance) P-C4' energy: -144.828
flat angles C4'-P-C4' energy: -165.930
flat angles P-C4'-P energy: -111.505
tors. eta vs tors. theta energy: -253.454
Dist. restrs. and SS energy: 2.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -2752.871474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2752.871474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2755.278604 (E_RNA)
where:
Base-Base interactions energy: -1937.670
where: short stacking energy: -814.253
Base-Backbone interact. energy: -8.052
local terms energy: -809.556657
where:
bonds (distance) C4'-P energy: -131.229
bonds (distance) P-C4' energy: -146.648
flat angles C4'-P-C4' energy: -165.186
flat angles P-C4'-P energy: -124.318
tors. eta vs tors. theta energy: -242.176
Dist. restrs. and SS energy: 2.407 (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: 278
Temperature: 1.000000
Total energy: -2631.933621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.933621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.440007 (E_RNA)
where:
Base-Base interactions energy: -1839.136
where: short stacking energy: -774.211
Base-Backbone interact. energy: -1.443
local terms energy: -794.860882
where:
bonds (distance) C4'-P energy: -148.411
bonds (distance) P-C4' energy: -134.787
flat angles C4'-P-C4' energy: -164.085
flat angles P-C4'-P energy: -109.181
tors. eta vs tors. theta energy: -238.397
Dist. restrs. and SS energy: 3.506 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -2508.905270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.905270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.421879 (E_RNA)
where:
Base-Base interactions energy: -1766.993
where: short stacking energy: -759.235
Base-Backbone interact. energy: 1.802
local terms energy: -750.231130
where:
bonds (distance) C4'-P energy: -123.452
bonds (distance) P-C4' energy: -131.980
flat angles C4'-P-C4' energy: -156.289
flat angles P-C4'-P energy: -110.552
tors. eta vs tors. theta energy: -227.958
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: 5, replica: 5
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -2445.538142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.538142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.455287 (E_RNA)
where:
Base-Base interactions energy: -1717.587
where: short stacking energy: -703.109
Base-Backbone interact. energy: -1.665
local terms energy: -729.203507
where:
bonds (distance) C4'-P energy: -130.692
bonds (distance) P-C4' energy: -132.883
flat angles C4'-P-C4' energy: -144.764
flat angles P-C4'-P energy: -108.580
tors. eta vs tors. theta energy: -212.285
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: 6, replica: 9
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -2315.734396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.734396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.870340 (E_RNA)
where:
Base-Base interactions energy: -1652.621
where: short stacking energy: -698.191
Base-Backbone interact. energy: 0.257
local terms energy: -675.505965
where:
bonds (distance) C4'-P energy: -116.921
bonds (distance) P-C4' energy: -128.417
flat angles C4'-P-C4' energy: -147.743
flat angles P-C4'-P energy: -74.716
tors. eta vs tors. theta energy: -207.709
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: 7, replica: 6
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -2316.685153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.685153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.372656 (E_RNA)
where:
Base-Base interactions energy: -1621.867
where: short stacking energy: -665.636
Base-Backbone interact. energy: 1.847
local terms energy: -701.353159
where:
bonds (distance) C4'-P energy: -117.252
bonds (distance) P-C4' energy: -128.283
flat angles C4'-P-C4' energy: -154.080
flat angles P-C4'-P energy: -89.868
tors. eta vs tors. theta energy: -211.871
Dist. restrs. and SS energy: 4.688 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -2252.276829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.276829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.708100 (E_RNA)
where:
Base-Base interactions energy: -1600.170
where: short stacking energy: -653.008
Base-Backbone interact. energy: -1.702
local terms energy: -657.835984
where:
bonds (distance) C4'-P energy: -104.587
bonds (distance) P-C4' energy: -118.127
flat angles C4'-P-C4' energy: -149.975
flat angles P-C4'-P energy: -96.215
tors. eta vs tors. theta energy: -188.932
Dist. restrs. and SS energy: 7.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -1993.947474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.947474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.265404 (E_RNA)
where:
Base-Base interactions energy: -1411.640
where: short stacking energy: -571.210
Base-Backbone interact. energy: -2.379
local terms energy: -589.246742
where:
bonds (distance) C4'-P energy: -114.531
bonds (distance) P-C4' energy: -108.850
flat angles C4'-P-C4' energy: -123.332
flat angles P-C4'-P energy: -71.969
tors. eta vs tors. theta energy: -170.565
Dist. restrs. and SS energy: 9.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -1934.825334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.825334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.660567 (E_RNA)
where:
Base-Base interactions energy: -1341.078
where: short stacking energy: -546.172
Base-Backbone interact. energy: 1.585
local terms energy: -620.167515
where:
bonds (distance) C4'-P energy: -113.864
bonds (distance) P-C4' energy: -119.724
flat angles C4'-P-C4' energy: -131.612
flat angles P-C4'-P energy: -94.053
tors. eta vs tors. theta energy: -160.914
Dist. restrs. and SS energy: 24.835 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -2815.183044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2815.183044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.868502 (E_RNA)
where:
Base-Base interactions energy: -1984.052
where: short stacking energy: -852.037
Base-Backbone interact. energy: -1.307
local terms energy: -832.509652
where:
bonds (distance) C4'-P energy: -146.583
bonds (distance) P-C4' energy: -157.896
flat angles C4'-P-C4' energy: -162.123
flat angles P-C4'-P energy: -110.397
tors. eta vs tors. theta energy: -255.511
Dist. restrs. and SS energy: 2.685 (S_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: 279
Temperature: 0.950000
Total energy: -2759.622609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.622609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.585338 (E_RNA)
where:
Base-Base interactions energy: -1942.177
where: short stacking energy: -799.269
Base-Backbone interact. energy: 0.331
local terms energy: -820.739223
where:
bonds (distance) C4'-P energy: -153.252
bonds (distance) P-C4' energy: -135.533
flat angles C4'-P-C4' energy: -169.529
flat angles P-C4'-P energy: -113.843
tors. eta vs tors. theta energy: -248.582
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: 8
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -2613.566363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.566363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.953035 (E_RNA)
where:
Base-Base interactions energy: -1827.628
where: short stacking energy: -767.936
Base-Backbone interact. energy: -2.178
local terms energy: -788.146637
where:
bonds (distance) C4'-P energy: -136.159
bonds (distance) P-C4' energy: -157.285
flat angles C4'-P-C4' energy: -155.808
flat angles P-C4'-P energy: -108.562
tors. eta vs tors. theta energy: -230.332
Dist. restrs. and SS energy: 4.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -2505.725100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.725100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.692736 (E_RNA)
where:
Base-Base interactions energy: -1772.981
where: short stacking energy: -762.276
Base-Backbone interact. energy: -0.242
local terms energy: -737.469239
where:
bonds (distance) C4'-P energy: -125.672
bonds (distance) P-C4' energy: -146.389
flat angles C4'-P-C4' energy: -144.510
flat angles P-C4'-P energy: -105.682
tors. eta vs tors. theta energy: -215.216
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: 5
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -2432.424091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.424091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.695871 (E_RNA)
where:
Base-Base interactions energy: -1694.206
where: short stacking energy: -699.291
Base-Backbone interact. energy: -3.439
local terms energy: -742.050372
where:
bonds (distance) C4'-P energy: -128.100
bonds (distance) P-C4' energy: -137.013
flat angles C4'-P-C4' energy: -161.631
flat angles P-C4'-P energy: -102.428
tors. eta vs tors. theta energy: -212.878
Dist. restrs. and SS energy: 7.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -2343.780848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.780848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.479507 (E_RNA)
where:
Base-Base interactions energy: -1652.111
where: short stacking energy: -710.864
Base-Backbone interact. energy: -0.863
local terms energy: -704.505399
where:
bonds (distance) C4'-P energy: -129.391
bonds (distance) P-C4' energy: -109.479
flat angles C4'-P-C4' energy: -152.234
flat angles P-C4'-P energy: -104.856
tors. eta vs tors. theta energy: -208.546
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: 6
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -2318.577917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.577917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.930861 (E_RNA)
where:
Base-Base interactions energy: -1635.976
where: short stacking energy: -680.779
Base-Backbone interact. energy: -3.091
local terms energy: -685.863072
where:
bonds (distance) C4'-P energy: -91.786
bonds (distance) P-C4' energy: -138.204
flat angles C4'-P-C4' energy: -151.244
flat angles P-C4'-P energy: -97.141
tors. eta vs tors. theta energy: -207.489
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: 8, replica: 1
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -2261.248753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.248753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.052403 (E_RNA)
where:
Base-Base interactions energy: -1577.623
where: short stacking energy: -671.348
Base-Backbone interact. energy: -3.811
local terms energy: -686.618942
where:
bonds (distance) C4'-P energy: -124.620
bonds (distance) P-C4' energy: -102.446
flat angles C4'-P-C4' energy: -134.163
flat angles P-C4'-P energy: -112.162
tors. eta vs tors. theta energy: -213.228
Dist. restrs. and SS energy: 6.804 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -2089.668415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.668415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.289100 (E_RNA)
where:
Base-Base interactions energy: -1499.271
where: short stacking energy: -638.008
Base-Backbone interact. energy: 1.069
local terms energy: -609.087003
where:
bonds (distance) C4'-P energy: -111.066
bonds (distance) P-C4' energy: -111.658
flat angles C4'-P-C4' energy: -142.452
flat angles P-C4'-P energy: -78.358
tors. eta vs tors. theta energy: -165.553
Dist. restrs. and SS energy: 17.621 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -1940.719508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.719508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.892784 (E_RNA)
where:
Base-Base interactions energy: -1357.095
where: short stacking energy: -571.950
Base-Backbone interact. energy: -0.164
local terms energy: -601.633585
where:
bonds (distance) C4'-P energy: -88.277
bonds (distance) P-C4' energy: -110.137
flat angles C4'-P-C4' energy: -133.711
flat angles P-C4'-P energy: -91.807
tors. eta vs tors. theta energy: -177.701
Dist. restrs. and SS energy: 18.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -2817.873715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.873715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.566230 (E_RNA)
where:
Base-Base interactions energy: -1991.219
where: short stacking energy: -834.530
Base-Backbone interact. energy: 0.627
local terms energy: -830.973881
where:
bonds (distance) C4'-P energy: -144.453
bonds (distance) P-C4' energy: -140.287
flat angles C4'-P-C4' energy: -178.139
flat angles P-C4'-P energy: -119.827
tors. eta vs tors. theta energy: -248.268
Dist. restrs. and SS energy: 3.693 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -2705.609775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.609775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.416480 (E_RNA)
where:
Base-Base interactions energy: -1874.987
where: short stacking energy: -812.226
Base-Backbone interact. energy: -2.075
local terms energy: -832.354689
where:
bonds (distance) C4'-P energy: -150.413
bonds (distance) P-C4' energy: -153.846
flat angles C4'-P-C4' energy: -163.487
flat angles P-C4'-P energy: -110.868
tors. eta vs tors. theta energy: -253.740
Dist. restrs. and SS energy: 3.807 (S_DIST_RNA)
chem. 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: -2615.028803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.028803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.731581 (E_RNA)
where:
Base-Base interactions energy: -1816.895
where: short stacking energy: -753.244
Base-Backbone interact. energy: -3.510
local terms energy: -798.326825
where:
bonds (distance) C4'-P energy: -146.723
bonds (distance) P-C4' energy: -145.956
flat angles C4'-P-C4' energy: -169.115
flat angles P-C4'-P energy: -110.538
tors. eta vs tors. theta energy: -225.994
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: 2
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -2529.203248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.203248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.467689 (E_RNA)
where:
Base-Base interactions energy: -1748.951
where: short stacking energy: -749.547
Base-Backbone interact. energy: -3.716
local terms energy: -780.801236
where:
bonds (distance) C4'-P energy: -139.174
bonds (distance) P-C4' energy: -136.931
flat angles C4'-P-C4' energy: -163.282
flat angles P-C4'-P energy: -106.708
tors. eta vs tors. theta energy: -234.706
Dist. restrs. and SS energy: 4.264 (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: 5
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -2451.982329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.982329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.700607 (E_RNA)
where:
Base-Base interactions energy: -1726.760
where: short stacking energy: -722.169
Base-Backbone interact. energy: -3.298
local terms energy: -725.642923
where:
bonds (distance) C4'-P energy: -125.138
bonds (distance) P-C4' energy: -142.133
flat angles C4'-P-C4' energy: -153.061
flat angles P-C4'-P energy: -90.221
tors. eta vs tors. theta energy: -215.089
Dist. restrs. and SS energy: 3.718 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -2309.733908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.733908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.393632 (E_RNA)
where:
Base-Base interactions energy: -1623.813
where: short stacking energy: -691.440
Base-Backbone interact. energy: 0.128
local terms energy: -697.709000
where:
bonds (distance) C4'-P energy: -115.728
bonds (distance) P-C4' energy: -127.816
flat angles C4'-P-C4' energy: -158.109
flat angles P-C4'-P energy: -91.949
tors. eta vs tors. theta energy: -204.107
Dist. restrs. and SS energy: 11.660 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -2276.999901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.999901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.293189 (E_RNA)
where:
Base-Base interactions energy: -1608.310
where: short stacking energy: -673.336
Base-Backbone interact. energy: -3.252
local terms energy: -672.730889
where:
bonds (distance) C4'-P energy: -121.875
bonds (distance) P-C4' energy: -125.698
flat angles C4'-P-C4' energy: -138.570
flat angles P-C4'-P energy: -90.817
tors. eta vs tors. theta energy: -195.770
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: 8, replica: 1
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -2219.328439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.328439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.523938 (E_RNA)
where:
Base-Base interactions energy: -1560.612
where: short stacking energy: -655.860
Base-Backbone interact. energy: -1.384
local terms energy: -670.527706
where:
bonds (distance) C4'-P energy: -95.390
bonds (distance) P-C4' energy: -137.311
flat angles C4'-P-C4' energy: -144.365
flat angles P-C4'-P energy: -94.406
tors. eta vs tors. theta energy: -199.056
Dist. restrs. and SS energy: 13.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -2099.464639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.464639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.029377 (E_RNA)
where:
Base-Base interactions energy: -1489.185
where: short stacking energy: -620.919
Base-Backbone interact. energy: 4.698
local terms energy: -621.542509
where:
bonds (distance) C4'-P energy: -124.964
bonds (distance) P-C4' energy: -105.442
flat angles C4'-P-C4' energy: -142.159
flat angles P-C4'-P energy: -76.945
tors. eta vs tors. theta energy: -172.031
Dist. restrs. and SS energy: 6.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -1923.775604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.775604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.782832 (E_RNA)
where:
Base-Base interactions energy: -1377.337
where: short stacking energy: -586.825
Base-Backbone interact. energy: -2.158
local terms energy: -576.286967
where:
bonds (distance) C4'-P energy: -91.801
bonds (distance) P-C4' energy: -109.834
flat angles C4'-P-C4' energy: -132.222
flat angles P-C4'-P energy: -80.305
tors. eta vs tors. theta energy: -162.125
Dist. restrs. and SS energy: 32.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -2818.755665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.755665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2820.768355 (E_RNA)
where:
Base-Base interactions energy: -1982.049
where: short stacking energy: -835.077
Base-Backbone interact. energy: -2.688
local terms energy: -836.031288
where:
bonds (distance) C4'-P energy: -136.812
bonds (distance) P-C4' energy: -152.230
flat angles C4'-P-C4' energy: -170.889
flat angles P-C4'-P energy: -126.304
tors. eta vs tors. theta energy: -249.796
Dist. restrs. and SS energy: 2.013 (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: 8
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -2659.065070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.065070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.262207 (E_RNA)
where:
Base-Base interactions energy: -1850.368
where: short stacking energy: -790.968
Base-Backbone interact. energy: -5.117
local terms energy: -809.776338
where:
bonds (distance) C4'-P energy: -141.253
bonds (distance) P-C4' energy: -137.335
flat angles C4'-P-C4' energy: -173.738
flat angles P-C4'-P energy: -121.524
tors. eta vs tors. theta energy: -235.925
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: 3, replica: 10
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -2651.477006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.477006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.299653 (E_RNA)
where:
Base-Base interactions energy: -1850.504
where: short stacking energy: -786.956
Base-Backbone interact. energy: -1.628
local terms energy: -804.168211
where:
bonds (distance) C4'-P energy: -145.248
bonds (distance) P-C4' energy: -142.332
flat angles C4'-P-C4' energy: -157.671
flat angles P-C4'-P energy: -110.921
tors. eta vs tors. theta energy: -247.996
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: 4, replica: 2
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -2522.369322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.369322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.731321 (E_RNA)
where:
Base-Base interactions energy: -1748.405
where: short stacking energy: -747.090
Base-Backbone interact. energy: 1.401
local terms energy: -782.727557
where:
bonds (distance) C4'-P energy: -146.745
bonds (distance) P-C4' energy: -141.808
flat angles C4'-P-C4' energy: -159.949
flat angles P-C4'-P energy: -109.565
tors. eta vs tors. theta energy: -224.661
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: 5, replica: 5
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -2422.933140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.933140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.677565 (E_RNA)
where:
Base-Base interactions energy: -1679.918
where: short stacking energy: -719.578
Base-Backbone interact. energy: -0.279
local terms energy: -746.480819
where:
bonds (distance) C4'-P energy: -136.359
bonds (distance) P-C4' energy: -132.779
flat angles C4'-P-C4' energy: -162.189
flat angles P-C4'-P energy: -98.844
tors. eta vs tors. theta energy: -216.309
Dist. restrs. and SS energy: 3.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -2324.857070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.857070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.761189 (E_RNA)
where:
Base-Base interactions energy: -1625.731
where: short stacking energy: -685.819
Base-Backbone interact. energy: -1.785
local terms energy: -709.245464
where:
bonds (distance) C4'-P energy: -114.960
bonds (distance) P-C4' energy: -134.492
flat angles C4'-P-C4' energy: -153.956
flat angles P-C4'-P energy: -94.675
tors. eta vs tors. theta energy: -211.163
Dist. restrs. and SS energy: 11.904 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -2297.492343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.492343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.011796 (E_RNA)
where:
Base-Base interactions energy: -1635.743
where: short stacking energy: -687.526
Base-Backbone interact. energy: -2.768
local terms energy: -665.501001
where:
bonds (distance) C4'-P energy: -117.653
bonds (distance) P-C4' energy: -128.346
flat angles C4'-P-C4' energy: -143.506
flat angles P-C4'-P energy: -82.171
tors. eta vs tors. theta energy: -193.825
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: 8, replica: 4
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -2140.280623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.280623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.578635 (E_RNA)
where:
Base-Base interactions energy: -1513.054
where: short stacking energy: -619.442
Base-Backbone interact. energy: -2.296
local terms energy: -636.228788
where:
bonds (distance) C4'-P energy: -114.167
bonds (distance) P-C4' energy: -142.745
flat angles C4'-P-C4' energy: -130.657
flat angles P-C4'-P energy: -92.375
tors. eta vs tors. theta energy: -156.286
Dist. restrs. and SS energy: 11.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -2148.823955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.823955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.220852 (E_RNA)
where:
Base-Base interactions energy: -1518.697
where: short stacking energy: -629.054
Base-Backbone interact. energy: -2.529
local terms energy: -637.994950
where:
bonds (distance) C4'-P energy: -108.799
bonds (distance) P-C4' energy: -126.668
flat angles C4'-P-C4' energy: -127.126
flat angles P-C4'-P energy: -75.445
tors. eta vs tors. theta energy: -199.957
Dist. restrs. and SS energy: 10.397 (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: 7
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -1893.050224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.050224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.971116 (E_RNA)
where:
Base-Base interactions energy: -1328.377
where: short stacking energy: -547.948
Base-Backbone interact. energy: 0.703
local terms energy: -593.297162
where:
bonds (distance) C4'-P energy: -115.613
bonds (distance) P-C4' energy: -117.839
flat angles C4'-P-C4' energy: -131.633
flat angles P-C4'-P energy: -73.608
tors. eta vs tors. theta energy: -154.605
Dist. restrs. and SS energy: 27.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -2787.877261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.877261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.198765 (E_RNA)
where:
Base-Base interactions energy: -1957.903
where: short stacking energy: -804.524
Base-Backbone interact. energy: -0.649
local terms energy: -833.646464
where:
bonds (distance) C4'-P energy: -157.128
bonds (distance) P-C4' energy: -136.168
flat angles C4'-P-C4' energy: -180.354
flat angles P-C4'-P energy: -117.593
tors. eta vs tors. theta energy: -242.403
Dist. restrs. and SS energy: 4.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -2671.625465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.625465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.477769 (E_RNA)
where:
Base-Base interactions energy: -1872.418
where: short stacking energy: -818.241
Base-Backbone interact. energy: -2.357
local terms energy: -804.703081
where:
bonds (distance) C4'-P energy: -129.683
bonds (distance) P-C4' energy: -147.175
flat angles C4'-P-C4' energy: -168.146
flat angles P-C4'-P energy: -112.594
tors. eta vs tors. theta energy: -247.105
Dist. restrs. and SS energy: 7.852 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -2643.357937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.357937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.777604 (E_RNA)
where:
Base-Base interactions energy: -1853.499
where: short stacking energy: -798.279
Base-Backbone interact. energy: -1.109
local terms energy: -794.169159
where:
bonds (distance) C4'-P energy: -129.054
bonds (distance) P-C4' energy: -130.986
flat angles C4'-P-C4' energy: -165.376
flat angles P-C4'-P energy: -109.504
tors. eta vs tors. theta energy: -259.249
Dist. restrs. and SS energy: 5.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -2557.471172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.471172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.502367 (E_RNA)
where:
Base-Base interactions energy: -1807.530
where: short stacking energy: -759.204
Base-Backbone interact. energy: 2.652
local terms energy: -755.624557
where:
bonds (distance) C4'-P energy: -120.772
bonds (distance) P-C4' energy: -131.314
flat angles C4'-P-C4' energy: -162.802
flat angles P-C4'-P energy: -111.378
tors. eta vs tors. theta energy: -229.358
Dist. restrs. and SS energy: 3.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -2440.336185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.336185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.539870 (E_RNA)
where:
Base-Base interactions energy: -1698.409
where: short stacking energy: -695.433
Base-Backbone interact. energy: -2.061
local terms energy: -742.069752
where:
bonds (distance) C4'-P energy: -139.521
bonds (distance) P-C4' energy: -142.505
flat angles C4'-P-C4' energy: -150.318
flat angles P-C4'-P energy: -87.661
tors. eta vs tors. theta energy: -222.064
Dist. restrs. and SS energy: 2.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -2357.763230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.763230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.089477 (E_RNA)
where:
Base-Base interactions energy: -1656.610
where: short stacking energy: -692.431
Base-Backbone interact. energy: -0.395
local terms energy: -715.084207
where:
bonds (distance) C4'-P energy: -123.521
bonds (distance) P-C4' energy: -133.666
flat angles C4'-P-C4' energy: -152.186
flat angles P-C4'-P energy: -99.935
tors. eta vs tors. theta energy: -205.777
Dist. restrs. and SS energy: 14.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -2306.146161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.146161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.971357 (E_RNA)
where:
Base-Base interactions energy: -1633.996
where: short stacking energy: -673.260
Base-Backbone interact. energy: -1.588
local terms energy: -675.387880
where:
bonds (distance) C4'-P energy: -121.698
bonds (distance) P-C4' energy: -131.877
flat angles C4'-P-C4' energy: -144.031
flat angles P-C4'-P energy: -83.072
tors. eta vs tors. theta energy: -194.710
Dist. restrs. and SS energy: 4.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -2131.425423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.425423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.743294 (E_RNA)
where:
Base-Base interactions energy: -1496.992
where: short stacking energy: -622.844
Base-Backbone interact. energy: -0.460
local terms energy: -640.291214
where:
bonds (distance) C4'-P energy: -116.749
bonds (distance) P-C4' energy: -111.945
flat angles C4'-P-C4' energy: -140.460
flat angles P-C4'-P energy: -93.923
tors. eta vs tors. theta energy: -177.213
Dist. restrs. and SS energy: 6.318 (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: 282
Temperature: 1.300000
Total energy: -2151.753912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.753912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.730092 (E_RNA)
where:
Base-Base interactions energy: -1549.362
where: short stacking energy: -618.581
Base-Backbone interact. energy: -3.365
local terms energy: -613.002583
where:
bonds (distance) C4'-P energy: -105.305
bonds (distance) P-C4' energy: -110.394
flat angles C4'-P-C4' energy: -137.652
flat angles P-C4'-P energy: -68.315
tors. eta vs tors. theta energy: -191.337
Dist. restrs. and SS energy: 13.976 (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: 7
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -1858.105577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.105577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.218462 (E_RNA)
where:
Base-Base interactions energy: -1306.810
where: short stacking energy: -517.573
Base-Backbone interact. energy: -2.289
local terms energy: -572.119706
where:
bonds (distance) C4'-P energy: -110.629
bonds (distance) P-C4' energy: -130.657
flat angles C4'-P-C4' energy: -119.685
flat angles P-C4'-P energy: -76.406
tors. eta vs tors. theta energy: -134.743
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: 1, replica: 3
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -2801.069067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2801.069067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.226620 (E_RNA)
where:
Base-Base interactions energy: -1977.171
where: short stacking energy: -817.891
Base-Backbone interact. energy: -4.655
local terms energy: -822.400635
where:
bonds (distance) C4'-P energy: -140.395
bonds (distance) P-C4' energy: -146.421
flat angles C4'-P-C4' energy: -180.620
flat angles P-C4'-P energy: -113.131
tors. eta vs tors. theta energy: -241.834
Dist. restrs. and SS energy: 3.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -2682.221040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.221040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.467277 (E_RNA)
where:
Base-Base interactions energy: -1897.071
where: short stacking energy: -806.155
Base-Backbone interact. energy: -4.309
local terms energy: -788.087039
where:
bonds (distance) C4'-P energy: -118.162
bonds (distance) P-C4' energy: -150.618
flat angles C4'-P-C4' energy: -168.722
flat angles P-C4'-P energy: -115.731
tors. eta vs tors. theta energy: -234.855
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: 10
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -2642.668652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.668652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.047379 (E_RNA)
where:
Base-Base interactions energy: -1847.780
where: short stacking energy: -790.093
Base-Backbone interact. energy: -2.292
local terms energy: -796.975682
where:
bonds (distance) C4'-P energy: -133.330
bonds (distance) P-C4' energy: -161.950
flat angles C4'-P-C4' energy: -161.702
flat angles P-C4'-P energy: -94.163
tors. eta vs tors. theta energy: -245.831
Dist. restrs. and SS energy: 4.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -2510.813453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.813453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.190319 (E_RNA)
where:
Base-Base interactions energy: -1752.156
where: short stacking energy: -731.447
Base-Backbone interact. energy: -3.155
local terms energy: -758.878708
where:
bonds (distance) C4'-P energy: -138.480
bonds (distance) P-C4' energy: -137.589
flat angles C4'-P-C4' energy: -164.149
flat angles P-C4'-P energy: -110.566
tors. eta vs tors. theta energy: -208.094
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: 5, replica: 5
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -2460.319411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.319411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.814609 (E_RNA)
where:
Base-Base interactions energy: -1715.165
where: short stacking energy: -714.255
Base-Backbone interact. energy: 0.127
local terms energy: -748.777113
where:
bonds (distance) C4'-P energy: -145.437
bonds (distance) P-C4' energy: -127.273
flat angles C4'-P-C4' energy: -162.305
flat angles P-C4'-P energy: -100.708
tors. eta vs tors. theta energy: -213.055
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: 6, replica: 9
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -2411.656603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.656603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.460599 (E_RNA)
where:
Base-Base interactions energy: -1713.720
where: short stacking energy: -700.686
Base-Backbone interact. energy: -2.578
local terms energy: -706.163165
where:
bonds (distance) C4'-P energy: -109.141
bonds (distance) P-C4' energy: -123.005
flat angles C4'-P-C4' energy: -157.359
flat angles P-C4'-P energy: -96.559
tors. eta vs tors. theta energy: -220.098
Dist. restrs. and SS energy: 10.804 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -2335.422215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.422215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.874200 (E_RNA)
where:
Base-Base interactions energy: -1657.695
where: short stacking energy: -691.236
Base-Backbone interact. energy: -1.681
local terms energy: -678.497727
where:
bonds (distance) C4'-P energy: -114.721
bonds (distance) P-C4' energy: -108.195
flat angles C4'-P-C4' energy: -155.134
flat angles P-C4'-P energy: -95.541
tors. eta vs tors. theta energy: -204.907
Dist. restrs. and SS energy: 2.452 (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: 4
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -2155.469462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.469462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.941021 (E_RNA)
where:
Base-Base interactions energy: -1539.133
where: short stacking energy: -631.122
Base-Backbone interact. energy: 2.235
local terms energy: -627.043472
where:
bonds (distance) C4'-P energy: -110.282
bonds (distance) P-C4' energy: -140.646
flat angles C4'-P-C4' energy: -116.021
flat angles P-C4'-P energy: -88.219
tors. eta vs tors. theta energy: -171.876
Dist. restrs. and SS energy: 8.472 (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: 283
Temperature: 1.300000
Total energy: -2173.380772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.380772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.843504 (E_RNA)
where:
Base-Base interactions energy: -1535.625
where: short stacking energy: -641.089
Base-Backbone interact. energy: 0.347
local terms energy: -651.565495
where:
bonds (distance) C4'-P energy: -91.076
bonds (distance) P-C4' energy: -135.158
flat angles C4'-P-C4' energy: -159.834
flat angles P-C4'-P energy: -81.398
tors. eta vs tors. theta energy: -184.100
Dist. restrs. and SS energy: 13.463 (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: 7
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -1874.986725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.986725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.595041 (E_RNA)
where:
Base-Base interactions energy: -1342.741
where: short stacking energy: -560.050
Base-Backbone interact. energy: 1.571
local terms energy: -561.424933
where:
bonds (distance) C4'-P energy: -102.783
bonds (distance) P-C4' energy: -109.212
flat angles C4'-P-C4' energy: -124.961
flat angles P-C4'-P energy: -84.757
tors. eta vs tors. theta energy: -139.713
Dist. restrs. and SS energy: 27.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -2810.635741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.635741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.836744 (E_RNA)
where:
Base-Base interactions energy: -1981.674
where: short stacking energy: -816.778
Base-Backbone interact. energy: -6.686
local terms energy: -825.476499
where:
bonds (distance) C4'-P energy: -140.418
bonds (distance) P-C4' energy: -140.115
flat angles C4'-P-C4' energy: -169.216
flat angles P-C4'-P energy: -125.040
tors. eta vs tors. theta energy: -250.687
Dist. restrs. and SS energy: 3.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -2696.754809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.754809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.277628 (E_RNA)
where:
Base-Base interactions energy: -1899.815
where: short stacking energy: -796.805
Base-Backbone interact. energy: -0.918
local terms energy: -801.544573
where:
bonds (distance) C4'-P energy: -131.017
bonds (distance) P-C4' energy: -130.582
flat angles C4'-P-C4' energy: -165.758
flat angles P-C4'-P energy: -131.708
tors. eta vs tors. theta energy: -242.480
Dist. restrs. and SS energy: 5.523 (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: 10
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -2628.134023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.134023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.800993 (E_RNA)
where:
Base-Base interactions energy: -1821.312
where: short stacking energy: -778.446
Base-Backbone interact. energy: -1.482
local terms energy: -809.007370
where:
bonds (distance) C4'-P energy: -141.633
bonds (distance) P-C4' energy: -135.354
flat angles C4'-P-C4' energy: -162.111
flat angles P-C4'-P energy: -126.386
tors. eta vs tors. theta energy: -243.523
Dist. restrs. and SS energy: 3.667 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -2549.834534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.834534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.501127 (E_RNA)
where:
Base-Base interactions energy: -1813.821
where: short stacking energy: -740.400
Base-Backbone interact. energy: -1.227
local terms energy: -739.453302
where:
bonds (distance) C4'-P energy: -120.119
bonds (distance) P-C4' energy: -138.011
flat angles C4'-P-C4' energy: -154.890
flat angles P-C4'-P energy: -106.362
tors. eta vs tors. theta energy: -220.072
Dist. restrs. and SS energy: 4.667 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -2418.222269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.222269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.793898 (E_RNA)
where:
Base-Base interactions energy: -1717.060
where: short stacking energy: -716.818
Base-Backbone interact. energy: -0.545
local terms energy: -704.188470
where:
bonds (distance) C4'-P energy: -110.780
bonds (distance) P-C4' energy: -134.082
flat angles C4'-P-C4' energy: -144.525
flat angles P-C4'-P energy: -104.114
tors. eta vs tors. theta energy: -210.688
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: 6, replica: 9
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -2333.108917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.108917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.902628 (E_RNA)
where:
Base-Base interactions energy: -1626.682
where: short stacking energy: -689.904
Base-Backbone interact. energy: -3.968
local terms energy: -715.252682
where:
bonds (distance) C4'-P energy: -122.276
bonds (distance) P-C4' energy: -135.424
flat angles C4'-P-C4' energy: -149.471
flat angles P-C4'-P energy: -97.977
tors. eta vs tors. theta energy: -210.105
Dist. restrs. and SS energy: 12.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -2252.870148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.870148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.389925 (E_RNA)
where:
Base-Base interactions energy: -1587.960
where: short stacking energy: -680.039
Base-Backbone interact. energy: 3.522
local terms energy: -678.952417
where:
bonds (distance) C4'-P energy: -112.419
bonds (distance) P-C4' energy: -115.214
flat angles C4'-P-C4' energy: -157.889
flat angles P-C4'-P energy: -86.416
tors. eta vs tors. theta energy: -207.014
Dist. restrs. and SS energy: 10.520 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -2172.289145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.289145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.327077 (E_RNA)
where:
Base-Base interactions energy: -1533.063
where: short stacking energy: -644.125
Base-Backbone interact. energy: -3.523
local terms energy: -643.741644
where:
bonds (distance) C4'-P energy: -119.591
bonds (distance) P-C4' energy: -110.229
flat angles C4'-P-C4' energy: -137.292
flat angles P-C4'-P energy: -90.705
tors. eta vs tors. theta energy: -185.924
Dist. restrs. and SS energy: 8.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -2208.839619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.839619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.545426 (E_RNA)
where:
Base-Base interactions energy: -1581.650
where: short stacking energy: -676.040
Base-Backbone interact. energy: -1.557
local terms energy: -635.338360
where:
bonds (distance) C4'-P energy: -99.439
bonds (distance) P-C4' energy: -101.809
flat angles C4'-P-C4' energy: -145.879
flat angles P-C4'-P energy: -77.027
tors. eta vs tors. theta energy: -211.184
Dist. restrs. and SS energy: 9.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -1855.825796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.825796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.945095 (E_RNA)
where:
Base-Base interactions energy: -1272.989
where: short stacking energy: -528.336
Base-Backbone interact. energy: -0.834
local terms energy: -617.122105
where:
bonds (distance) C4'-P energy: -120.545
bonds (distance) P-C4' energy: -119.430
flat angles C4'-P-C4' energy: -139.570
flat angles P-C4'-P energy: -91.930
tors. eta vs tors. theta energy: -145.647
Dist. restrs. and SS energy: 35.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -2814.617713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.617713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.451161 (E_RNA)
where:
Base-Base interactions energy: -1978.207
where: short stacking energy: -819.849
Base-Backbone interact. energy: -2.775
local terms energy: -836.468433
where:
bonds (distance) C4'-P energy: -153.243
bonds (distance) P-C4' energy: -150.815
flat angles C4'-P-C4' energy: -175.949
flat angles P-C4'-P energy: -100.959
tors. eta vs tors. theta energy: -255.503
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: 10
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -2686.673696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.673696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.225784 (E_RNA)
where:
Base-Base interactions energy: -1904.955
where: short stacking energy: -826.853
Base-Backbone interact. energy: -2.644
local terms energy: -781.626493
where:
bonds (distance) C4'-P energy: -128.793
bonds (distance) P-C4' energy: -141.341
flat angles C4'-P-C4' energy: -144.920
flat angles P-C4'-P energy: -117.696
tors. eta vs tors. theta energy: -248.877
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: 3, replica: 8
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -2638.687717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.687717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.647940 (E_RNA)
where:
Base-Base interactions energy: -1855.248
where: short stacking energy: -778.720
Base-Backbone interact. energy: -4.385
local terms energy: -786.015516
where:
bonds (distance) C4'-P energy: -127.785
bonds (distance) P-C4' energy: -154.984
flat angles C4'-P-C4' energy: -163.443
flat angles P-C4'-P energy: -100.564
tors. eta vs tors. theta energy: -239.240
Dist. restrs. and SS energy: 6.960 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -2525.233010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.233010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.357672 (E_RNA)
where:
Base-Base interactions energy: -1771.089
where: short stacking energy: -733.552
Base-Backbone interact. energy: -1.451
local terms energy: -757.817827
where:
bonds (distance) C4'-P energy: -141.117
bonds (distance) P-C4' energy: -147.725
flat angles C4'-P-C4' energy: -142.343
flat angles P-C4'-P energy: -106.094
tors. eta vs tors. theta energy: -220.539
Dist. restrs. and SS energy: 5.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -2405.618321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.618321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.061298 (E_RNA)
where:
Base-Base interactions energy: -1690.361
where: short stacking energy: -709.577
Base-Backbone interact. energy: 0.203
local terms energy: -718.903360
where:
bonds (distance) C4'-P energy: -129.065
bonds (distance) P-C4' energy: -124.621
flat angles C4'-P-C4' energy: -152.752
flat angles P-C4'-P energy: -100.361
tors. eta vs tors. theta energy: -212.104
Dist. restrs. and SS energy: 3.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -2324.765898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.765898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.567923 (E_RNA)
where:
Base-Base interactions energy: -1637.927
where: short stacking energy: -701.654
Base-Backbone interact. energy: -0.681
local terms energy: -694.959901
where:
bonds (distance) C4'-P energy: -114.283
bonds (distance) P-C4' energy: -116.850
flat angles C4'-P-C4' energy: -160.167
flat angles P-C4'-P energy: -100.812
tors. eta vs tors. theta energy: -202.848
Dist. restrs. and SS energy: 8.802 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -2289.723198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.723198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.470422 (E_RNA)
where:
Base-Base interactions energy: -1609.570
where: short stacking energy: -675.008
Base-Backbone interact. energy: -2.890
local terms energy: -695.009900
where:
bonds (distance) C4'-P energy: -120.535
bonds (distance) P-C4' energy: -130.140
flat angles C4'-P-C4' energy: -141.925
flat angles P-C4'-P energy: -100.252
tors. eta vs tors. theta energy: -202.158
Dist. restrs. and SS energy: 17.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -2198.529788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.529788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.395837 (E_RNA)
where:
Base-Base interactions energy: -1563.147
where: short stacking energy: -663.231
Base-Backbone interact. energy: -3.248
local terms energy: -645.000802
where:
bonds (distance) C4'-P energy: -123.563
bonds (distance) P-C4' energy: -95.874
flat angles C4'-P-C4' energy: -165.041
flat angles P-C4'-P energy: -83.277
tors. eta vs tors. theta energy: -177.245
Dist. restrs. and SS energy: 12.866 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -2121.803761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.803761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.286849 (E_RNA)
where:
Base-Base interactions energy: -1527.188
where: short stacking energy: -614.657
Base-Backbone interact. energy: 3.815
local terms energy: -613.914227
where:
bonds (distance) C4'-P energy: -92.025
bonds (distance) P-C4' energy: -128.952
flat angles C4'-P-C4' energy: -136.946
flat angles P-C4'-P energy: -82.580
tors. eta vs tors. theta energy: -173.411
Dist. restrs. and SS energy: 15.483 (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: 7
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -1948.307537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.307537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.457558 (E_RNA)
where:
Base-Base interactions energy: -1351.903
where: short stacking energy: -561.548
Base-Backbone interact. energy: -1.906
local terms energy: -608.648026
where:
bonds (distance) C4'-P energy: -107.288
bonds (distance) P-C4' energy: -129.218
flat angles C4'-P-C4' energy: -133.345
flat angles P-C4'-P energy: -72.326
tors. eta vs tors. theta energy: -166.471
Dist. restrs. and SS energy: 14.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -2822.914998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.914998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2831.749148 (E_RNA)
where:
Base-Base interactions energy: -1983.256
where: short stacking energy: -839.462
Base-Backbone interact. energy: -4.824
local terms energy: -843.668792
where:
bonds (distance) C4'-P energy: -143.625
bonds (distance) P-C4' energy: -137.188
flat angles C4'-P-C4' energy: -182.387
flat angles P-C4'-P energy: -124.914
tors. eta vs tors. theta energy: -255.556
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: 2, replica: 10
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -2703.356549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.356549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.124759 (E_RNA)
where:
Base-Base interactions energy: -1884.069
where: short stacking energy: -813.340
Base-Backbone interact. energy: -2.320
local terms energy: -819.735497
where:
bonds (distance) C4'-P energy: -140.533
bonds (distance) P-C4' energy: -154.443
flat angles C4'-P-C4' energy: -162.957
flat angles P-C4'-P energy: -110.360
tors. eta vs tors. theta energy: -251.443
Dist. restrs. and SS energy: 2.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -2641.314471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.314471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.744980 (E_RNA)
where:
Base-Base interactions energy: -1836.179
where: short stacking energy: -779.609
Base-Backbone interact. energy: -3.863
local terms energy: -807.702369
where:
bonds (distance) C4'-P energy: -143.224
bonds (distance) P-C4' energy: -160.683
flat angles C4'-P-C4' energy: -156.281
flat angles P-C4'-P energy: -110.701
tors. eta vs tors. theta energy: -236.814
Dist. restrs. and SS energy: 6.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -2558.217947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.217947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.995847 (E_RNA)
where:
Base-Base interactions energy: -1776.597
where: short stacking energy: -780.220
Base-Backbone interact. energy: -3.183
local terms energy: -782.215861
where:
bonds (distance) C4'-P energy: -135.564
bonds (distance) P-C4' energy: -128.438
flat angles C4'-P-C4' energy: -171.157
flat angles P-C4'-P energy: -102.784
tors. eta vs tors. theta energy: -244.273
Dist. restrs. and SS energy: 3.778 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -2427.813663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.813663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.357823 (E_RNA)
where:
Base-Base interactions energy: -1703.129
where: short stacking energy: -732.933
Base-Backbone interact. energy: 2.134
local terms energy: -733.362960
where:
bonds (distance) C4'-P energy: -112.908
bonds (distance) P-C4' energy: -144.641
flat angles C4'-P-C4' energy: -152.744
flat angles P-C4'-P energy: -99.870
tors. eta vs tors. theta energy: -223.200
Dist. restrs. and SS energy: 6.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -2362.297850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.297850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.685754 (E_RNA)
where:
Base-Base interactions energy: -1680.174
where: short stacking energy: -716.107
Base-Backbone interact. energy: 0.484
local terms energy: -690.995780
where:
bonds (distance) C4'-P energy: -125.257
bonds (distance) P-C4' energy: -128.172
flat angles C4'-P-C4' energy: -157.337
flat angles P-C4'-P energy: -82.877
tors. eta vs tors. theta energy: -197.352
Dist. restrs. and SS energy: 8.388 (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: 9
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -2284.570734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.570734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.336416 (E_RNA)
where:
Base-Base interactions energy: -1569.932
where: short stacking energy: -646.562
Base-Backbone interact. energy: 0.359
local terms energy: -733.763401
where:
bonds (distance) C4'-P energy: -139.115
bonds (distance) P-C4' energy: -128.964
flat angles C4'-P-C4' energy: -156.798
flat angles P-C4'-P energy: -99.275
tors. eta vs tors. theta energy: -209.612
Dist. restrs. and SS energy: 18.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -2278.709326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.709326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.582269 (E_RNA)
where:
Base-Base interactions energy: -1599.366
where: short stacking energy: -653.861
Base-Backbone interact. energy: -1.645
local terms energy: -684.570460
where:
bonds (distance) C4'-P energy: -130.295
bonds (distance) P-C4' energy: -119.401
flat angles C4'-P-C4' energy: -147.491
flat angles P-C4'-P energy: -105.968
tors. eta vs tors. theta energy: -181.415
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: 9, replica: 4
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -2100.566662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.566662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.865731 (E_RNA)
where:
Base-Base interactions energy: -1508.952
where: short stacking energy: -630.694
Base-Backbone interact. energy: -3.928
local terms energy: -597.985422
where:
bonds (distance) C4'-P energy: -109.349
bonds (distance) P-C4' energy: -125.326
flat angles C4'-P-C4' energy: -127.434
flat angles P-C4'-P energy: -72.057
tors. eta vs tors. theta energy: -163.820
Dist. restrs. and SS energy: 10.299 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -1981.484907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.484907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.499111 (E_RNA)
where:
Base-Base interactions energy: -1385.777
where: short stacking energy: -571.871
Base-Backbone interact. energy: -3.627
local terms energy: -612.095343
where:
bonds (distance) C4'-P energy: -121.861
bonds (distance) P-C4' energy: -87.959
flat angles C4'-P-C4' energy: -155.256
flat angles P-C4'-P energy: -86.832
tors. eta vs tors. theta energy: -160.187
Dist. restrs. and SS energy: 20.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -2834.883449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2834.883449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2837.759690 (E_RNA)
where:
Base-Base interactions energy: -1977.890
where: short stacking energy: -846.200
Base-Backbone interact. energy: -1.757
local terms energy: -858.112574
where:
bonds (distance) C4'-P energy: -139.271
bonds (distance) P-C4' energy: -149.078
flat angles C4'-P-C4' energy: -174.895
flat angles P-C4'-P energy: -132.710
tors. eta vs tors. theta energy: -262.159
Dist. restrs. and SS energy: 2.876 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -2708.334389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.334389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.619249 (E_RNA)
where:
Base-Base interactions energy: -1880.013
where: short stacking energy: -769.704
Base-Backbone interact. energy: -0.790
local terms energy: -832.815829
where:
bonds (distance) C4'-P energy: -134.511
bonds (distance) P-C4' energy: -157.149
flat angles C4'-P-C4' energy: -166.442
flat angles P-C4'-P energy: -118.290
tors. eta vs tors. theta energy: -256.425
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: 8
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -2615.818236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.818236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.645994 (E_RNA)
where:
Base-Base interactions energy: -1861.128
where: short stacking energy: -785.339
Base-Backbone interact. energy: -1.830
local terms energy: -759.688204
where:
bonds (distance) C4'-P energy: -134.763
bonds (distance) P-C4' energy: -149.613
flat angles C4'-P-C4' energy: -159.985
flat angles P-C4'-P energy: -96.162
tors. eta vs tors. theta energy: -219.165
Dist. restrs. and SS energy: 6.828 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -2556.085609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.085609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.221523 (E_RNA)
where:
Base-Base interactions energy: -1791.782
where: short stacking energy: -770.546
Base-Backbone interact. energy: -2.246
local terms energy: -766.194020
where:
bonds (distance) C4'-P energy: -139.429
bonds (distance) P-C4' energy: -136.051
flat angles C4'-P-C4' energy: -162.848
flat angles P-C4'-P energy: -94.474
tors. eta vs tors. theta energy: -233.392
Dist. restrs. and SS energy: 4.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -2417.881561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.881561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.230474 (E_RNA)
where:
Base-Base interactions energy: -1722.430
where: short stacking energy: -714.914
Base-Backbone interact. energy: -3.320
local terms energy: -695.480158
where:
bonds (distance) C4'-P energy: -105.926
bonds (distance) P-C4' energy: -131.278
flat angles C4'-P-C4' energy: -150.811
flat angles P-C4'-P energy: -96.899
tors. eta vs tors. theta energy: -210.566
Dist. restrs. and SS energy: 3.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -2327.791718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.791718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.956654 (E_RNA)
where:
Base-Base interactions energy: -1647.316
where: short stacking energy: -669.321
Base-Backbone interact. energy: 0.380
local terms energy: -690.020586
where:
bonds (distance) C4'-P energy: -116.835
bonds (distance) P-C4' energy: -138.168
flat angles C4'-P-C4' energy: -147.257
flat angles P-C4'-P energy: -77.962
tors. eta vs tors. theta energy: -209.798
Dist. restrs. and SS energy: 9.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -2258.867507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.867507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.768631 (E_RNA)
where:
Base-Base interactions energy: -1609.868
where: short stacking energy: -653.294
Base-Backbone interact. energy: 0.084
local terms energy: -663.984601
where:
bonds (distance) C4'-P energy: -105.798
bonds (distance) P-C4' energy: -130.350
flat angles C4'-P-C4' energy: -136.533
flat angles P-C4'-P energy: -101.267
tors. eta vs tors. theta energy: -190.036
Dist. restrs. and SS energy: 14.901 (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: 287
Temperature: 1.250000
Total energy: -2203.450665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.450665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.245933 (E_RNA)
where:
Base-Base interactions energy: -1566.022
where: short stacking energy: -650.507
Base-Backbone interact. energy: -1.400
local terms energy: -642.823934
where:
bonds (distance) C4'-P energy: -123.458
bonds (distance) P-C4' energy: -103.178
flat angles C4'-P-C4' energy: -131.766
flat angles P-C4'-P energy: -101.162
tors. eta vs tors. theta energy: -183.260
Dist. restrs. and SS energy: 6.795 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -2087.597475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.597475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.714199 (E_RNA)
where:
Base-Base interactions energy: -1506.012
where: short stacking energy: -635.379
Base-Backbone interact. energy: 1.350
local terms energy: -589.052463
where:
bonds (distance) C4'-P energy: -103.873
bonds (distance) P-C4' energy: -117.832
flat angles C4'-P-C4' energy: -125.457
flat angles P-C4'-P energy: -79.791
tors. eta vs tors. theta energy: -162.100
Dist. restrs. and SS energy: 6.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -1941.581855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.581855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.887916 (E_RNA)
where:
Base-Base interactions energy: -1363.613
where: short stacking energy: -555.372
Base-Backbone interact. energy: 2.360
local terms energy: -603.634666
where:
bonds (distance) C4'-P energy: -119.612
bonds (distance) P-C4' energy: -111.365
flat angles C4'-P-C4' energy: -124.032
flat angles P-C4'-P energy: -93.708
tors. eta vs tors. theta energy: -154.918
Dist. restrs. and SS energy: 23.306 (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: 3
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -2809.905424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.905424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.966592 (E_RNA)
where:
Base-Base interactions energy: -1981.958
where: short stacking energy: -843.207
Base-Backbone interact. energy: -6.648
local terms energy: -824.360597
where:
bonds (distance) C4'-P energy: -127.968
bonds (distance) P-C4' energy: -147.979
flat angles C4'-P-C4' energy: -175.894
flat angles P-C4'-P energy: -120.009
tors. eta vs tors. theta energy: -252.510
Dist. restrs. and SS energy: 3.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -2735.852228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.852228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.185993 (E_RNA)
where:
Base-Base interactions energy: -1900.462
where: short stacking energy: -802.190
Base-Backbone interact. energy: -3.215
local terms energy: -835.509159
where:
bonds (distance) C4'-P energy: -155.790
bonds (distance) P-C4' energy: -146.556
flat angles C4'-P-C4' energy: -163.885
flat angles P-C4'-P energy: -115.479
tors. eta vs tors. theta energy: -253.799
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: 8
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -2611.109781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.109781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.162730 (E_RNA)
where:
Base-Base interactions energy: -1837.396
where: short stacking energy: -750.820
Base-Backbone interact. energy: 1.045
local terms energy: -782.811650
where:
bonds (distance) C4'-P energy: -143.582
bonds (distance) P-C4' energy: -134.743
flat angles C4'-P-C4' energy: -162.261
flat angles P-C4'-P energy: -106.380
tors. eta vs tors. theta energy: -235.846
Dist. restrs. and SS energy: 8.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -2580.856785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.856785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.813415 (E_RNA)
where:
Base-Base interactions energy: -1789.561
where: short stacking energy: -789.939
Base-Backbone interact. energy: 0.991
local terms energy: -794.243505
where:
bonds (distance) C4'-P energy: -135.978
bonds (distance) P-C4' energy: -145.438
flat angles C4'-P-C4' energy: -162.340
flat angles P-C4'-P energy: -114.237
tors. eta vs tors. theta energy: -236.251
Dist. restrs. and SS energy: 1.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -2454.549172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.549172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.705085 (E_RNA)
where:
Base-Base interactions energy: -1747.478
where: short stacking energy: -732.007
Base-Backbone interact. energy: 0.354
local terms energy: -710.580624
where:
bonds (distance) C4'-P energy: -116.169
bonds (distance) P-C4' energy: -124.393
flat angles C4'-P-C4' energy: -144.357
flat angles P-C4'-P energy: -105.074
tors. eta vs tors. theta energy: -220.587
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: 6, replica: 6
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -2336.194753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.194753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.819259 (E_RNA)
where:
Base-Base interactions energy: -1647.867
where: short stacking energy: -691.126
Base-Backbone interact. energy: -0.430
local terms energy: -692.522159
where:
bonds (distance) C4'-P energy: -129.566
bonds (distance) P-C4' energy: -143.776
flat angles C4'-P-C4' energy: -127.300
flat angles P-C4'-P energy: -93.417
tors. eta vs tors. theta energy: -198.463
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: 7, replica: 9
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -2269.616709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.616709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.057122 (E_RNA)
where:
Base-Base interactions energy: -1614.649
where: short stacking energy: -662.426
Base-Backbone interact. energy: -1.714
local terms energy: -664.693628
where:
bonds (distance) C4'-P energy: -107.119
bonds (distance) P-C4' energy: -122.286
flat angles C4'-P-C4' energy: -148.222
flat angles P-C4'-P energy: -87.422
tors. eta vs tors. theta energy: -199.644
Dist. restrs. and SS energy: 11.440 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -2247.766140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.766140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.150325 (E_RNA)
where:
Base-Base interactions energy: -1570.953
where: short stacking energy: -676.713
Base-Backbone interact. energy: -2.195
local terms energy: -684.002605
where:
bonds (distance) C4'-P energy: -91.790
bonds (distance) P-C4' energy: -113.249
flat angles C4'-P-C4' energy: -161.779
flat angles P-C4'-P energy: -108.426
tors. eta vs tors. theta energy: -208.758
Dist. restrs. and SS energy: 9.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -2085.756026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.756026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.258991 (E_RNA)
where:
Base-Base interactions energy: -1470.725
where: short stacking energy: -644.537
Base-Backbone interact. energy: 3.414
local terms energy: -629.947865
where:
bonds (distance) C4'-P energy: -97.969
bonds (distance) P-C4' energy: -122.885
flat angles C4'-P-C4' energy: -139.385
flat angles P-C4'-P energy: -86.372
tors. eta vs tors. theta energy: -183.337
Dist. restrs. and SS energy: 11.503 (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: 7
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -1942.302835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.302835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.732701 (E_RNA)
where:
Base-Base interactions energy: -1355.504
where: short stacking energy: -570.039
Base-Backbone interact. energy: -3.822
local terms energy: -605.406390
where:
bonds (distance) C4'-P energy: -133.818
bonds (distance) P-C4' energy: -122.049
flat angles C4'-P-C4' energy: -124.348
flat angles P-C4'-P energy: -73.178
tors. eta vs tors. theta energy: -152.014
Dist. restrs. and SS energy: 22.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -2798.404980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.404980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.518812 (E_RNA)
where:
Base-Base interactions energy: -1977.132
where: short stacking energy: -834.037
Base-Backbone interact. energy: -3.408
local terms energy: -820.978865
where:
bonds (distance) C4'-P energy: -130.227
bonds (distance) P-C4' energy: -146.313
flat angles C4'-P-C4' energy: -172.477
flat angles P-C4'-P energy: -113.742
tors. eta vs tors. theta energy: -258.220
Dist. restrs. and SS energy: 3.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -2714.559819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.559819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.456510 (E_RNA)
where:
Base-Base interactions energy: -1885.092
where: short stacking energy: -782.305
Base-Backbone interact. energy: 4.194
local terms energy: -838.558809
where:
bonds (distance) C4'-P energy: -160.778
bonds (distance) P-C4' energy: -152.008
flat angles C4'-P-C4' energy: -165.805
flat angles P-C4'-P energy: -114.349
tors. eta vs tors. theta energy: -245.618
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: 289
Temperature: 1.000000
Total energy: -2637.991241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.991241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.186631 (E_RNA)
where:
Base-Base interactions energy: -1859.309
where: short stacking energy: -790.301
Base-Backbone interact. energy: 2.773
local terms energy: -787.650647
where:
bonds (distance) C4'-P energy: -125.180
bonds (distance) P-C4' energy: -148.265
flat angles C4'-P-C4' energy: -164.873
flat angles P-C4'-P energy: -123.787
tors. eta vs tors. theta energy: -225.545
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: 4, replica: 2
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -2550.573010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.573010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.937271 (E_RNA)
where:
Base-Base interactions energy: -1802.445
where: short stacking energy: -757.786
Base-Backbone interact. energy: -1.479
local terms energy: -753.012969
where:
bonds (distance) C4'-P energy: -132.186
bonds (distance) P-C4' energy: -148.433
flat angles C4'-P-C4' energy: -153.282
flat angles P-C4'-P energy: -99.999
tors. eta vs tors. theta energy: -219.112
Dist. restrs. and SS energy: 6.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -2456.867287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.867287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.846644 (E_RNA)
where:
Base-Base interactions energy: -1770.307
where: short stacking energy: -742.806
Base-Backbone interact. energy: -1.359
local terms energy: -689.180487
where:
bonds (distance) C4'-P energy: -114.417
bonds (distance) P-C4' energy: -126.211
flat angles C4'-P-C4' energy: -146.935
flat angles P-C4'-P energy: -86.275
tors. eta vs tors. theta energy: -215.343
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: 6, replica: 6
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -2386.355786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.355786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.516154 (E_RNA)
where:
Base-Base interactions energy: -1665.756
where: short stacking energy: -711.786
Base-Backbone interact. energy: -3.100
local terms energy: -726.660474
where:
bonds (distance) C4'-P energy: -129.127
bonds (distance) P-C4' energy: -135.423
flat angles C4'-P-C4' energy: -151.568
flat angles P-C4'-P energy: -107.076
tors. eta vs tors. theta energy: -203.466
Dist. restrs. and SS energy: 9.160 (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: 9
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -2260.229392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.229392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.053511 (E_RNA)
where:
Base-Base interactions energy: -1636.775
where: short stacking energy: -674.014
Base-Backbone interact. energy: 4.634
local terms energy: -641.912644
where:
bonds (distance) C4'-P energy: -110.250
bonds (distance) P-C4' energy: -113.374
flat angles C4'-P-C4' energy: -145.550
flat angles P-C4'-P energy: -93.253
tors. eta vs tors. theta energy: -179.486
Dist. restrs. and SS energy: 13.824 (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: 289
Temperature: 1.250000
Total energy: -2221.932257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.932257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.223474 (E_RNA)
where:
Base-Base interactions energy: -1570.063
where: short stacking energy: -667.841
Base-Backbone interact. energy: -2.897
local terms energy: -657.262640
where:
bonds (distance) C4'-P energy: -104.586
bonds (distance) P-C4' energy: -118.756
flat angles C4'-P-C4' energy: -145.658
flat angles P-C4'-P energy: -91.861
tors. eta vs tors. theta energy: -196.402
Dist. restrs. and SS energy: 8.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -2092.972593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.972593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.522401 (E_RNA)
where:
Base-Base interactions energy: -1469.145
where: short stacking energy: -609.980
Base-Backbone interact. energy: -0.745
local terms energy: -637.632222
where:
bonds (distance) C4'-P energy: -123.218
bonds (distance) P-C4' energy: -110.977
flat angles C4'-P-C4' energy: -145.224
flat angles P-C4'-P energy: -82.636
tors. eta vs tors. theta energy: -175.577
Dist. restrs. and SS energy: 14.550 (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: 7
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -1902.407739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.407739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.207045 (E_RNA)
where:
Base-Base interactions energy: -1346.842
where: short stacking energy: -594.545
Base-Backbone interact. energy: -0.656
local terms energy: -583.709276
where:
bonds (distance) C4'-P energy: -110.179
bonds (distance) P-C4' energy: -109.889
flat angles C4'-P-C4' energy: -127.817
flat angles P-C4'-P energy: -74.246
tors. eta vs tors. theta energy: -161.578
Dist. restrs. and SS energy: 28.799 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -2808.046403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.046403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.055935 (E_RNA)
where:
Base-Base interactions energy: -1975.589
where: short stacking energy: -843.106
Base-Backbone interact. energy: -4.352
local terms energy: -831.114882
where:
bonds (distance) C4'-P energy: -145.762
bonds (distance) P-C4' energy: -147.640
flat angles C4'-P-C4' energy: -170.003
flat angles P-C4'-P energy: -116.921
tors. eta vs tors. theta energy: -250.789
Dist. restrs. and SS energy: 3.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -2714.592157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.592157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.406579 (E_RNA)
where:
Base-Base interactions energy: -1895.192
where: short stacking energy: -811.500
Base-Backbone interact. energy: -2.431
local terms energy: -819.783438
where:
bonds (distance) C4'-P energy: -146.614
bonds (distance) P-C4' energy: -151.261
flat angles C4'-P-C4' energy: -174.351
flat angles P-C4'-P energy: -100.329
tors. eta vs tors. theta energy: -247.228
Dist. restrs. and SS energy: 2.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -2615.149504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.149504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.506405 (E_RNA)
where:
Base-Base interactions energy: -1829.976
where: short stacking energy: -779.461
Base-Backbone interact. energy: -2.243
local terms energy: -791.287537
where:
bonds (distance) C4'-P energy: -141.474
bonds (distance) P-C4' energy: -135.437
flat angles C4'-P-C4' energy: -169.952
flat angles P-C4'-P energy: -104.105
tors. eta vs tors. theta energy: -240.319
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: 4, replica: 2
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -2538.869575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.869575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.925352 (E_RNA)
where:
Base-Base interactions energy: -1780.055
where: short stacking energy: -773.372
Base-Backbone interact. energy: -1.318
local terms energy: -762.551591
where:
bonds (distance) C4'-P energy: -126.396
bonds (distance) P-C4' energy: -135.706
flat angles C4'-P-C4' energy: -165.736
flat angles P-C4'-P energy: -106.014
tors. eta vs tors. theta energy: -228.699
Dist. restrs. and SS energy: 5.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -2455.556745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.556745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.711101 (E_RNA)
where:
Base-Base interactions energy: -1718.353
where: short stacking energy: -714.351
Base-Backbone interact. energy: 0.313
local terms energy: -744.670681
where:
bonds (distance) C4'-P energy: -123.191
bonds (distance) P-C4' energy: -139.429
flat angles C4'-P-C4' energy: -155.756
flat angles P-C4'-P energy: -104.446
tors. eta vs tors. theta energy: -221.849
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: 6, replica: 6
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -2388.678038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.678038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.752235 (E_RNA)
where:
Base-Base interactions energy: -1640.965
where: short stacking energy: -721.639
Base-Backbone interact. energy: 3.873
local terms energy: -757.659269
where:
bonds (distance) C4'-P energy: -131.159
bonds (distance) P-C4' energy: -140.145
flat angles C4'-P-C4' energy: -155.764
flat angles P-C4'-P energy: -110.266
tors. eta vs tors. theta energy: -220.325
Dist. restrs. and SS energy: 6.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -2265.223585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.223585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.174827 (E_RNA)
where:
Base-Base interactions energy: -1608.619
where: short stacking energy: -675.064
Base-Backbone interact. energy: 0.167
local terms energy: -666.722944
where:
bonds (distance) C4'-P energy: -114.051
bonds (distance) P-C4' energy: -117.581
flat angles C4'-P-C4' energy: -144.927
flat angles P-C4'-P energy: -95.811
tors. eta vs tors. theta energy: -194.352
Dist. restrs. and SS energy: 9.951 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -2224.465497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.465497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.253631 (E_RNA)
where:
Base-Base interactions energy: -1586.054
where: short stacking energy: -663.791
Base-Backbone interact. energy: -1.598
local terms energy: -652.601110
where:
bonds (distance) C4'-P energy: -120.270
bonds (distance) P-C4' energy: -117.261
flat angles C4'-P-C4' energy: -135.954
flat angles P-C4'-P energy: -87.287
tors. eta vs tors. theta energy: -191.829
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: 9, replica: 4
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -2043.723536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.723536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.672644 (E_RNA)
where:
Base-Base interactions energy: -1431.532
where: short stacking energy: -612.061
Base-Backbone interact. energy: -1.901
local terms energy: -624.239621
where:
bonds (distance) C4'-P energy: -108.547
bonds (distance) P-C4' energy: -109.998
flat angles C4'-P-C4' energy: -143.529
flat angles P-C4'-P energy: -93.753
tors. eta vs tors. theta energy: -168.412
Dist. restrs. and SS energy: 13.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -1917.564157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.564157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.918443 (E_RNA)
where:
Base-Base interactions energy: -1368.921
where: short stacking energy: -587.629
Base-Backbone interact. energy: -0.463
local terms energy: -572.533942
where:
bonds (distance) C4'-P energy: -110.506
bonds (distance) P-C4' energy: -105.580
flat angles C4'-P-C4' energy: -125.062
flat angles P-C4'-P energy: -80.674
tors. eta vs tors. theta energy: -150.711
Dist. restrs. and SS energy: 24.354 (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: 3
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -2792.336831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2792.336831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.834999 (E_RNA)
where:
Base-Base interactions energy: -1959.040
where: short stacking energy: -840.657
Base-Backbone interact. energy: -6.688
local terms energy: -829.107011
where:
bonds (distance) C4'-P energy: -140.200
bonds (distance) P-C4' energy: -142.719
flat angles C4'-P-C4' energy: -172.117
flat angles P-C4'-P energy: -123.276
tors. eta vs tors. theta energy: -250.795
Dist. restrs. and SS energy: 2.498 (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: 10
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -2717.187056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.187056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.355956 (E_RNA)
where:
Base-Base interactions energy: -1892.322
where: short stacking energy: -824.668
Base-Backbone interact. energy: -1.028
local terms energy: -825.005364
where:
bonds (distance) C4'-P energy: -147.928
bonds (distance) P-C4' energy: -140.467
flat angles C4'-P-C4' energy: -163.571
flat angles P-C4'-P energy: -123.885
tors. eta vs tors. theta energy: -249.154
Dist. restrs. and SS energy: 1.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -2619.306792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.306792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.514051 (E_RNA)
where:
Base-Base interactions energy: -1850.336
where: short stacking energy: -784.913
Base-Backbone interact. energy: -2.177
local terms energy: -774.001117
where:
bonds (distance) C4'-P energy: -140.396
bonds (distance) P-C4' energy: -124.548
flat angles C4'-P-C4' energy: -170.469
flat angles P-C4'-P energy: -107.733
tors. eta vs tors. theta energy: -230.855
Dist. restrs. and SS energy: 7.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -2545.286935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.286935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.978683 (E_RNA)
where:
Base-Base interactions energy: -1796.643
where: short stacking energy: -774.997
Base-Backbone interact. energy: -1.779
local terms energy: -751.556329
where:
bonds (distance) C4'-P energy: -126.931
bonds (distance) P-C4' energy: -143.628
flat angles C4'-P-C4' energy: -152.707
flat angles P-C4'-P energy: -97.212
tors. eta vs tors. theta energy: -231.078
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: 5, replica: 5
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -2442.407556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.407556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.104895 (E_RNA)
where:
Base-Base interactions energy: -1723.206
where: short stacking energy: -704.560
Base-Backbone interact. energy: -2.336
local terms energy: -718.562740
where:
bonds (distance) C4'-P energy: -132.254
bonds (distance) P-C4' energy: -131.868
flat angles C4'-P-C4' energy: -141.884
flat angles P-C4'-P energy: -105.318
tors. eta vs tors. theta energy: -207.238
Dist. restrs. and SS energy: 1.697 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -2319.985747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.985747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.925359 (E_RNA)
where:
Base-Base interactions energy: -1649.662
where: short stacking energy: -680.258
Base-Backbone interact. energy: -3.587
local terms energy: -671.676679
where:
bonds (distance) C4'-P energy: -114.825
bonds (distance) P-C4' energy: -115.657
flat angles C4'-P-C4' energy: -152.538
flat angles P-C4'-P energy: -84.939
tors. eta vs tors. theta energy: -203.718
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: 7, replica: 6
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -2324.824513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.824513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.326927 (E_RNA)
where:
Base-Base interactions energy: -1598.376
where: short stacking energy: -692.469
Base-Backbone interact. energy: 0.557
local terms energy: -736.507671
where:
bonds (distance) C4'-P energy: -131.781
bonds (distance) P-C4' energy: -142.816
flat angles C4'-P-C4' energy: -154.104
flat angles P-C4'-P energy: -95.746
tors. eta vs tors. theta energy: -212.060
Dist. restrs. and SS energy: 9.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -2207.131489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.131489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.384129 (E_RNA)
where:
Base-Base interactions energy: -1569.767
where: short stacking energy: -655.491
Base-Backbone interact. energy: 6.429
local terms energy: -661.045843
where:
bonds (distance) C4'-P energy: -123.219
bonds (distance) P-C4' energy: -113.240
flat angles C4'-P-C4' energy: -129.722
flat angles P-C4'-P energy: -103.463
tors. eta vs tors. theta energy: -191.402
Dist. restrs. and SS energy: 17.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -2066.640718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.640718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.252177 (E_RNA)
where:
Base-Base interactions energy: -1466.852
where: short stacking energy: -632.454
Base-Backbone interact. energy: 0.746
local terms energy: -621.145924
where:
bonds (distance) C4'-P energy: -118.161
bonds (distance) P-C4' energy: -127.888
flat angles C4'-P-C4' energy: -127.592
flat angles P-C4'-P energy: -76.607
tors. eta vs tors. theta energy: -170.898
Dist. restrs. and SS energy: 20.611 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -1933.113242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.113242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.321275 (E_RNA)
where:
Base-Base interactions energy: -1364.161
where: short stacking energy: -546.869
Base-Backbone interact. energy: -2.381
local terms energy: -594.778377
where:
bonds (distance) C4'-P energy: -106.262
bonds (distance) P-C4' energy: -122.607
flat angles C4'-P-C4' energy: -125.089
flat angles P-C4'-P energy: -74.027
tors. eta vs tors. theta energy: -166.794
Dist. restrs. and SS energy: 28.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -2774.876538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.876538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.377638 (E_RNA)
where:
Base-Base interactions energy: -1937.321
where: short stacking energy: -819.338
Base-Backbone interact. energy: -3.008
local terms energy: -841.048234
where:
bonds (distance) C4'-P energy: -146.793
bonds (distance) P-C4' energy: -159.952
flat angles C4'-P-C4' energy: -169.463
flat angles P-C4'-P energy: -116.070
tors. eta vs tors. theta energy: -248.770
Dist. restrs. and SS energy: 6.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -2737.584235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.584235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.334479 (E_RNA)
where:
Base-Base interactions energy: -1924.233
where: short stacking energy: -826.181
Base-Backbone interact. energy: -8.572
local terms energy: -809.529238
where:
bonds (distance) C4'-P energy: -138.566
bonds (distance) P-C4' energy: -135.156
flat angles C4'-P-C4' energy: -165.727
flat angles P-C4'-P energy: -122.724
tors. eta vs tors. theta energy: -247.357
Dist. restrs. and SS energy: 4.750 (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: 292
Temperature: 1.000000
Total energy: -2623.236327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.236327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.146615 (E_RNA)
where:
Base-Base interactions energy: -1836.735
where: short stacking energy: -793.591
Base-Backbone interact. energy: -3.686
local terms energy: -784.726261
where:
bonds (distance) C4'-P energy: -143.225
bonds (distance) P-C4' energy: -145.438
flat angles C4'-P-C4' energy: -165.007
flat angles P-C4'-P energy: -107.575
tors. eta vs tors. theta energy: -223.481
Dist. restrs. and SS energy: 1.910 (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: 2
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -2529.057704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.057704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.138240 (E_RNA)
where:
Base-Base interactions energy: -1759.105
where: short stacking energy: -735.365
Base-Backbone interact. energy: -0.234
local terms energy: -774.799440
where:
bonds (distance) C4'-P energy: -134.135
bonds (distance) P-C4' energy: -136.817
flat angles C4'-P-C4' energy: -170.931
flat angles P-C4'-P energy: -107.224
tors. eta vs tors. theta energy: -225.693
Dist. restrs. and SS energy: 5.081 (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: 5
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -2428.091839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.091839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.412118 (E_RNA)
where:
Base-Base interactions energy: -1695.976
where: short stacking energy: -712.877
Base-Backbone interact. energy: -3.722
local terms energy: -731.714615
where:
bonds (distance) C4'-P energy: -128.486
bonds (distance) P-C4' energy: -137.259
flat angles C4'-P-C4' energy: -155.611
flat angles P-C4'-P energy: -103.336
tors. eta vs tors. theta energy: -207.022
Dist. restrs. and SS energy: 3.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -2339.619100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.619100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.691584 (E_RNA)
where:
Base-Base interactions energy: -1627.274
where: short stacking energy: -699.583
Base-Backbone interact. energy: -0.631
local terms energy: -716.786708
where:
bonds (distance) C4'-P energy: -123.630
bonds (distance) P-C4' energy: -135.164
flat angles C4'-P-C4' energy: -154.124
flat angles P-C4'-P energy: -99.093
tors. eta vs tors. theta energy: -204.776
Dist. restrs. and SS energy: 5.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -2354.946805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.946805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.041416 (E_RNA)
where:
Base-Base interactions energy: -1631.398
where: short stacking energy: -699.217
Base-Backbone interact. energy: -0.202
local terms energy: -729.442130
where:
bonds (distance) C4'-P energy: -131.435
bonds (distance) P-C4' energy: -134.331
flat angles C4'-P-C4' energy: -145.627
flat angles P-C4'-P energy: -111.967
tors. eta vs tors. theta energy: -206.082
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: 8, replica: 9
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -2224.473306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.473306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.480687 (E_RNA)
where:
Base-Base interactions energy: -1607.259
where: short stacking energy: -669.792
Base-Backbone interact. energy: 1.599
local terms energy: -637.820876
where:
bonds (distance) C4'-P energy: -121.146
bonds (distance) P-C4' energy: -108.604
flat angles C4'-P-C4' energy: -125.624
flat angles P-C4'-P energy: -78.997
tors. eta vs tors. theta energy: -203.451
Dist. restrs. and SS energy: 19.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -2070.090287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.090287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.542603 (E_RNA)
where:
Base-Base interactions energy: -1461.072
where: short stacking energy: -613.282
Base-Backbone interact. energy: 0.277
local terms energy: -621.747127
where:
bonds (distance) C4'-P energy: -123.959
bonds (distance) P-C4' energy: -110.529
flat angles C4'-P-C4' energy: -126.088
flat angles P-C4'-P energy: -77.564
tors. eta vs tors. theta energy: -183.607
Dist. restrs. and SS energy: 12.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -1950.248115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.248115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.641786 (E_RNA)
where:
Base-Base interactions energy: -1358.924
where: short stacking energy: -592.228
Base-Backbone interact. energy: -1.884
local terms energy: -620.833665
where:
bonds (distance) C4'-P energy: -119.815
bonds (distance) P-C4' energy: -96.156
flat angles C4'-P-C4' energy: -140.286
flat angles P-C4'-P energy: -89.796
tors. eta vs tors. theta energy: -174.782
Dist. restrs. and SS energy: 31.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -2762.920708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.920708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2765.165549 (E_RNA)
where:
Base-Base interactions energy: -1946.038
where: short stacking energy: -807.911
Base-Backbone interact. energy: -4.971
local terms energy: -814.156099
where:
bonds (distance) C4'-P energy: -146.649
bonds (distance) P-C4' energy: -129.700
flat angles C4'-P-C4' energy: -169.267
flat angles P-C4'-P energy: -119.518
tors. eta vs tors. theta energy: -249.022
Dist. restrs. and SS energy: 2.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -2748.479232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2748.479232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2751.407448 (E_RNA)
where:
Base-Base interactions energy: -1934.060
where: short stacking energy: -810.903
Base-Backbone interact. energy: -4.951
local terms energy: -812.397048
where:
bonds (distance) C4'-P energy: -142.400
bonds (distance) P-C4' energy: -144.555
flat angles C4'-P-C4' energy: -166.534
flat angles P-C4'-P energy: -109.413
tors. eta vs tors. theta energy: -249.496
Dist. restrs. and SS energy: 2.928 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -2630.258303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.258303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.276325 (E_RNA)
where:
Base-Base interactions energy: -1848.524
where: short stacking energy: -775.141
Base-Backbone interact. energy: -4.401
local terms energy: -782.351542
where:
bonds (distance) C4'-P energy: -121.588
bonds (distance) P-C4' energy: -138.451
flat angles C4'-P-C4' energy: -171.509
flat angles P-C4'-P energy: -117.332
tors. eta vs tors. theta energy: -233.471
Dist. restrs. and SS energy: 5.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -2534.201354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.201354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.060997 (E_RNA)
where:
Base-Base interactions energy: -1758.470
where: short stacking energy: -742.335
Base-Backbone interact. energy: -3.686
local terms energy: -777.904847
where:
bonds (distance) C4'-P energy: -145.904
bonds (distance) P-C4' energy: -144.182
flat angles C4'-P-C4' energy: -157.033
flat angles P-C4'-P energy: -111.087
tors. eta vs tors. theta energy: -219.698
Dist. restrs. and SS energy: 5.860 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -2397.893252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.893252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.691668 (E_RNA)
where:
Base-Base interactions energy: -1669.419
where: short stacking energy: -706.452
Base-Backbone interact. energy: -3.263
local terms energy: -729.009208
where:
bonds (distance) C4'-P energy: -121.410
bonds (distance) P-C4' energy: -130.086
flat angles C4'-P-C4' energy: -153.951
flat angles P-C4'-P energy: -110.949
tors. eta vs tors. theta energy: -212.613
Dist. restrs. and SS energy: 3.798 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -2359.243993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.243993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.302266 (E_RNA)
where:
Base-Base interactions energy: -1660.695
where: short stacking energy: -692.093
Base-Backbone interact. energy: -3.795
local terms energy: -699.812598
where:
bonds (distance) C4'-P energy: -129.266
bonds (distance) P-C4' energy: -112.945
flat angles C4'-P-C4' energy: -164.207
flat angles P-C4'-P energy: -92.457
tors. eta vs tors. theta energy: -200.938
Dist. restrs. and SS energy: 5.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -2281.638899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.638899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.070597 (E_RNA)
where:
Base-Base interactions energy: -1640.129
where: short stacking energy: -684.150
Base-Backbone interact. energy: 0.586
local terms energy: -652.527106
where:
bonds (distance) C4'-P energy: -108.126
bonds (distance) P-C4' energy: -108.514
flat angles C4'-P-C4' energy: -143.523
flat angles P-C4'-P energy: -89.507
tors. eta vs tors. theta energy: -202.857
Dist. restrs. and SS energy: 10.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -2270.140536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.140536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.521329 (E_RNA)
where:
Base-Base interactions energy: -1602.481
where: short stacking energy: -672.288
Base-Backbone interact. energy: -4.133
local terms energy: -675.907277
where:
bonds (distance) C4'-P energy: -122.465
bonds (distance) P-C4' energy: -121.849
flat angles C4'-P-C4' energy: -144.920
flat angles P-C4'-P energy: -88.700
tors. eta vs tors. theta energy: -197.973
Dist. restrs. and SS energy: 12.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -2035.848770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.848770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.799653 (E_RNA)
where:
Base-Base interactions energy: -1424.714
where: short stacking energy: -583.490
Base-Backbone interact. energy: 3.415
local terms energy: -628.501047
where:
bonds (distance) C4'-P energy: -125.238
bonds (distance) P-C4' energy: -124.620
flat angles C4'-P-C4' energy: -119.263
flat angles P-C4'-P energy: -83.716
tors. eta vs tors. theta energy: -175.664
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: 10, replica: 7
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -1903.778296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.778296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.086258 (E_RNA)
where:
Base-Base interactions energy: -1332.307
where: short stacking energy: -554.348
Base-Backbone interact. energy: 0.430
local terms energy: -594.209257
where:
bonds (distance) C4'-P energy: -104.985
bonds (distance) P-C4' energy: -108.414
flat angles C4'-P-C4' energy: -134.596
flat angles P-C4'-P energy: -80.781
tors. eta vs tors. theta energy: -165.433
Dist. restrs. and SS energy: 22.308 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -2814.189744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.189744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2816.277965 (E_RNA)
where:
Base-Base interactions energy: -1959.931
where: short stacking energy: -831.255
Base-Backbone interact. energy: -3.701
local terms energy: -852.645349
where:
bonds (distance) C4'-P energy: -153.378
bonds (distance) P-C4' energy: -144.625
flat angles C4'-P-C4' energy: -169.911
flat angles P-C4'-P energy: -130.153
tors. eta vs tors. theta energy: -254.577
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: 294
Temperature: 0.950000
Total energy: -2751.060899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.060899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2754.488051 (E_RNA)
where:
Base-Base interactions energy: -1938.732
where: short stacking energy: -824.730
Base-Backbone interact. energy: -2.327
local terms energy: -813.428768
where:
bonds (distance) C4'-P energy: -151.768
bonds (distance) P-C4' energy: -134.914
flat angles C4'-P-C4' energy: -167.138
flat angles P-C4'-P energy: -109.007
tors. eta vs tors. theta energy: -250.600
Dist. restrs. and SS energy: 3.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -2606.321555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.321555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.602284 (E_RNA)
where:
Base-Base interactions energy: -1804.850
where: short stacking energy: -779.451
Base-Backbone interact. energy: -5.636
local terms energy: -800.116064
where:
bonds (distance) C4'-P energy: -136.792
bonds (distance) P-C4' energy: -135.176
flat angles C4'-P-C4' energy: -165.563
flat angles P-C4'-P energy: -119.327
tors. eta vs tors. theta energy: -243.258
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: 4, replica: 2
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -2531.712430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.712430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.346981 (E_RNA)
where:
Base-Base interactions energy: -1752.317
where: short stacking energy: -739.092
Base-Backbone interact. energy: 1.241
local terms energy: -789.271085
where:
bonds (distance) C4'-P energy: -140.013
bonds (distance) P-C4' energy: -147.251
flat angles C4'-P-C4' energy: -162.330
flat angles P-C4'-P energy: -102.745
tors. eta vs tors. theta energy: -236.931
Dist. restrs. and SS energy: 8.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -2438.262519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.262519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.846972 (E_RNA)
where:
Base-Base interactions energy: -1723.240
where: short stacking energy: -719.771
Base-Backbone interact. energy: 1.062
local terms energy: -719.669351
where:
bonds (distance) C4'-P energy: -118.153
bonds (distance) P-C4' energy: -136.313
flat angles C4'-P-C4' energy: -155.412
flat angles P-C4'-P energy: -104.000
tors. eta vs tors. theta energy: -205.791
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: 6, replica: 1
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -2312.020618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.020618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.532179 (E_RNA)
where:
Base-Base interactions energy: -1646.361
where: short stacking energy: -685.749
Base-Backbone interact. energy: -2.349
local terms energy: -678.822316
where:
bonds (distance) C4'-P energy: -122.219
bonds (distance) P-C4' energy: -103.588
flat angles C4'-P-C4' energy: -147.659
flat angles P-C4'-P energy: -97.259
tors. eta vs tors. theta energy: -208.097
Dist. restrs. and SS energy: 15.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -2299.243046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.243046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.319608 (E_RNA)
where:
Base-Base interactions energy: -1623.445
where: short stacking energy: -654.019
Base-Backbone interact. energy: 0.031
local terms energy: -680.906092
where:
bonds (distance) C4'-P energy: -112.919
bonds (distance) P-C4' energy: -120.658
flat angles C4'-P-C4' energy: -157.948
flat angles P-C4'-P energy: -87.158
tors. eta vs tors. theta energy: -202.224
Dist. restrs. and SS energy: 5.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -2204.564872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.564872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.742332 (E_RNA)
where:
Base-Base interactions energy: -1561.439
where: short stacking energy: -648.359
Base-Backbone interact. energy: -2.906
local terms energy: -654.398120
where:
bonds (distance) C4'-P energy: -99.472
bonds (distance) P-C4' energy: -116.763
flat angles C4'-P-C4' energy: -138.938
flat angles P-C4'-P energy: -99.986
tors. eta vs tors. theta energy: -199.239
Dist. restrs. and SS energy: 14.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -2005.685611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.685611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.415592 (E_RNA)
where:
Base-Base interactions energy: -1409.225
where: short stacking energy: -595.385
Base-Backbone interact. energy: 0.036
local terms energy: -608.225991
where:
bonds (distance) C4'-P energy: -102.604
bonds (distance) P-C4' energy: -111.118
flat angles C4'-P-C4' energy: -129.281
flat angles P-C4'-P energy: -93.121
tors. eta vs tors. theta energy: -172.101
Dist. restrs. and SS energy: 11.730 (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: 7
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -1890.847452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.847452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.971370 (E_RNA)
where:
Base-Base interactions energy: -1324.462
where: short stacking energy: -546.851
Base-Backbone interact. energy: -4.576
local terms energy: -587.933284
where:
bonds (distance) C4'-P energy: -124.528
bonds (distance) P-C4' energy: -101.827
flat angles C4'-P-C4' energy: -137.479
flat angles P-C4'-P energy: -72.101
tors. eta vs tors. theta energy: -151.999
Dist. restrs. and SS energy: 26.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -2805.243609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.243609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.252485 (E_RNA)
where:
Base-Base interactions energy: -1948.863
where: short stacking energy: -815.831
Base-Backbone interact. energy: -4.303
local terms energy: -854.086262
where:
bonds (distance) C4'-P energy: -140.668
bonds (distance) P-C4' energy: -160.850
flat angles C4'-P-C4' energy: -167.412
flat angles P-C4'-P energy: -126.037
tors. eta vs tors. theta energy: -259.118
Dist. restrs. and SS energy: 2.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -2742.078398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.078398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.119732 (E_RNA)
where:
Base-Base interactions energy: -1916.308
where: short stacking energy: -803.345
Base-Backbone interact. energy: -4.639
local terms energy: -824.172422
where:
bonds (distance) C4'-P energy: -143.764
bonds (distance) P-C4' energy: -139.922
flat angles C4'-P-C4' energy: -176.765
flat angles P-C4'-P energy: -108.420
tors. eta vs tors. theta energy: -255.301
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: 8
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -2626.269508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.269508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.460706 (E_RNA)
where:
Base-Base interactions energy: -1818.542
where: short stacking energy: -782.808
Base-Backbone interact. energy: -2.676
local terms energy: -807.242864
where:
bonds (distance) C4'-P energy: -139.849
bonds (distance) P-C4' energy: -147.294
flat angles C4'-P-C4' energy: -170.169
flat angles P-C4'-P energy: -115.985
tors. eta vs tors. theta energy: -233.946
Dist. restrs. and SS energy: 2.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -2526.476331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.476331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.139687 (E_RNA)
where:
Base-Base interactions energy: -1765.902
where: short stacking energy: -730.022
Base-Backbone interact. energy: -2.263
local terms energy: -763.974245
where:
bonds (distance) C4'-P energy: -138.617
bonds (distance) P-C4' energy: -147.826
flat angles C4'-P-C4' energy: -150.849
flat angles P-C4'-P energy: -106.393
tors. eta vs tors. theta energy: -220.289
Dist. restrs. and SS energy: 5.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -2443.425816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.425816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.127451 (E_RNA)
where:
Base-Base interactions energy: -1731.693
where: short stacking energy: -704.437
Base-Backbone interact. energy: -4.295
local terms energy: -713.139663
where:
bonds (distance) C4'-P energy: -122.117
bonds (distance) P-C4' energy: -132.830
flat angles C4'-P-C4' energy: -141.092
flat angles P-C4'-P energy: -110.913
tors. eta vs tors. theta energy: -206.188
Dist. restrs. and SS energy: 5.702 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -2310.953002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.953002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.341836 (E_RNA)
where:
Base-Base interactions energy: -1629.456
where: short stacking energy: -679.300
Base-Backbone interact. energy: 1.364
local terms energy: -688.249871
where:
bonds (distance) C4'-P energy: -117.365
bonds (distance) P-C4' energy: -134.375
flat angles C4'-P-C4' energy: -146.583
flat angles P-C4'-P energy: -89.657
tors. eta vs tors. theta energy: -200.271
Dist. restrs. and SS energy: 5.389 (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: 6
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -2345.285947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.285947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.943346 (E_RNA)
where:
Base-Base interactions energy: -1659.401
where: short stacking energy: -671.500
Base-Backbone interact. energy: -1.535
local terms energy: -689.008153
where:
bonds (distance) C4'-P energy: -115.618
bonds (distance) P-C4' energy: -125.057
flat angles C4'-P-C4' energy: -146.267
flat angles P-C4'-P energy: -101.115
tors. eta vs tors. theta energy: -200.951
Dist. restrs. and SS energy: 4.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -2245.076791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.076791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.363621 (E_RNA)
where:
Base-Base interactions energy: -1588.839
where: short stacking energy: -672.800
Base-Backbone interact. energy: 1.139
local terms energy: -666.663929
where:
bonds (distance) C4'-P energy: -114.477
bonds (distance) P-C4' energy: -130.786
flat angles C4'-P-C4' energy: -142.924
flat angles P-C4'-P energy: -78.511
tors. eta vs tors. theta energy: -199.966
Dist. restrs. and SS energy: 9.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -1981.260353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.260353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.641554 (E_RNA)
where:
Base-Base interactions energy: -1389.663
where: short stacking energy: -573.089
Base-Backbone interact. energy: -0.802
local terms energy: -620.177106
where:
bonds (distance) C4'-P energy: -119.555
bonds (distance) P-C4' energy: -121.233
flat angles C4'-P-C4' energy: -142.758
flat angles P-C4'-P energy: -87.267
tors. eta vs tors. theta energy: -149.365
Dist. restrs. and SS energy: 29.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -1892.363780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.363780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.879414 (E_RNA)
where:
Base-Base interactions energy: -1330.546
where: short stacking energy: -566.126
Base-Backbone interact. energy: -0.361
local terms energy: -594.973255
where:
bonds (distance) C4'-P energy: -107.600
bonds (distance) P-C4' energy: -118.293
flat angles C4'-P-C4' energy: -135.829
flat angles P-C4'-P energy: -71.495
tors. eta vs tors. theta energy: -161.756
Dist. restrs. and SS energy: 33.516 (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: 3
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -2810.142401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.142401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.291321 (E_RNA)
where:
Base-Base interactions energy: -1974.299
where: short stacking energy: -840.507
Base-Backbone interact. energy: -5.180
local terms energy: -833.812116
where:
bonds (distance) C4'-P energy: -134.769
bonds (distance) P-C4' energy: -147.528
flat angles C4'-P-C4' energy: -183.005
flat angles P-C4'-P energy: -108.891
tors. eta vs tors. theta energy: -259.619
Dist. restrs. and SS energy: 3.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -2723.753808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.753808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.454232 (E_RNA)
where:
Base-Base interactions energy: -1906.173
where: short stacking energy: -834.482
Base-Backbone interact. energy: -1.781
local terms energy: -819.500230
where:
bonds (distance) C4'-P energy: -144.946
bonds (distance) P-C4' energy: -133.770
flat angles C4'-P-C4' energy: -173.455
flat angles P-C4'-P energy: -108.486
tors. eta vs tors. theta energy: -258.843
Dist. restrs. and SS energy: 3.700 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -2624.702561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.702561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.731133 (E_RNA)
where:
Base-Base interactions energy: -1855.594
where: short stacking energy: -779.204
Base-Backbone interact. energy: -4.136
local terms energy: -772.000412
where:
bonds (distance) C4'-P energy: -117.788
bonds (distance) P-C4' energy: -148.555
flat angles C4'-P-C4' energy: -162.616
flat angles P-C4'-P energy: -111.089
tors. eta vs tors. theta energy: -231.953
Dist. restrs. and SS energy: 7.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -2530.473592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.473592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.741050 (E_RNA)
where:
Base-Base interactions energy: -1766.677
where: short stacking energy: -721.809
Base-Backbone interact. energy: -0.820
local terms energy: -766.244265
where:
bonds (distance) C4'-P energy: -126.471
bonds (distance) P-C4' energy: -143.522
flat angles C4'-P-C4' energy: -170.369
flat angles P-C4'-P energy: -99.168
tors. eta vs tors. theta energy: -226.715
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: 5, replica: 5
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -2427.238371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.238371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.577535 (E_RNA)
where:
Base-Base interactions energy: -1724.077
where: short stacking energy: -721.458
Base-Backbone interact. energy: -1.472
local terms energy: -705.027643
where:
bonds (distance) C4'-P energy: -127.432
bonds (distance) P-C4' energy: -131.927
flat angles C4'-P-C4' energy: -154.122
flat angles P-C4'-P energy: -91.834
tors. eta vs tors. theta energy: -199.712
Dist. restrs. and SS energy: 3.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -2285.825990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.825990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.807759 (E_RNA)
where:
Base-Base interactions energy: -1597.447
where: short stacking energy: -667.269
Base-Backbone interact. energy: 4.383
local terms energy: -699.743722
where:
bonds (distance) C4'-P energy: -113.455
bonds (distance) P-C4' energy: -132.107
flat angles C4'-P-C4' energy: -157.402
flat angles P-C4'-P energy: -99.353
tors. eta vs tors. theta energy: -197.428
Dist. restrs. and SS energy: 6.982 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -2341.788689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.788689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.187881 (E_RNA)
where:
Base-Base interactions energy: -1631.663
where: short stacking energy: -694.050
Base-Backbone interact. energy: -2.549
local terms energy: -713.975921
where:
bonds (distance) C4'-P energy: -115.440
bonds (distance) P-C4' energy: -129.530
flat angles C4'-P-C4' energy: -169.312
flat angles P-C4'-P energy: -88.357
tors. eta vs tors. theta energy: -211.337
Dist. restrs. and SS energy: 6.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -2182.354917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.354917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.839907 (E_RNA)
where:
Base-Base interactions energy: -1511.744
where: short stacking energy: -634.616
Base-Backbone interact. energy: -1.645
local terms energy: -679.450962
where:
bonds (distance) C4'-P energy: -106.309
bonds (distance) P-C4' energy: -136.182
flat angles C4'-P-C4' energy: -137.306
flat angles P-C4'-P energy: -97.619
tors. eta vs tors. theta energy: -202.035
Dist. restrs. and SS energy: 10.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -1964.129500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.129500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.772741 (E_RNA)
where:
Base-Base interactions energy: -1377.259
where: short stacking energy: -570.083
Base-Backbone interact. energy: -1.036
local terms energy: -616.477718
where:
bonds (distance) C4'-P energy: -117.876
bonds (distance) P-C4' energy: -134.244
flat angles C4'-P-C4' energy: -127.644
flat angles P-C4'-P energy: -78.480
tors. eta vs tors. theta energy: -158.235
Dist. restrs. and SS energy: 30.643 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -1920.316780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.316780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.459467 (E_RNA)
where:
Base-Base interactions energy: -1358.350
where: short stacking energy: -558.166
Base-Backbone interact. energy: -2.109
local terms energy: -577.000305
where:
bonds (distance) C4'-P energy: -97.498
bonds (distance) P-C4' energy: -135.863
flat angles C4'-P-C4' energy: -121.492
flat angles P-C4'-P energy: -80.176
tors. eta vs tors. theta energy: -141.971
Dist. restrs. and SS energy: 17.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -2800.486060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.486060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.216892 (E_RNA)
where:
Base-Base interactions energy: -1947.364
where: short stacking energy: -839.253
Base-Backbone interact. energy: -2.067
local terms energy: -854.786214
where:
bonds (distance) C4'-P energy: -142.735
bonds (distance) P-C4' energy: -147.073
flat angles C4'-P-C4' energy: -168.624
flat angles P-C4'-P energy: -133.763
tors. eta vs tors. theta energy: -262.591
Dist. restrs. and SS energy: 3.731 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -2718.957299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.957299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.308302 (E_RNA)
where:
Base-Base interactions energy: -1907.393
where: short stacking energy: -818.780
Base-Backbone interact. energy: -4.719
local terms energy: -810.195528
where:
bonds (distance) C4'-P energy: -129.567
bonds (distance) P-C4' energy: -149.356
flat angles C4'-P-C4' energy: -165.050
flat angles P-C4'-P energy: -121.348
tors. eta vs tors. theta energy: -244.875
Dist. restrs. and SS energy: 3.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -2619.988952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.988952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.176965 (E_RNA)
where:
Base-Base interactions energy: -1821.549
where: short stacking energy: -776.550
Base-Backbone interact. energy: -1.415
local terms energy: -799.213198
where:
bonds (distance) C4'-P energy: -149.722
bonds (distance) P-C4' energy: -144.838
flat angles C4'-P-C4' energy: -159.227
flat angles P-C4'-P energy: -110.286
tors. eta vs tors. theta energy: -235.139
Dist. restrs. and SS energy: 2.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -2528.742238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.742238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.478292 (E_RNA)
where:
Base-Base interactions energy: -1781.333
where: short stacking energy: -756.666
Base-Backbone interact. energy: -0.684
local terms energy: -751.460876
where:
bonds (distance) C4'-P energy: -133.924
bonds (distance) P-C4' energy: -127.250
flat angles C4'-P-C4' energy: -162.534
flat angles P-C4'-P energy: -86.882
tors. eta vs tors. theta energy: -240.870
Dist. restrs. and SS energy: 4.736 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -2432.694802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.694802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.188259 (E_RNA)
where:
Base-Base interactions energy: -1701.248
where: short stacking energy: -712.452
Base-Backbone interact. energy: -1.595
local terms energy: -733.345840
where:
bonds (distance) C4'-P energy: -121.922
bonds (distance) P-C4' energy: -142.848
flat angles C4'-P-C4' energy: -149.595
flat angles P-C4'-P energy: -108.404
tors. eta vs tors. theta energy: -210.576
Dist. restrs. and SS energy: 3.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -2323.165847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.165847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.168135 (E_RNA)
where:
Base-Base interactions energy: -1626.420
where: short stacking energy: -711.672
Base-Backbone interact. energy: -3.319
local terms energy: -700.429499
where:
bonds (distance) C4'-P energy: -122.681
bonds (distance) P-C4' energy: -127.260
flat angles C4'-P-C4' energy: -132.743
flat angles P-C4'-P energy: -97.591
tors. eta vs tors. theta energy: -220.155
Dist. restrs. and SS energy: 7.002 (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: 6
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -2324.362893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.362893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.158733 (E_RNA)
where:
Base-Base interactions energy: -1655.663
where: short stacking energy: -679.742
Base-Backbone interact. energy: -0.822
local terms energy: -679.673872
where:
bonds (distance) C4'-P energy: -111.135
bonds (distance) P-C4' energy: -133.894
flat angles C4'-P-C4' energy: -148.865
flat angles P-C4'-P energy: -84.162
tors. eta vs tors. theta energy: -201.618
Dist. restrs. and SS energy: 11.796 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -2206.259189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.259189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.149849 (E_RNA)
where:
Base-Base interactions energy: -1549.405
where: short stacking energy: -658.533
Base-Backbone interact. energy: 0.733
local terms energy: -674.477826
where:
bonds (distance) C4'-P energy: -129.232
bonds (distance) P-C4' energy: -126.019
flat angles C4'-P-C4' energy: -138.253
flat angles P-C4'-P energy: -88.737
tors. eta vs tors. theta energy: -192.238
Dist. restrs. and SS energy: 16.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -1984.409996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.409996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.097994 (E_RNA)
where:
Base-Base interactions energy: -1399.094
where: short stacking energy: -577.820
Base-Backbone interact. energy: 6.102
local terms energy: -616.105888
where:
bonds (distance) C4'-P energy: -111.334
bonds (distance) P-C4' energy: -128.437
flat angles C4'-P-C4' energy: -138.784
flat angles P-C4'-P energy: -80.504
tors. eta vs tors. theta energy: -157.047
Dist. restrs. and SS energy: 24.688 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -1886.865143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.865143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.483402 (E_RNA)
where:
Base-Base interactions energy: -1355.719
where: short stacking energy: -559.377
Base-Backbone interact. energy: 1.454
local terms energy: -551.218087
where:
bonds (distance) C4'-P energy: -104.161
bonds (distance) P-C4' energy: -106.534
flat angles C4'-P-C4' energy: -112.080
flat angles P-C4'-P energy: -72.378
tors. eta vs tors. theta energy: -156.065
Dist. restrs. and SS energy: 18.618 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -2819.175491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2819.175491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2822.820146 (E_RNA)
where:
Base-Base interactions energy: -1970.280
where: short stacking energy: -804.013
Base-Backbone interact. energy: -2.310
local terms energy: -850.230206
where:
bonds (distance) C4'-P energy: -154.252
bonds (distance) P-C4' energy: -147.062
flat angles C4'-P-C4' energy: -175.841
flat angles P-C4'-P energy: -125.629
tors. eta vs tors. theta energy: -247.446
Dist. restrs. and SS energy: 3.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -2716.490825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.490825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.956141 (E_RNA)
where:
Base-Base interactions energy: -1898.434
where: short stacking energy: -818.055
Base-Backbone interact. energy: -2.228
local terms energy: -818.294200
where:
bonds (distance) C4'-P energy: -138.970
bonds (distance) P-C4' energy: -133.617
flat angles C4'-P-C4' energy: -173.829
flat angles P-C4'-P energy: -121.946
tors. eta vs tors. theta energy: -249.931
Dist. restrs. and SS energy: 2.465 (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: 298
Temperature: 1.000000
Total energy: -2590.116385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.116385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.502515 (E_RNA)
where:
Base-Base interactions energy: -1813.459
where: short stacking energy: -778.044
Base-Backbone interact. energy: -1.359
local terms energy: -778.685227
where:
bonds (distance) C4'-P energy: -141.272
bonds (distance) P-C4' energy: -128.437
flat angles C4'-P-C4' energy: -164.158
flat angles P-C4'-P energy: -112.425
tors. eta vs tors. theta energy: -232.393
Dist. restrs. and SS energy: 3.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -2520.213225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.213225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.825040 (E_RNA)
where:
Base-Base interactions energy: -1759.522
where: short stacking energy: -753.268
Base-Backbone interact. energy: 0.059
local terms energy: -767.362035
where:
bonds (distance) C4'-P energy: -137.203
bonds (distance) P-C4' energy: -119.382
flat angles C4'-P-C4' energy: -168.351
flat angles P-C4'-P energy: -119.875
tors. eta vs tors. theta energy: -222.549
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: 5, replica: 5
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -2411.764286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.764286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.122500 (E_RNA)
where:
Base-Base interactions energy: -1707.356
where: short stacking energy: -712.125
Base-Backbone interact. energy: 1.956
local terms energy: -708.722130
where:
bonds (distance) C4'-P energy: -129.898
bonds (distance) P-C4' energy: -133.610
flat angles C4'-P-C4' energy: -142.008
flat angles P-C4'-P energy: -95.447
tors. eta vs tors. theta energy: -207.759
Dist. restrs. and SS energy: 2.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -2331.543986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.543986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.224703 (E_RNA)
where:
Base-Base interactions energy: -1620.127
where: short stacking energy: -691.051
Base-Backbone interact. energy: -1.991
local terms energy: -716.106792
where:
bonds (distance) C4'-P energy: -123.827
bonds (distance) P-C4' energy: -130.156
flat angles C4'-P-C4' energy: -152.516
flat angles P-C4'-P energy: -101.617
tors. eta vs tors. theta energy: -207.991
Dist. restrs. and SS energy: 6.681 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -2338.842822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.842822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.742661 (E_RNA)
where:
Base-Base interactions energy: -1639.590
where: short stacking energy: -692.266
Base-Backbone interact. energy: -5.434
local terms energy: -699.718456
where:
bonds (distance) C4'-P energy: -123.354
bonds (distance) P-C4' energy: -117.719
flat angles C4'-P-C4' energy: -157.226
flat angles P-C4'-P energy: -97.916
tors. eta vs tors. theta energy: -203.505
Dist. restrs. and SS energy: 5.900 (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: 9
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -2213.720390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.720390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.956183 (E_RNA)
where:
Base-Base interactions energy: -1581.484
where: short stacking energy: -679.718
Base-Backbone interact. energy: 5.928
local terms energy: -653.399621
where:
bonds (distance) C4'-P energy: -109.551
bonds (distance) P-C4' energy: -111.955
flat angles C4'-P-C4' energy: -148.500
flat angles P-C4'-P energy: -87.474
tors. eta vs tors. theta energy: -195.920
Dist. restrs. and SS energy: 15.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -1966.943657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.943657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.176121 (E_RNA)
where:
Base-Base interactions energy: -1419.605
where: short stacking energy: -605.671
Base-Backbone interact. energy: -5.303
local terms energy: -565.268505
where:
bonds (distance) C4'-P energy: -94.548
bonds (distance) P-C4' energy: -92.313
flat angles C4'-P-C4' energy: -136.813
flat angles P-C4'-P energy: -79.409
tors. eta vs tors. theta energy: -162.185
Dist. restrs. and SS energy: 23.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -2001.674677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.674677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.084638 (E_RNA)
where:
Base-Base interactions energy: -1417.220
where: short stacking energy: -627.025
Base-Backbone interact. energy: 0.448
local terms energy: -604.311806
where:
bonds (distance) C4'-P energy: -95.310
bonds (distance) P-C4' energy: -95.949
flat angles C4'-P-C4' energy: -151.108
flat angles P-C4'-P energy: -81.935
tors. eta vs tors. theta energy: -180.011
Dist. restrs. and SS energy: 19.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -2817.814828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.814828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2820.670301 (E_RNA)
where:
Base-Base interactions energy: -2001.259
where: short stacking energy: -833.533
Base-Backbone interact. energy: -3.791
local terms energy: -815.620758
where:
bonds (distance) C4'-P energy: -147.859
bonds (distance) P-C4' energy: -126.432
flat angles C4'-P-C4' energy: -169.201
flat angles P-C4'-P energy: -126.420
tors. eta vs tors. theta energy: -245.709
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: 10
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -2734.589706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.589706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.541452 (E_RNA)
where:
Base-Base interactions energy: -1885.472
where: short stacking energy: -814.395
Base-Backbone interact. energy: -1.930
local terms energy: -851.140126
where:
bonds (distance) C4'-P energy: -146.606
bonds (distance) P-C4' energy: -148.921
flat angles C4'-P-C4' energy: -164.612
flat angles P-C4'-P energy: -120.691
tors. eta vs tors. theta energy: -270.310
Dist. restrs. and SS energy: 3.952 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -2617.385643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.385643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.469687 (E_RNA)
where:
Base-Base interactions energy: -1847.371
where: short stacking energy: -771.911
Base-Backbone interact. energy: 0.638
local terms energy: -773.737450
where:
bonds (distance) C4'-P energy: -137.565
bonds (distance) P-C4' energy: -134.524
flat angles C4'-P-C4' energy: -160.581
flat angles P-C4'-P energy: -109.695
tors. eta vs tors. theta energy: -231.372
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: 2
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -2501.254824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.254824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.981498 (E_RNA)
where:
Base-Base interactions energy: -1734.132
where: short stacking energy: -747.033
Base-Backbone interact. energy: 3.380
local terms energy: -780.229680
where:
bonds (distance) C4'-P energy: -152.696
bonds (distance) P-C4' energy: -148.184
flat angles C4'-P-C4' energy: -143.600
flat angles P-C4'-P energy: -102.050
tors. eta vs tors. theta energy: -233.700
Dist. restrs. and SS energy: 9.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -2439.839772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.839772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.428376 (E_RNA)
where:
Base-Base interactions energy: -1731.629
where: short stacking energy: -731.329
Base-Backbone interact. energy: 1.848
local terms energy: -713.647190
where:
bonds (distance) C4'-P energy: -137.662
bonds (distance) P-C4' energy: -119.478
flat angles C4'-P-C4' energy: -147.876
flat angles P-C4'-P energy: -102.120
tors. eta vs tors. theta energy: -206.512
Dist. restrs. and SS energy: 3.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -2347.673781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.673781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.535293 (E_RNA)
where:
Base-Base interactions energy: -1663.754
where: short stacking energy: -702.342
Base-Backbone interact. energy: -0.727
local terms energy: -692.054780
where:
bonds (distance) C4'-P energy: -120.611
bonds (distance) P-C4' energy: -116.480
flat angles C4'-P-C4' energy: -154.330
flat angles P-C4'-P energy: -95.694
tors. eta vs tors. theta energy: -204.939
Dist. restrs. and SS energy: 8.862 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -2312.708010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.708010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.337551 (E_RNA)
where:
Base-Base interactions energy: -1642.117
where: short stacking energy: -698.000
Base-Backbone interact. energy: -1.391
local terms energy: -674.829487
where:
bonds (distance) C4'-P energy: -112.950
bonds (distance) P-C4' energy: -130.002
flat angles C4'-P-C4' energy: -141.807
flat angles P-C4'-P energy: -91.570
tors. eta vs tors. theta energy: -198.500
Dist. restrs. and SS energy: 5.630 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -2182.135018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.135018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.284965 (E_RNA)
where:
Base-Base interactions energy: -1532.120
where: short stacking energy: -647.656
Base-Backbone interact. energy: 2.131
local terms energy: -666.295577
where:
bonds (distance) C4'-P energy: -125.012
bonds (distance) P-C4' energy: -121.664
flat angles C4'-P-C4' energy: -143.320
flat angles P-C4'-P energy: -78.601
tors. eta vs tors. theta energy: -197.699
Dist. restrs. and SS energy: 14.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -2018.399570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.399570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.936625 (E_RNA)
where:
Base-Base interactions energy: -1414.942
where: short stacking energy: -597.614
Base-Backbone interact. energy: -0.605
local terms energy: -621.389478
where:
bonds (distance) C4'-P energy: -106.194
bonds (distance) P-C4' energy: -119.409
flat angles C4'-P-C4' energy: -126.450
flat angles P-C4'-P energy: -92.431
tors. eta vs tors. theta energy: -176.906
Dist. restrs. and SS energy: 18.537 (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: 4
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -1939.340054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.340054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.202517 (E_RNA)
where:
Base-Base interactions energy: -1374.268
where: short stacking energy: -578.414
Base-Backbone interact. energy: -1.090
local terms energy: -586.844947
where:
bonds (distance) C4'-P energy: -108.047
bonds (distance) P-C4' energy: -107.107
flat angles C4'-P-C4' energy: -134.373
flat angles P-C4'-P energy: -86.687
tors. eta vs tors. theta energy: -150.630
Dist. restrs. and SS energy: 22.862 (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: 3
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -2805.024727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.024727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.165472 (E_RNA)
where:
Base-Base interactions energy: -1960.567
where: short stacking energy: -820.989
Base-Backbone interact. energy: -4.623
local terms energy: -842.975675
where:
bonds (distance) C4'-P energy: -140.671
bonds (distance) P-C4' energy: -145.395
flat angles C4'-P-C4' energy: -186.451
flat angles P-C4'-P energy: -120.572
tors. eta vs tors. theta energy: -249.887
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: 10
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -2732.501248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.501248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.870199 (E_RNA)
where:
Base-Base interactions energy: -1905.225
where: short stacking energy: -802.489
Base-Backbone interact. energy: -1.673
local terms energy: -828.971848
where:
bonds (distance) C4'-P energy: -149.538
bonds (distance) P-C4' energy: -150.616
flat angles C4'-P-C4' energy: -166.643
flat angles P-C4'-P energy: -106.161
tors. eta vs tors. theta energy: -256.015
Dist. restrs. and SS energy: 3.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -2617.000644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.000644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.759809 (E_RNA)
where:
Base-Base interactions energy: -1846.434
where: short stacking energy: -779.462
Base-Backbone interact. energy: -1.666
local terms energy: -771.660255
where:
bonds (distance) C4'-P energy: -125.342
bonds (distance) P-C4' energy: -137.405
flat angles C4'-P-C4' energy: -151.059
flat angles P-C4'-P energy: -110.138
tors. eta vs tors. theta energy: -247.716
Dist. restrs. and SS energy: 2.759 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -2501.724701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.724701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.018982 (E_RNA)
where:
Base-Base interactions energy: -1756.730
where: short stacking energy: -740.565
Base-Backbone interact. energy: 1.553
local terms energy: -752.842352
where:
bonds (distance) C4'-P energy: -120.310
bonds (distance) P-C4' energy: -138.414
flat angles C4'-P-C4' energy: -160.413
flat angles P-C4'-P energy: -109.772
tors. eta vs tors. theta energy: -223.934
Dist. restrs. and SS energy: 6.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -2474.904221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.904221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.257754 (E_RNA)
where:
Base-Base interactions energy: -1742.259
where: short stacking energy: -738.068
Base-Backbone interact. energy: -1.811
local terms energy: -734.186884
where:
bonds (distance) C4'-P energy: -115.922
bonds (distance) P-C4' energy: -134.484
flat angles C4'-P-C4' energy: -158.819
flat angles P-C4'-P energy: -103.165
tors. eta vs tors. theta energy: -221.798
Dist. restrs. and SS energy: 3.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -2314.788438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.788438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.871282 (E_RNA)
where:
Base-Base interactions energy: -1641.261
where: short stacking energy: -676.880
Base-Backbone interact. energy: -2.324
local terms energy: -679.286773
where:
bonds (distance) C4'-P energy: -115.642
bonds (distance) P-C4' energy: -121.059
flat angles C4'-P-C4' energy: -153.794
flat angles P-C4'-P energy: -95.171
tors. eta vs tors. theta energy: -193.620
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: 7, replica: 9
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -2250.306590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.306590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.059969 (E_RNA)
where:
Base-Base interactions energy: -1590.446
where: short stacking energy: -679.869
Base-Backbone interact. energy: 3.245
local terms energy: -675.858990
where:
bonds (distance) C4'-P energy: -114.608
bonds (distance) P-C4' energy: -121.996
flat angles C4'-P-C4' energy: -148.832
flat angles P-C4'-P energy: -87.099
tors. eta vs tors. theta energy: -203.323
Dist. restrs. and SS energy: 12.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -2239.061196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.061196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.241675 (E_RNA)
where:
Base-Base interactions energy: -1557.379
where: short stacking energy: -620.825
Base-Backbone interact. energy: 5.066
local terms energy: -689.928631
where:
bonds (distance) C4'-P energy: -117.416
bonds (distance) P-C4' energy: -129.968
flat angles C4'-P-C4' energy: -159.776
flat angles P-C4'-P energy: -96.253
tors. eta vs tors. theta energy: -186.516
Dist. restrs. and SS energy: 3.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -1968.492867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.492867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.292914 (E_RNA)
where:
Base-Base interactions energy: -1377.242
where: short stacking energy: -568.309
Base-Backbone interact. energy: 0.381
local terms energy: -611.431978
where:
bonds (distance) C4'-P energy: -104.882
bonds (distance) P-C4' energy: -121.892
flat angles C4'-P-C4' energy: -129.835
flat angles P-C4'-P energy: -92.293
tors. eta vs tors. theta energy: -162.530
Dist. restrs. and SS energy: 19.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -1933.580741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.580741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.202218 (E_RNA)
where:
Base-Base interactions energy: -1385.287
where: short stacking energy: -541.874
Base-Backbone interact. energy: 0.474
local terms energy: -574.388621
where:
bonds (distance) C4'-P energy: -103.575
bonds (distance) P-C4' energy: -103.629
flat angles C4'-P-C4' energy: -112.816
flat angles P-C4'-P energy: -96.397
tors. eta vs tors. theta energy: -157.972
Dist. restrs. and SS energy: 25.621 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -2789.256241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2789.256241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.980136 (E_RNA)
where:
Base-Base interactions energy: -1991.233
where: short stacking energy: -818.723
Base-Backbone interact. energy: -2.123
local terms energy: -802.624009
where:
bonds (distance) C4'-P energy: -137.205
bonds (distance) P-C4' energy: -136.298
flat angles C4'-P-C4' energy: -170.121
flat angles P-C4'-P energy: -117.108
tors. eta vs tors. theta energy: -241.892
Dist. restrs. and SS energy: 6.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -2700.262515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.262515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.673750 (E_RNA)
where:
Base-Base interactions energy: -1887.580
where: short stacking energy: -802.071
Base-Backbone interact. energy: -2.047
local terms energy: -815.046834
where:
bonds (distance) C4'-P energy: -133.660
bonds (distance) P-C4' energy: -134.699
flat angles C4'-P-C4' energy: -171.705
flat angles P-C4'-P energy: -119.927
tors. eta vs tors. theta energy: -255.056
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: 3, replica: 8
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -2607.498919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.498919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.123909 (E_RNA)
where:
Base-Base interactions energy: -1861.637
where: short stacking energy: -791.252
Base-Backbone interact. energy: -3.767
local terms energy: -748.720505
where:
bonds (distance) C4'-P energy: -121.552
bonds (distance) P-C4' energy: -137.392
flat angles C4'-P-C4' energy: -152.861
flat angles P-C4'-P energy: -104.523
tors. eta vs tors. theta energy: -232.392
Dist. restrs. and SS energy: 6.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -2491.234169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.234169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.793776 (E_RNA)
where:
Base-Base interactions energy: -1737.842
where: short stacking energy: -726.938
Base-Backbone interact. energy: -0.856
local terms energy: -759.095703
where:
bonds (distance) C4'-P energy: -136.422
bonds (distance) P-C4' energy: -144.292
flat angles C4'-P-C4' energy: -163.383
flat angles P-C4'-P energy: -106.106
tors. eta vs tors. theta energy: -208.894
Dist. restrs. and SS energy: 6.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -2409.537601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.537601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.948692 (E_RNA)
where:
Base-Base interactions energy: -1673.660
where: short stacking energy: -682.178
Base-Backbone interact. energy: -1.163
local terms energy: -738.126301
where:
bonds (distance) C4'-P energy: -128.151
bonds (distance) P-C4' energy: -148.981
flat angles C4'-P-C4' energy: -156.595
flat angles P-C4'-P energy: -95.496
tors. eta vs tors. theta energy: -208.903
Dist. restrs. and SS energy: 3.411 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -2345.481779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.481779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.150054 (E_RNA)
where:
Base-Base interactions energy: -1630.206
where: short stacking energy: -695.800
Base-Backbone interact. energy: -2.609
local terms energy: -722.334911
where:
bonds (distance) C4'-P energy: -126.793
bonds (distance) P-C4' energy: -124.232
flat angles C4'-P-C4' energy: -161.175
flat angles P-C4'-P energy: -108.615
tors. eta vs tors. theta energy: -201.520
Dist. restrs. and SS energy: 9.668 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -2237.320900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.320900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.929581 (E_RNA)
where:
Base-Base interactions energy: -1588.053
where: short stacking energy: -656.617
Base-Backbone interact. energy: -0.805
local terms energy: -666.071269
where:
bonds (distance) C4'-P energy: -103.532
bonds (distance) P-C4' energy: -140.116
flat angles C4'-P-C4' energy: -152.245
flat angles P-C4'-P energy: -84.042
tors. eta vs tors. theta energy: -186.136
Dist. restrs. and SS energy: 17.609 (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: 6
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -2248.128240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.128240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.362856 (E_RNA)
where:
Base-Base interactions energy: -1605.769
where: short stacking energy: -653.840
Base-Backbone interact. energy: -2.305
local terms energy: -651.289024
where:
bonds (distance) C4'-P energy: -114.363
bonds (distance) P-C4' energy: -112.077
flat angles C4'-P-C4' energy: -152.403
flat angles P-C4'-P energy: -79.494
tors. eta vs tors. theta energy: -192.952
Dist. restrs. and SS energy: 11.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -1949.053668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.053668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.643343 (E_RNA)
where:
Base-Base interactions energy: -1374.772
where: short stacking energy: -590.971
Base-Backbone interact. energy: -2.307
local terms energy: -600.564127
where:
bonds (distance) C4'-P energy: -108.022
bonds (distance) P-C4' energy: -120.982
flat angles C4'-P-C4' energy: -135.430
flat angles P-C4'-P energy: -78.619
tors. eta vs tors. theta energy: -157.511
Dist. restrs. and SS energy: 28.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -1964.092106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.092106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.790832 (E_RNA)
where:
Base-Base interactions energy: -1390.354
where: short stacking energy: -612.026
Base-Backbone interact. energy: 2.441
local terms energy: -593.878719
where:
bonds (distance) C4'-P energy: -105.392
bonds (distance) P-C4' energy: -112.064
flat angles C4'-P-C4' energy: -132.981
flat angles P-C4'-P energy: -84.052
tors. eta vs tors. theta energy: -159.390
Dist. restrs. and SS energy: 17.699 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -2805.971332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.971332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.605971 (E_RNA)
where:
Base-Base interactions energy: -1976.224
where: short stacking energy: -832.453
Base-Backbone interact. energy: 3.330
local terms energy: -836.712444
where:
bonds (distance) C4'-P energy: -142.264
bonds (distance) P-C4' energy: -145.119
flat angles C4'-P-C4' energy: -170.552
flat angles P-C4'-P energy: -127.132
tors. eta vs tors. theta energy: -251.645
Dist. restrs. and SS energy: 3.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -2727.141422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.141422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.038609 (E_RNA)
where:
Base-Base interactions energy: -1898.049
where: short stacking energy: -814.264
Base-Backbone interact. energy: -4.183
local terms energy: -827.806689
where:
bonds (distance) C4'-P energy: -144.330
bonds (distance) P-C4' energy: -146.687
flat angles C4'-P-C4' energy: -170.385
flat angles P-C4'-P energy: -121.441
tors. eta vs tors. theta energy: -244.963
Dist. restrs. and SS energy: 2.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -2616.227062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.227062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.710895 (E_RNA)
where:
Base-Base interactions energy: -1852.419
where: short stacking energy: -766.651
Base-Backbone interact. energy: -2.981
local terms energy: -769.311198
where:
bonds (distance) C4'-P energy: -118.815
bonds (distance) P-C4' energy: -145.643
flat angles C4'-P-C4' energy: -156.002
flat angles P-C4'-P energy: -106.326
tors. eta vs tors. theta energy: -242.525
Dist. restrs. and SS energy: 8.484 (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: 2
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -2497.894929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.894929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.266286 (E_RNA)
where:
Base-Base interactions energy: -1753.619
where: short stacking energy: -748.241
Base-Backbone interact. energy: -3.261
local terms energy: -747.386336
where:
bonds (distance) C4'-P energy: -122.283
bonds (distance) P-C4' energy: -137.526
flat angles C4'-P-C4' energy: -155.967
flat angles P-C4'-P energy: -102.066
tors. eta vs tors. theta energy: -229.544
Dist. restrs. and SS energy: 6.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -2454.360619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.360619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.115640 (E_RNA)
where:
Base-Base interactions energy: -1733.647
where: short stacking energy: -704.128
Base-Backbone interact. energy: 0.937
local terms energy: -725.405691
where:
bonds (distance) C4'-P energy: -124.127
bonds (distance) P-C4' energy: -118.584
flat angles C4'-P-C4' energy: -161.238
flat angles P-C4'-P energy: -113.591
tors. eta vs tors. theta energy: -207.865
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: 6, replica: 1
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -2345.083824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.083824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.612101 (E_RNA)
where:
Base-Base interactions energy: -1680.635
where: short stacking energy: -729.524
Base-Backbone interact. energy: -2.286
local terms energy: -669.690620
where:
bonds (distance) C4'-P energy: -93.324
bonds (distance) P-C4' energy: -127.752
flat angles C4'-P-C4' energy: -146.822
flat angles P-C4'-P energy: -106.763
tors. eta vs tors. theta energy: -195.029
Dist. restrs. and SS energy: 7.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -2237.997468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.997468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.472773 (E_RNA)
where:
Base-Base interactions energy: -1613.447
where: short stacking energy: -655.944
Base-Backbone interact. energy: 6.541
local terms energy: -645.566578
where:
bonds (distance) C4'-P energy: -117.694
bonds (distance) P-C4' energy: -99.294
flat angles C4'-P-C4' energy: -157.861
flat angles P-C4'-P energy: -81.532
tors. eta vs tors. theta energy: -189.186
Dist. restrs. and SS energy: 14.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -2201.206131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.206131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.425651 (E_RNA)
where:
Base-Base interactions energy: -1573.812
where: short stacking energy: -655.127
Base-Backbone interact. energy: 0.316
local terms energy: -634.929997
where:
bonds (distance) C4'-P energy: -95.673
bonds (distance) P-C4' energy: -128.951
flat angles C4'-P-C4' energy: -143.725
flat angles P-C4'-P energy: -80.466
tors. eta vs tors. theta energy: -186.114
Dist. restrs. and SS energy: 7.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -1953.802819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.802819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.894532 (E_RNA)
where:
Base-Base interactions energy: -1363.912
where: short stacking energy: -604.923
Base-Backbone interact. energy: -3.127
local terms energy: -615.855882
where:
bonds (distance) C4'-P energy: -118.639
bonds (distance) P-C4' energy: -112.555
flat angles C4'-P-C4' energy: -147.821
flat angles P-C4'-P energy: -77.126
tors. eta vs tors. theta energy: -159.715
Dist. restrs. and SS energy: 29.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -1961.854506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.854506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.633468 (E_RNA)
where:
Base-Base interactions energy: -1372.333
where: short stacking energy: -548.427
Base-Backbone interact. energy: 2.564
local terms energy: -601.865018
where:
bonds (distance) C4'-P energy: -101.521
bonds (distance) P-C4' energy: -118.544
flat angles C4'-P-C4' energy: -132.646
flat angles P-C4'-P energy: -91.328
tors. eta vs tors. theta energy: -157.825
Dist. restrs. and SS energy: 9.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -2812.483136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.483136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2815.856361 (E_RNA)
where:
Base-Base interactions energy: -1977.011
where: short stacking energy: -825.022
Base-Backbone interact. energy: -4.578
local terms energy: -834.267529
where:
bonds (distance) C4'-P energy: -142.535
bonds (distance) P-C4' energy: -143.552
flat angles C4'-P-C4' energy: -177.268
flat angles P-C4'-P energy: -117.135
tors. eta vs tors. theta energy: -253.778
Dist. restrs. and SS energy: 3.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -2703.221312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.221312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.617182 (E_RNA)
where:
Base-Base interactions energy: -1896.103
where: short stacking energy: -820.264
Base-Backbone interact. energy: -0.510
local terms energy: -810.003646
where:
bonds (distance) C4'-P energy: -142.938
bonds (distance) P-C4' energy: -146.109
flat angles C4'-P-C4' energy: -158.990
flat angles P-C4'-P energy: -115.960
tors. eta vs tors. theta energy: -246.006
Dist. restrs. and SS energy: 3.396 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -2614.695101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.695101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.325642 (E_RNA)
where:
Base-Base interactions energy: -1850.164
where: short stacking energy: -768.882
Base-Backbone interact. energy: 1.785
local terms energy: -773.946457
where:
bonds (distance) C4'-P energy: -127.316
bonds (distance) P-C4' energy: -125.852
flat angles C4'-P-C4' energy: -171.778
flat angles P-C4'-P energy: -116.104
tors. eta vs tors. theta energy: -232.897
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: 4, replica: 2
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -2523.696472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.696472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.543800 (E_RNA)
where:
Base-Base interactions energy: -1751.058
where: short stacking energy: -743.320
Base-Backbone interact. energy: -0.162
local terms energy: -782.323251
where:
bonds (distance) C4'-P energy: -142.369
bonds (distance) P-C4' energy: -134.725
flat angles C4'-P-C4' energy: -158.726
flat angles P-C4'-P energy: -117.575
tors. eta vs tors. theta energy: -228.929
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: 5, replica: 5
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -2427.292907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.292907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.841547 (E_RNA)
where:
Base-Base interactions energy: -1684.773
where: short stacking energy: -688.696
Base-Backbone interact. energy: -4.053
local terms energy: -741.015195
where:
bonds (distance) C4'-P energy: -119.461
bonds (distance) P-C4' energy: -143.304
flat angles C4'-P-C4' energy: -160.960
flat angles P-C4'-P energy: -103.759
tors. eta vs tors. theta energy: -213.532
Dist. restrs. and SS energy: 2.549 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -2329.247786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.247786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.612598 (E_RNA)
where:
Base-Base interactions energy: -1653.012
where: short stacking energy: -686.505
Base-Backbone interact. energy: 2.299
local terms energy: -686.900274
where:
bonds (distance) C4'-P energy: -117.728
bonds (distance) P-C4' energy: -113.137
flat angles C4'-P-C4' energy: -157.033
flat angles P-C4'-P energy: -90.359
tors. eta vs tors. theta energy: -208.643
Dist. restrs. and SS energy: 8.365 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -2241.033503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.033503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.724931 (E_RNA)
where:
Base-Base interactions energy: -1572.095
where: short stacking energy: -645.646
Base-Backbone interact. energy: 3.785
local terms energy: -686.414570
where:
bonds (distance) C4'-P energy: -131.796
bonds (distance) P-C4' energy: -103.532
flat angles C4'-P-C4' energy: -164.516
flat angles P-C4'-P energy: -100.132
tors. eta vs tors. theta energy: -186.438
Dist. restrs. and SS energy: 13.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -2239.048559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.048559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.274200 (E_RNA)
where:
Base-Base interactions energy: -1556.507
where: short stacking energy: -640.977
Base-Backbone interact. energy: -2.742
local terms energy: -687.025404
where:
bonds (distance) C4'-P energy: -119.682
bonds (distance) P-C4' energy: -137.729
flat angles C4'-P-C4' energy: -150.337
flat angles P-C4'-P energy: -89.716
tors. eta vs tors. theta energy: -189.561
Dist. restrs. and SS energy: 7.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -1987.438615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.438615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.871962 (E_RNA)
where:
Base-Base interactions energy: -1413.351
where: short stacking energy: -571.248
Base-Backbone interact. energy: 1.696
local terms energy: -597.217595
where:
bonds (distance) C4'-P energy: -98.654
bonds (distance) P-C4' energy: -111.183
flat angles C4'-P-C4' energy: -149.580
flat angles P-C4'-P energy: -81.027
tors. eta vs tors. theta energy: -156.773
Dist. restrs. and SS energy: 21.433 (S_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: 303
Temperature: 1.350000
Total energy: -2040.354117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.354117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.822474 (E_RNA)
where:
Base-Base interactions energy: -1437.404
where: short stacking energy: -589.902
Base-Backbone interact. energy: -3.562
local terms energy: -613.856707
where:
bonds (distance) C4'-P energy: -100.435
bonds (distance) P-C4' energy: -128.698
flat angles C4'-P-C4' energy: -130.273
flat angles P-C4'-P energy: -90.993
tors. eta vs tors. theta energy: -163.459
Dist. restrs. and SS energy: 14.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -2813.299235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.299235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.200444 (E_RNA)
where:
Base-Base interactions energy: -1983.321
where: short stacking energy: -835.674
Base-Backbone interact. energy: -3.657
local terms energy: -830.222941
where:
bonds (distance) C4'-P energy: -141.018
bonds (distance) P-C4' energy: -150.698
flat angles C4'-P-C4' energy: -170.063
flat angles P-C4'-P energy: -118.658
tors. eta vs tors. theta energy: -249.786
Dist. restrs. and SS energy: 3.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -2735.434403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.434403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.600430 (E_RNA)
where:
Base-Base interactions energy: -1916.991
where: short stacking energy: -804.423
Base-Backbone interact. energy: 0.799
local terms energy: -822.408614
where:
bonds (distance) C4'-P energy: -136.795
bonds (distance) P-C4' energy: -156.790
flat angles C4'-P-C4' energy: -168.418
flat angles P-C4'-P energy: -113.710
tors. eta vs tors. theta energy: -246.695
Dist. restrs. and SS energy: 3.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -2616.028820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.028820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.743468 (E_RNA)
where:
Base-Base interactions energy: -1797.051
where: short stacking energy: -762.447
Base-Backbone interact. energy: -3.544
local terms energy: -819.149014
where:
bonds (distance) C4'-P energy: -147.677
bonds (distance) P-C4' energy: -148.501
flat angles C4'-P-C4' energy: -165.815
flat angles P-C4'-P energy: -120.906
tors. eta vs tors. theta energy: -236.251
Dist. restrs. and SS energy: 3.715 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -2520.026786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.026786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.937901 (E_RNA)
where:
Base-Base interactions energy: -1755.964
where: short stacking energy: -749.940
Base-Backbone interact. energy: -1.804
local terms energy: -766.169688
where:
bonds (distance) C4'-P energy: -130.556
bonds (distance) P-C4' energy: -142.103
flat angles C4'-P-C4' energy: -157.063
flat angles P-C4'-P energy: -107.895
tors. eta vs tors. theta energy: -228.554
Dist. restrs. and SS energy: 3.911 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -2404.165401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.165401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.572313 (E_RNA)
where:
Base-Base interactions energy: -1699.455
where: short stacking energy: -716.155
Base-Backbone interact. energy: -4.946
local terms energy: -709.171187
where:
bonds (distance) C4'-P energy: -119.143
bonds (distance) P-C4' energy: -120.613
flat angles C4'-P-C4' energy: -147.278
flat angles P-C4'-P energy: -117.003
tors. eta vs tors. theta energy: -205.135
Dist. restrs. and SS energy: 9.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -2353.516088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.516088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.682283 (E_RNA)
where:
Base-Base interactions energy: -1675.978
where: short stacking energy: -714.985
Base-Backbone interact. energy: -0.745
local terms energy: -678.959004
where:
bonds (distance) C4'-P energy: -109.365
bonds (distance) P-C4' energy: -122.116
flat angles C4'-P-C4' energy: -151.911
flat angles P-C4'-P energy: -84.689
tors. eta vs tors. theta energy: -210.878
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: 7, replica: 6
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -2295.833328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.833328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.330832 (E_RNA)
where:
Base-Base interactions energy: -1630.338
where: short stacking energy: -680.133
Base-Backbone interact. energy: -2.564
local terms energy: -671.428644
where:
bonds (distance) C4'-P energy: -111.337
bonds (distance) P-C4' energy: -122.156
flat angles C4'-P-C4' energy: -131.179
flat angles P-C4'-P energy: -110.102
tors. eta vs tors. theta energy: -196.654
Dist. restrs. and SS energy: 8.498 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -2251.599209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.599209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.174705 (E_RNA)
where:
Base-Base interactions energy: -1581.710
where: short stacking energy: -672.528
Base-Backbone interact. energy: -3.196
local terms energy: -686.268991
where:
bonds (distance) C4'-P energy: -129.763
bonds (distance) P-C4' energy: -118.423
flat angles C4'-P-C4' energy: -146.118
flat angles P-C4'-P energy: -99.207
tors. eta vs tors. theta energy: -192.758
Dist. restrs. and SS energy: 19.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -1986.398079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.398079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.663607 (E_RNA)
where:
Base-Base interactions energy: -1392.112
where: short stacking energy: -579.720
Base-Backbone interact. energy: -0.407
local terms energy: -621.144377
where:
bonds (distance) C4'-P energy: -107.221
bonds (distance) P-C4' energy: -127.361
flat angles C4'-P-C4' energy: -139.895
flat angles P-C4'-P energy: -84.061
tors. eta vs tors. theta energy: -162.607
Dist. restrs. and SS energy: 27.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -1973.857964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.857964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.831244 (E_RNA)
where:
Base-Base interactions energy: -1423.666
where: short stacking energy: -584.245
Base-Backbone interact. energy: -1.135
local terms energy: -557.031186
where:
bonds (distance) C4'-P energy: -102.532
bonds (distance) P-C4' energy: -100.873
flat angles C4'-P-C4' energy: -119.038
flat angles P-C4'-P energy: -80.986
tors. eta vs tors. theta energy: -153.602
Dist. restrs. and SS energy: 7.973 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -2796.410606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.410606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.616487 (E_RNA)
where:
Base-Base interactions energy: -1958.222
where: short stacking energy: -819.226
Base-Backbone interact. energy: -2.631
local terms energy: -837.763976
where:
bonds (distance) C4'-P energy: -139.117
bonds (distance) P-C4' energy: -156.579
flat angles C4'-P-C4' energy: -170.041
flat angles P-C4'-P energy: -120.468
tors. eta vs tors. theta energy: -251.559
Dist. restrs. and SS energy: 2.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -2740.941960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.941960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.021040 (E_RNA)
where:
Base-Base interactions energy: -1903.365
where: short stacking energy: -805.445
Base-Backbone interact. energy: -2.875
local terms energy: -838.780665
where:
bonds (distance) C4'-P energy: -135.500
bonds (distance) P-C4' energy: -151.213
flat angles C4'-P-C4' energy: -179.010
flat angles P-C4'-P energy: -119.408
tors. eta vs tors. theta energy: -253.650
Dist. restrs. and SS energy: 4.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -2604.563455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.563455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.545629 (E_RNA)
where:
Base-Base interactions energy: -1847.466
where: short stacking energy: -790.774
Base-Backbone interact. energy: -0.733
local terms energy: -760.346182
where:
bonds (distance) C4'-P energy: -131.757
bonds (distance) P-C4' energy: -129.683
flat angles C4'-P-C4' energy: -163.605
flat angles P-C4'-P energy: -97.365
tors. eta vs tors. theta energy: -237.936
Dist. restrs. and SS energy: 3.982 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -2520.751665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.751665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.033269 (E_RNA)
where:
Base-Base interactions energy: -1758.142
where: short stacking energy: -744.923
Base-Backbone interact. energy: -1.774
local terms energy: -766.117333
where:
bonds (distance) C4'-P energy: -132.759
bonds (distance) P-C4' energy: -128.221
flat angles C4'-P-C4' energy: -166.644
flat angles P-C4'-P energy: -110.322
tors. eta vs tors. theta energy: -228.172
Dist. restrs. and SS energy: 5.282 (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: 1
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -2441.283712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.283712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.248560 (E_RNA)
where:
Base-Base interactions energy: -1727.134
where: short stacking energy: -725.561
Base-Backbone interact. energy: 0.187
local terms energy: -722.300962
where:
bonds (distance) C4'-P energy: -114.443
bonds (distance) P-C4' energy: -142.711
flat angles C4'-P-C4' energy: -150.141
flat angles P-C4'-P energy: -109.358
tors. eta vs tors. theta energy: -205.649
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: 6, replica: 5
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -2345.931463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.931463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.639953 (E_RNA)
where:
Base-Base interactions energy: -1649.074
where: short stacking energy: -712.198
Base-Backbone interact. energy: -2.317
local terms energy: -700.248406
where:
bonds (distance) C4'-P energy: -123.307
bonds (distance) P-C4' energy: -135.390
flat angles C4'-P-C4' energy: -150.068
flat angles P-C4'-P energy: -82.224
tors. eta vs tors. theta energy: -209.259
Dist. restrs. and SS energy: 5.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -2330.011306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.011306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.590814 (E_RNA)
where:
Base-Base interactions energy: -1653.598
where: short stacking energy: -701.614
Base-Backbone interact. energy: -2.545
local terms energy: -679.448282
where:
bonds (distance) C4'-P energy: -115.177
bonds (distance) P-C4' energy: -115.756
flat angles C4'-P-C4' energy: -148.197
flat angles P-C4'-P energy: -91.243
tors. eta vs tors. theta energy: -209.074
Dist. restrs. and SS energy: 5.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -2217.116543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.116543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.965899 (E_RNA)
where:
Base-Base interactions energy: -1544.434
where: short stacking energy: -660.433
Base-Backbone interact. energy: 4.417
local terms energy: -689.948751
where:
bonds (distance) C4'-P energy: -135.956
bonds (distance) P-C4' energy: -130.730
flat angles C4'-P-C4' energy: -139.250
flat angles P-C4'-P energy: -87.052
tors. eta vs tors. theta energy: -196.960
Dist. restrs. and SS energy: 12.849 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -1951.420666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.420666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.461041 (E_RNA)
where:
Base-Base interactions energy: -1372.247
where: short stacking energy: -594.482
Base-Backbone interact. energy: 0.221
local terms energy: -609.434109
where:
bonds (distance) C4'-P energy: -114.509
bonds (distance) P-C4' energy: -124.102
flat angles C4'-P-C4' energy: -134.983
flat angles P-C4'-P energy: -80.547
tors. eta vs tors. theta energy: -155.293
Dist. restrs. and SS energy: 30.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -1949.727006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.727006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.946018 (E_RNA)
where:
Base-Base interactions energy: -1388.256
where: short stacking energy: -570.654
Base-Backbone interact. energy: -2.997
local terms energy: -577.693337
where:
bonds (distance) C4'-P energy: -101.308
bonds (distance) P-C4' energy: -111.930
flat angles C4'-P-C4' energy: -123.736
flat angles P-C4'-P energy: -78.922
tors. eta vs tors. theta energy: -161.798
Dist. restrs. and SS energy: 19.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -2780.534177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.534177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2785.578655 (E_RNA)
where:
Base-Base interactions energy: -1930.815
where: short stacking energy: -789.732
Base-Backbone interact. energy: -3.175
local terms energy: -851.588951
where:
bonds (distance) C4'-P energy: -157.753
bonds (distance) P-C4' energy: -155.197
flat angles C4'-P-C4' energy: -177.818
flat angles P-C4'-P energy: -127.232
tors. eta vs tors. theta energy: -233.590
Dist. restrs. and SS energy: 5.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -2747.748548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2747.748548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2751.103005 (E_RNA)
where:
Base-Base interactions energy: -1919.254
where: short stacking energy: -819.573
Base-Backbone interact. energy: 3.517
local terms energy: -835.365247
where:
bonds (distance) C4'-P energy: -147.880
bonds (distance) P-C4' energy: -142.347
flat angles C4'-P-C4' energy: -166.918
flat angles P-C4'-P energy: -121.434
tors. eta vs tors. theta energy: -256.787
Dist. restrs. and SS energy: 3.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -2604.665689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.665689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.932099 (E_RNA)
where:
Base-Base interactions energy: -1829.003
where: short stacking energy: -781.138
Base-Backbone interact. energy: -2.958
local terms energy: -776.970919
where:
bonds (distance) C4'-P energy: -142.352
bonds (distance) P-C4' energy: -132.097
flat angles C4'-P-C4' energy: -165.760
flat angles P-C4'-P energy: -100.685
tors. eta vs tors. theta energy: -236.077
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: 4, replica: 2
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -2520.820399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.820399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.634761 (E_RNA)
where:
Base-Base interactions energy: -1740.359
where: short stacking energy: -738.845
Base-Backbone interact. energy: -3.145
local terms energy: -782.130626
where:
bonds (distance) C4'-P energy: -136.160
bonds (distance) P-C4' energy: -135.070
flat angles C4'-P-C4' energy: -159.927
flat angles P-C4'-P energy: -117.288
tors. eta vs tors. theta energy: -233.685
Dist. restrs. and SS energy: 4.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -2438.862484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.862484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.531883 (E_RNA)
where:
Base-Base interactions energy: -1727.180
where: short stacking energy: -692.465
Base-Backbone interact. energy: -0.620
local terms energy: -715.731464
where:
bonds (distance) C4'-P energy: -116.193
bonds (distance) P-C4' energy: -138.652
flat angles C4'-P-C4' energy: -154.193
flat angles P-C4'-P energy: -104.611
tors. eta vs tors. theta energy: -202.083
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: 6, replica: 5
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -2405.701626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.701626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.554754 (E_RNA)
where:
Base-Base interactions energy: -1661.736
where: short stacking energy: -718.818
Base-Backbone interact. energy: -3.414
local terms energy: -746.404769
where:
bonds (distance) C4'-P energy: -140.450
bonds (distance) P-C4' energy: -130.992
flat angles C4'-P-C4' energy: -145.059
flat angles P-C4'-P energy: -109.895
tors. eta vs tors. theta energy: -220.009
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: 7, replica: 6
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -2287.834999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.834999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.492851 (E_RNA)
where:
Base-Base interactions energy: -1635.384
where: short stacking energy: -684.598
Base-Backbone interact. energy: 1.673
local terms energy: -658.782102
where:
bonds (distance) C4'-P energy: -123.413
bonds (distance) P-C4' energy: -111.584
flat angles C4'-P-C4' energy: -143.686
flat angles P-C4'-P energy: -80.398
tors. eta vs tors. theta energy: -199.701
Dist. restrs. and SS energy: 4.658 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -2207.346764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.346764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.858302 (E_RNA)
where:
Base-Base interactions energy: -1553.179
where: short stacking energy: -655.243
Base-Backbone interact. energy: 1.017
local terms energy: -666.696311
where:
bonds (distance) C4'-P energy: -91.909
bonds (distance) P-C4' energy: -126.966
flat angles C4'-P-C4' energy: -156.728
flat angles P-C4'-P energy: -95.756
tors. eta vs tors. theta energy: -195.337
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: 7
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -2022.019874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.019874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.591303 (E_RNA)
where:
Base-Base interactions energy: -1439.114
where: short stacking energy: -603.317
Base-Backbone interact. energy: -1.945
local terms energy: -600.532168
where:
bonds (distance) C4'-P energy: -106.033
bonds (distance) P-C4' energy: -103.730
flat angles C4'-P-C4' energy: -125.646
flat angles P-C4'-P energy: -91.552
tors. eta vs tors. theta energy: -173.571
Dist. restrs. and SS energy: 19.571 (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: 4
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -1963.893111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.893111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.706099 (E_RNA)
where:
Base-Base interactions energy: -1406.194
where: short stacking energy: -578.541
Base-Backbone interact. energy: -2.900
local terms energy: -563.611866
where:
bonds (distance) C4'-P energy: -100.187
bonds (distance) P-C4' energy: -116.882
flat angles C4'-P-C4' energy: -119.910
flat angles P-C4'-P energy: -62.193
tors. eta vs tors. theta energy: -164.441
Dist. restrs. and SS energy: 8.813 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -2824.122254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2824.122254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2826.070376 (E_RNA)
where:
Base-Base interactions energy: -1988.900
where: short stacking energy: -797.161
Base-Backbone interact. energy: -2.758
local terms energy: -834.412469
where:
bonds (distance) C4'-P energy: -145.851
bonds (distance) P-C4' energy: -156.021
flat angles C4'-P-C4' energy: -170.326
flat angles P-C4'-P energy: -118.418
tors. eta vs tors. theta energy: -243.796
Dist. restrs. and SS energy: 1.948 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -2733.034270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.034270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.956721 (E_RNA)
where:
Base-Base interactions energy: -1902.946
where: short stacking energy: -830.946
Base-Backbone interact. energy: -0.760
local terms energy: -832.250565
where:
bonds (distance) C4'-P energy: -135.631
bonds (distance) P-C4' energy: -142.642
flat angles C4'-P-C4' energy: -180.293
flat angles P-C4'-P energy: -116.169
tors. eta vs tors. theta energy: -257.515
Dist. restrs. and SS energy: 2.922 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -2593.822662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.822662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.235350 (E_RNA)
where:
Base-Base interactions energy: -1798.124
where: short stacking energy: -774.275
Base-Backbone interact. energy: -6.172
local terms energy: -793.939359
where:
bonds (distance) C4'-P energy: -138.224
bonds (distance) P-C4' energy: -141.514
flat angles C4'-P-C4' energy: -164.598
flat angles P-C4'-P energy: -108.010
tors. eta vs tors. theta energy: -241.593
Dist. restrs. and SS energy: 4.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -2525.983858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.983858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.455020 (E_RNA)
where:
Base-Base interactions energy: -1784.877
where: short stacking energy: -752.194
Base-Backbone interact. energy: -2.171
local terms energy: -743.406409
where:
bonds (distance) C4'-P energy: -129.167
bonds (distance) P-C4' energy: -116.154
flat angles C4'-P-C4' energy: -161.362
flat angles P-C4'-P energy: -104.963
tors. eta vs tors. theta energy: -231.759
Dist. restrs. and SS energy: 4.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -2392.567708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.567708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.908436 (E_RNA)
where:
Base-Base interactions energy: -1687.769
where: short stacking energy: -694.950
Base-Backbone interact. energy: 0.623
local terms energy: -709.762449
where:
bonds (distance) C4'-P energy: -140.839
bonds (distance) P-C4' energy: -110.152
flat angles C4'-P-C4' energy: -140.331
flat angles P-C4'-P energy: -106.069
tors. eta vs tors. theta energy: -212.372
Dist. restrs. and SS energy: 4.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -2424.339994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.339994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.206010 (E_RNA)
where:
Base-Base interactions energy: -1710.873
where: short stacking energy: -750.736
Base-Backbone interact. energy: 1.949
local terms energy: -720.282030
where:
bonds (distance) C4'-P energy: -125.891
bonds (distance) P-C4' energy: -124.302
flat angles C4'-P-C4' energy: -145.275
flat angles P-C4'-P energy: -98.711
tors. eta vs tors. theta energy: -226.103
Dist. restrs. and SS energy: 4.866 (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: 6
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -2296.717889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.717889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.909101 (E_RNA)
where:
Base-Base interactions energy: -1613.093
where: short stacking energy: -699.820
Base-Backbone interact. energy: -1.474
local terms energy: -687.342714
where:
bonds (distance) C4'-P energy: -126.612
bonds (distance) P-C4' energy: -124.722
flat angles C4'-P-C4' energy: -138.396
flat angles P-C4'-P energy: -87.489
tors. eta vs tors. theta energy: -210.123
Dist. restrs. and SS energy: 5.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -2221.315506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.315506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.565053 (E_RNA)
where:
Base-Base interactions energy: -1577.376
where: short stacking energy: -676.112
Base-Backbone interact. energy: 1.340
local terms energy: -657.528704
where:
bonds (distance) C4'-P energy: -114.280
bonds (distance) P-C4' energy: -108.214
flat angles C4'-P-C4' energy: -159.253
flat angles P-C4'-P energy: -79.085
tors. eta vs tors. theta energy: -196.696
Dist. restrs. and SS energy: 12.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -1978.195675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.195675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.129393 (E_RNA)
where:
Base-Base interactions energy: -1379.765
where: short stacking energy: -567.001
Base-Backbone interact. energy: 2.291
local terms energy: -628.654557
where:
bonds (distance) C4'-P energy: -115.764
bonds (distance) P-C4' energy: -134.902
flat angles C4'-P-C4' energy: -130.974
flat angles P-C4'-P energy: -88.860
tors. eta vs tors. theta energy: -158.155
Dist. restrs. and SS energy: 27.934 (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: 4
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -1973.992875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.992875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.764025 (E_RNA)
where:
Base-Base interactions energy: -1416.235
where: short stacking energy: -554.187
Base-Backbone interact. energy: -4.211
local terms energy: -570.318018
where:
bonds (distance) C4'-P energy: -119.494
bonds (distance) P-C4' energy: -90.430
flat angles C4'-P-C4' energy: -117.297
flat angles P-C4'-P energy: -83.822
tors. eta vs tors. theta energy: -159.275
Dist. restrs. and SS energy: 16.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -2816.178799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.178799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2820.340248 (E_RNA)
where:
Base-Base interactions energy: -2011.618
where: short stacking energy: -814.658
Base-Backbone interact. energy: 1.006
local terms energy: -809.728187
where:
bonds (distance) C4'-P energy: -132.698
bonds (distance) P-C4' energy: -147.145
flat angles C4'-P-C4' energy: -173.083
flat angles P-C4'-P energy: -110.144
tors. eta vs tors. theta energy: -246.658
Dist. restrs. and SS energy: 4.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -2747.573287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2747.573287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.887606 (E_RNA)
where:
Base-Base interactions energy: -1920.186
where: short stacking energy: -810.589
Base-Backbone interact. energy: -2.497
local terms energy: -827.205270
where:
bonds (distance) C4'-P energy: -134.450
bonds (distance) P-C4' energy: -148.464
flat angles C4'-P-C4' energy: -168.520
flat angles P-C4'-P energy: -117.068
tors. eta vs tors. theta energy: -258.703
Dist. restrs. and SS energy: 2.314 (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: 308
Temperature: 1.000000
Total energy: -2620.169538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.169538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.660710 (E_RNA)
where:
Base-Base interactions energy: -1853.915
where: short stacking energy: -773.954
Base-Backbone interact. energy: -2.498
local terms energy: -768.248155
where:
bonds (distance) C4'-P energy: -118.675
bonds (distance) P-C4' energy: -134.592
flat angles C4'-P-C4' energy: -172.614
flat angles P-C4'-P energy: -111.749
tors. eta vs tors. theta energy: -230.618
Dist. restrs. and SS energy: 4.491 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -2512.833170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.833170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.876202 (E_RNA)
where:
Base-Base interactions energy: -1741.569
where: short stacking energy: -737.343
Base-Backbone interact. energy: -3.621
local terms energy: -771.685793
where:
bonds (distance) C4'-P energy: -126.753
bonds (distance) P-C4' energy: -151.119
flat angles C4'-P-C4' energy: -155.717
flat angles P-C4'-P energy: -110.692
tors. eta vs tors. theta energy: -227.404
Dist. restrs. and SS energy: 4.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -2454.075520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.075520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.169305 (E_RNA)
where:
Base-Base interactions energy: -1716.768
where: short stacking energy: -736.854
Base-Backbone interact. energy: -3.630
local terms energy: -738.771627
where:
bonds (distance) C4'-P energy: -122.164
bonds (distance) P-C4' energy: -132.402
flat angles C4'-P-C4' energy: -165.133
flat angles P-C4'-P energy: -105.457
tors. eta vs tors. theta energy: -213.616
Dist. restrs. and SS energy: 5.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -2342.126420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.126420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.259752 (E_RNA)
where:
Base-Base interactions energy: -1638.711
where: short stacking energy: -674.847
Base-Backbone interact. energy: 1.343
local terms energy: -712.892062
where:
bonds (distance) C4'-P energy: -124.408
bonds (distance) P-C4' energy: -127.350
flat angles C4'-P-C4' energy: -154.026
flat angles P-C4'-P energy: -100.430
tors. eta vs tors. theta energy: -206.677
Dist. restrs. and SS energy: 8.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -2250.181454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.181454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.364087 (E_RNA)
where:
Base-Base interactions energy: -1559.608
where: short stacking energy: -652.823
Base-Backbone interact. energy: 0.129
local terms energy: -699.885108
where:
bonds (distance) C4'-P energy: -125.242
bonds (distance) P-C4' energy: -124.548
flat angles C4'-P-C4' energy: -154.205
flat angles P-C4'-P energy: -96.405
tors. eta vs tors. theta energy: -199.485
Dist. restrs. and SS energy: 9.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -2180.038488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.038488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.117513 (E_RNA)
where:
Base-Base interactions energy: -1542.277
where: short stacking energy: -652.267
Base-Backbone interact. energy: 2.609
local terms energy: -656.449540
where:
bonds (distance) C4'-P energy: -128.360
bonds (distance) P-C4' energy: -95.196
flat angles C4'-P-C4' energy: -150.421
flat angles P-C4'-P energy: -89.109
tors. eta vs tors. theta energy: -193.363
Dist. restrs. and SS energy: 16.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -2016.084873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.084873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.603308 (E_RNA)
where:
Base-Base interactions energy: -1429.096
where: short stacking energy: -598.300
Base-Backbone interact. energy: -3.190
local terms energy: -611.316960
where:
bonds (distance) C4'-P energy: -94.375
bonds (distance) P-C4' energy: -122.360
flat angles C4'-P-C4' energy: -145.476
flat angles P-C4'-P energy: -83.486
tors. eta vs tors. theta energy: -165.620
Dist. restrs. and SS energy: 27.518 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -1973.415762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.415762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.513746 (E_RNA)
where:
Base-Base interactions energy: -1425.819
where: short stacking energy: -570.194
Base-Backbone interact. energy: 3.912
local terms energy: -563.606525
where:
bonds (distance) C4'-P energy: -109.952
bonds (distance) P-C4' energy: -115.809
flat angles C4'-P-C4' energy: -100.445
flat angles P-C4'-P energy: -72.955
tors. eta vs tors. theta energy: -164.445
Dist. restrs. and SS energy: 12.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -2811.934132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.934132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.980505 (E_RNA)
where:
Base-Base interactions energy: -2008.497
where: short stacking energy: -815.289
Base-Backbone interact. energy: -4.998
local terms energy: -801.485692
where:
bonds (distance) C4'-P energy: -136.318
bonds (distance) P-C4' energy: -145.059
flat angles C4'-P-C4' energy: -172.514
flat angles P-C4'-P energy: -102.470
tors. eta vs tors. theta energy: -245.125
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: 10
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -2722.821045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.821045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.126644 (E_RNA)
where:
Base-Base interactions energy: -1910.247
where: short stacking energy: -791.670
Base-Backbone interact. energy: -2.541
local terms energy: -813.339026
where:
bonds (distance) C4'-P energy: -147.694
bonds (distance) P-C4' energy: -146.252
flat angles C4'-P-C4' energy: -168.251
flat angles P-C4'-P energy: -104.847
tors. eta vs tors. theta energy: -246.295
Dist. restrs. and SS energy: 3.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -2623.906600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.906600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.588476 (E_RNA)
where:
Base-Base interactions energy: -1847.598
where: short stacking energy: -774.291
Base-Backbone interact. energy: -3.862
local terms energy: -775.127530
where:
bonds (distance) C4'-P energy: -120.647
bonds (distance) P-C4' energy: -135.941
flat angles C4'-P-C4' energy: -165.858
flat angles P-C4'-P energy: -114.477
tors. eta vs tors. theta energy: -238.204
Dist. restrs. and SS energy: 2.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -2514.374100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.374100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.977941 (E_RNA)
where:
Base-Base interactions energy: -1746.675
where: short stacking energy: -738.200
Base-Backbone interact. energy: -1.852
local terms energy: -770.451698
where:
bonds (distance) C4'-P energy: -127.118
bonds (distance) P-C4' energy: -137.119
flat angles C4'-P-C4' energy: -164.935
flat angles P-C4'-P energy: -117.438
tors. eta vs tors. theta energy: -223.841
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: 5, replica: 2
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -2451.548623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.548623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.205346 (E_RNA)
where:
Base-Base interactions energy: -1712.314
where: short stacking energy: -727.140
Base-Backbone interact. energy: -3.339
local terms energy: -741.552073
where:
bonds (distance) C4'-P energy: -137.827
bonds (distance) P-C4' energy: -143.846
flat angles C4'-P-C4' energy: -145.503
flat angles P-C4'-P energy: -98.214
tors. eta vs tors. theta energy: -216.162
Dist. restrs. and SS energy: 5.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -2343.087051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.087051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.936399 (E_RNA)
where:
Base-Base interactions energy: -1643.253
where: short stacking energy: -662.507
Base-Backbone interact. energy: 1.051
local terms energy: -706.734414
where:
bonds (distance) C4'-P energy: -125.617
bonds (distance) P-C4' energy: -132.698
flat angles C4'-P-C4' energy: -153.264
flat angles P-C4'-P energy: -95.385
tors. eta vs tors. theta energy: -199.772
Dist. restrs. and SS energy: 5.849 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -2264.697904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.697904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.431907 (E_RNA)
where:
Base-Base interactions energy: -1581.237
where: short stacking energy: -671.919
Base-Backbone interact. energy: -4.105
local terms energy: -687.089957
where:
bonds (distance) C4'-P energy: -116.212
bonds (distance) P-C4' energy: -129.318
flat angles C4'-P-C4' energy: -143.297
flat angles P-C4'-P energy: -100.848
tors. eta vs tors. theta energy: -197.415
Dist. restrs. and SS energy: 7.734 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -2188.165770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.165770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.616364 (E_RNA)
where:
Base-Base interactions energy: -1545.722
where: short stacking energy: -654.634
Base-Backbone interact. energy: -0.391
local terms energy: -656.503235
where:
bonds (distance) C4'-P energy: -119.073
bonds (distance) P-C4' energy: -127.000
flat angles C4'-P-C4' energy: -132.919
flat angles P-C4'-P energy: -87.054
tors. eta vs tors. theta energy: -190.458
Dist. restrs. and SS energy: 14.451 (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: 7
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -2030.707684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.707684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.443182 (E_RNA)
where:
Base-Base interactions energy: -1435.580
where: short stacking energy: -606.084
Base-Backbone interact. energy: 2.025
local terms energy: -629.888229
where:
bonds (distance) C4'-P energy: -123.260
bonds (distance) P-C4' energy: -113.186
flat angles C4'-P-C4' energy: -127.950
flat angles P-C4'-P energy: -94.153
tors. eta vs tors. theta energy: -171.338
Dist. restrs. and SS energy: 32.735 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -2004.370457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.370457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.952560 (E_RNA)
where:
Base-Base interactions energy: -1453.955
where: short stacking energy: -591.283
Base-Backbone interact. energy: 0.149
local terms energy: -566.146599
where:
bonds (distance) C4'-P energy: -101.909
bonds (distance) P-C4' energy: -99.265
flat angles C4'-P-C4' energy: -122.537
flat angles P-C4'-P energy: -75.697
tors. eta vs tors. theta energy: -166.739
Dist. restrs. and SS energy: 15.582 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -2821.931559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.931559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.432059 (E_RNA)
where:
Base-Base interactions energy: -1992.166
where: short stacking energy: -831.473
Base-Backbone interact. energy: -1.863
local terms energy: -830.403313
where:
bonds (distance) C4'-P energy: -141.253
bonds (distance) P-C4' energy: -152.448
flat angles C4'-P-C4' energy: -165.562
flat angles P-C4'-P energy: -124.649
tors. eta vs tors. theta energy: -246.490
Dist. restrs. and SS energy: 2.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -2729.605492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.605492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.545073 (E_RNA)
where:
Base-Base interactions energy: -1917.860
where: short stacking energy: -817.593
Base-Backbone interact. energy: -2.193
local terms energy: -813.491715
where:
bonds (distance) C4'-P energy: -133.460
bonds (distance) P-C4' energy: -140.792
flat angles C4'-P-C4' energy: -171.054
flat angles P-C4'-P energy: -109.172
tors. eta vs tors. theta energy: -259.014
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: 8
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -2635.774478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.774478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.016972 (E_RNA)
where:
Base-Base interactions energy: -1881.276
where: short stacking energy: -803.293
Base-Backbone interact. energy: -1.042
local terms energy: -758.698124
where:
bonds (distance) C4'-P energy: -109.185
bonds (distance) P-C4' energy: -119.416
flat angles C4'-P-C4' energy: -173.885
flat angles P-C4'-P energy: -116.688
tors. eta vs tors. theta energy: -239.524
Dist. restrs. and SS energy: 5.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -2469.717750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.717750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.853422 (E_RNA)
where:
Base-Base interactions energy: -1709.927
where: short stacking energy: -710.243
Base-Backbone interact. energy: -5.815
local terms energy: -763.111153
where:
bonds (distance) C4'-P energy: -150.527
bonds (distance) P-C4' energy: -130.724
flat angles C4'-P-C4' energy: -158.720
flat angles P-C4'-P energy: -105.980
tors. eta vs tors. theta energy: -217.160
Dist. restrs. and SS energy: 9.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -2448.359098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.359098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.693487 (E_RNA)
where:
Base-Base interactions energy: -1740.994
where: short stacking energy: -724.514
Base-Backbone interact. energy: -0.658
local terms energy: -714.041605
where:
bonds (distance) C4'-P energy: -121.203
bonds (distance) P-C4' energy: -127.121
flat angles C4'-P-C4' energy: -142.844
flat angles P-C4'-P energy: -112.600
tors. eta vs tors. theta energy: -210.274
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: 6, replica: 1
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -2340.949273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.949273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.417747 (E_RNA)
where:
Base-Base interactions energy: -1654.889
where: short stacking energy: -694.063
Base-Backbone interact. energy: -0.240
local terms energy: -694.288680
where:
bonds (distance) C4'-P energy: -124.074
bonds (distance) P-C4' energy: -132.493
flat angles C4'-P-C4' energy: -149.699
flat angles P-C4'-P energy: -95.169
tors. eta vs tors. theta energy: -192.855
Dist. restrs. and SS energy: 8.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -2268.423651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.423651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.150464 (E_RNA)
where:
Base-Base interactions energy: -1591.308
where: short stacking energy: -648.814
Base-Backbone interact. energy: 2.981
local terms energy: -686.823828
where:
bonds (distance) C4'-P energy: -108.174
bonds (distance) P-C4' energy: -141.632
flat angles C4'-P-C4' energy: -153.188
flat angles P-C4'-P energy: -99.302
tors. eta vs tors. theta energy: -184.527
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: 8, replica: 9
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -2196.894683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.894683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.812887 (E_RNA)
where:
Base-Base interactions energy: -1553.663
where: short stacking energy: -656.672
Base-Backbone interact. energy: -1.209
local terms energy: -657.941043
where:
bonds (distance) C4'-P energy: -108.384
bonds (distance) P-C4' energy: -106.900
flat angles C4'-P-C4' energy: -145.195
flat angles P-C4'-P energy: -105.517
tors. eta vs tors. theta energy: -191.946
Dist. restrs. and SS energy: 15.918 (S_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: 310
Temperature: 1.300000
Total energy: -2009.476490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.476490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.199625 (E_RNA)
where:
Base-Base interactions energy: -1372.803
where: short stacking energy: -586.160
Base-Backbone interact. energy: -3.911
local terms energy: -656.485089
where:
bonds (distance) C4'-P energy: -109.536
bonds (distance) P-C4' energy: -132.487
flat angles C4'-P-C4' energy: -149.036
flat angles P-C4'-P energy: -88.975
tors. eta vs tors. theta energy: -176.451
Dist. restrs. and SS energy: 23.723 (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: 4
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -2020.163237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.163237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.147878 (E_RNA)
where:
Base-Base interactions energy: -1422.538
where: short stacking energy: -580.879
Base-Backbone interact. energy: 0.077
local terms energy: -603.687025
where:
bonds (distance) C4'-P energy: -112.459
bonds (distance) P-C4' energy: -98.122
flat angles C4'-P-C4' energy: -124.759
flat angles P-C4'-P energy: -91.242
tors. eta vs tors. theta energy: -177.104
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: 1, replica: 3
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -2780.558547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.558547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2783.924820 (E_RNA)
where:
Base-Base interactions energy: -1951.810
where: short stacking energy: -817.283
Base-Backbone interact. energy: -1.164
local terms energy: -830.950186
where:
bonds (distance) C4'-P energy: -140.049
bonds (distance) P-C4' energy: -146.179
flat angles C4'-P-C4' energy: -170.917
flat angles P-C4'-P energy: -120.463
tors. eta vs tors. theta energy: -253.342
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: 10
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -2731.559490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2731.559490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.188563 (E_RNA)
where:
Base-Base interactions energy: -1935.286
where: short stacking energy: -837.544
Base-Backbone interact. energy: -2.713
local terms energy: -798.189300
where:
bonds (distance) C4'-P energy: -142.726
bonds (distance) P-C4' energy: -110.992
flat angles C4'-P-C4' energy: -173.698
flat angles P-C4'-P energy: -119.533
tors. eta vs tors. theta energy: -251.240
Dist. restrs. and SS energy: 4.629 (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: 8
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -2621.105866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.105866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.855748 (E_RNA)
where:
Base-Base interactions energy: -1859.557
where: short stacking energy: -782.287
Base-Backbone interact. energy: -3.168
local terms energy: -762.131400
where:
bonds (distance) C4'-P energy: -134.675
bonds (distance) P-C4' energy: -114.400
flat angles C4'-P-C4' energy: -166.677
flat angles P-C4'-P energy: -112.488
tors. eta vs tors. theta energy: -233.891
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: 4, replica: 2
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -2532.724378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.724378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.050604 (E_RNA)
where:
Base-Base interactions energy: -1801.793
where: short stacking energy: -755.715
Base-Backbone interact. energy: -1.392
local terms energy: -733.865560
where:
bonds (distance) C4'-P energy: -116.905
bonds (distance) P-C4' energy: -138.699
flat angles C4'-P-C4' energy: -154.869
flat angles P-C4'-P energy: -99.773
tors. eta vs tors. theta energy: -223.620
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: 5, replica: 5
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -2461.982008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.982008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.849914 (E_RNA)
where:
Base-Base interactions energy: -1724.864
where: short stacking energy: -734.834
Base-Backbone interact. energy: -0.862
local terms energy: -744.123844
where:
bonds (distance) C4'-P energy: -132.871
bonds (distance) P-C4' energy: -127.766
flat angles C4'-P-C4' energy: -160.489
flat angles P-C4'-P energy: -103.529
tors. eta vs tors. theta energy: -219.469
Dist. restrs. and SS energy: 7.868 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -2348.042075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.042075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.465737 (E_RNA)
where:
Base-Base interactions energy: -1651.544
where: short stacking energy: -685.988
Base-Backbone interact. energy: -4.577
local terms energy: -699.344724
where:
bonds (distance) C4'-P energy: -127.355
bonds (distance) P-C4' energy: -122.604
flat angles C4'-P-C4' energy: -151.456
flat angles P-C4'-P energy: -92.046
tors. eta vs tors. theta energy: -205.884
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: 7, replica: 6
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -2275.525183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.525183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.787159 (E_RNA)
where:
Base-Base interactions energy: -1631.382
where: short stacking energy: -683.035
Base-Backbone interact. energy: -0.003
local terms energy: -651.401929
where:
bonds (distance) C4'-P energy: -113.261
bonds (distance) P-C4' energy: -125.265
flat angles C4'-P-C4' energy: -141.643
flat angles P-C4'-P energy: -76.029
tors. eta vs tors. theta energy: -195.204
Dist. restrs. and SS energy: 7.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -2254.520289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.520289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.858709 (E_RNA)
where:
Base-Base interactions energy: -1588.075
where: short stacking energy: -674.486
Base-Backbone interact. energy: 0.346
local terms energy: -680.130052
where:
bonds (distance) C4'-P energy: -114.958
bonds (distance) P-C4' energy: -126.899
flat angles C4'-P-C4' energy: -147.492
flat angles P-C4'-P energy: -93.247
tors. eta vs tors. theta energy: -197.534
Dist. restrs. and SS energy: 13.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -2030.926879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.926879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.294059 (E_RNA)
where:
Base-Base interactions energy: -1399.241
where: short stacking energy: -585.448
Base-Backbone interact. energy: -5.608
local terms energy: -645.445161
where:
bonds (distance) C4'-P energy: -125.240
bonds (distance) P-C4' energy: -118.882
flat angles C4'-P-C4' energy: -147.217
flat angles P-C4'-P energy: -69.572
tors. eta vs tors. theta energy: -184.535
Dist. restrs. and SS energy: 19.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -2041.470538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.470538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.538203 (E_RNA)
where:
Base-Base interactions energy: -1439.471
where: short stacking energy: -579.408
Base-Backbone interact. energy: -0.191
local terms energy: -612.875991
where:
bonds (distance) C4'-P energy: -112.068
bonds (distance) P-C4' energy: -113.175
flat angles C4'-P-C4' energy: -143.593
flat angles P-C4'-P energy: -68.542
tors. eta vs tors. theta energy: -175.499
Dist. restrs. and SS energy: 11.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -2812.900756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.900756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2815.771374 (E_RNA)
where:
Base-Base interactions energy: -1968.467
where: short stacking energy: -815.609
Base-Backbone interact. energy: -3.032
local terms energy: -844.271601
where:
bonds (distance) C4'-P energy: -153.062
bonds (distance) P-C4' energy: -152.650
flat angles C4'-P-C4' energy: -164.663
flat angles P-C4'-P energy: -117.655
tors. eta vs tors. theta energy: -256.242
Dist. restrs. and SS energy: 2.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -2709.738204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.738204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.478578 (E_RNA)
where:
Base-Base interactions energy: -1925.218
where: short stacking energy: -826.229
Base-Backbone interact. energy: -1.267
local terms energy: -786.993021
where:
bonds (distance) C4'-P energy: -126.052
bonds (distance) P-C4' energy: -134.252
flat angles C4'-P-C4' energy: -158.228
flat angles P-C4'-P energy: -114.699
tors. eta vs tors. theta energy: -253.761
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: 3, replica: 8
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -2620.304002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.304002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.796867 (E_RNA)
where:
Base-Base interactions energy: -1824.071
where: short stacking energy: -773.188
Base-Backbone interact. energy: 0.418
local terms energy: -800.144247
where:
bonds (distance) C4'-P energy: -124.236
bonds (distance) P-C4' energy: -151.024
flat angles C4'-P-C4' energy: -173.993
flat angles P-C4'-P energy: -106.266
tors. eta vs tors. theta energy: -244.624
Dist. restrs. and SS energy: 3.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -2528.562015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.562015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.089092 (E_RNA)
where:
Base-Base interactions energy: -1784.702
where: short stacking energy: -760.171
Base-Backbone interact. energy: -0.971
local terms energy: -748.416485
where:
bonds (distance) C4'-P energy: -135.036
bonds (distance) P-C4' energy: -139.474
flat angles C4'-P-C4' energy: -156.958
flat angles P-C4'-P energy: -91.628
tors. eta vs tors. theta energy: -225.320
Dist. restrs. and SS energy: 5.527 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -2428.724607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.724607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.616025 (E_RNA)
where:
Base-Base interactions energy: -1712.966
where: short stacking energy: -747.982
Base-Backbone interact. energy: -2.569
local terms energy: -722.081218
where:
bonds (distance) C4'-P energy: -128.246
bonds (distance) P-C4' energy: -111.284
flat angles C4'-P-C4' energy: -166.047
flat angles P-C4'-P energy: -95.763
tors. eta vs tors. theta energy: -220.741
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: 6, replica: 1
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -2407.009465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.009465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.414180 (E_RNA)
where:
Base-Base interactions energy: -1695.081
where: short stacking energy: -711.914
Base-Backbone interact. energy: 1.036
local terms energy: -719.369263
where:
bonds (distance) C4'-P energy: -121.689
bonds (distance) P-C4' energy: -124.910
flat angles C4'-P-C4' energy: -153.751
flat angles P-C4'-P energy: -105.778
tors. eta vs tors. theta energy: -213.241
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: 6
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -2271.664953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.664953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.556471 (E_RNA)
where:
Base-Base interactions energy: -1627.149
where: short stacking energy: -689.625
Base-Backbone interact. energy: -0.768
local terms energy: -650.639658
where:
bonds (distance) C4'-P energy: -98.435
bonds (distance) P-C4' energy: -132.661
flat angles C4'-P-C4' energy: -137.804
flat angles P-C4'-P energy: -79.540
tors. eta vs tors. theta energy: -202.199
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: 8, replica: 9
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -2204.529937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.529937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.961367 (E_RNA)
where:
Base-Base interactions energy: -1551.061
where: short stacking energy: -661.623
Base-Backbone interact. energy: -3.484
local terms energy: -665.416387
where:
bonds (distance) C4'-P energy: -121.756
bonds (distance) P-C4' energy: -117.817
flat angles C4'-P-C4' energy: -134.146
flat angles P-C4'-P energy: -95.299
tors. eta vs tors. theta energy: -196.399
Dist. restrs. and SS energy: 15.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -2016.112054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.112054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.803405 (E_RNA)
where:
Base-Base interactions energy: -1403.540
where: short stacking energy: -611.694
Base-Backbone interact. energy: -3.071
local terms energy: -636.192375
where:
bonds (distance) C4'-P energy: -115.599
bonds (distance) P-C4' energy: -125.923
flat angles C4'-P-C4' energy: -141.810
flat angles P-C4'-P energy: -73.042
tors. eta vs tors. theta energy: -179.818
Dist. restrs. and SS energy: 26.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -1983.044485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.044485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.869691 (E_RNA)
where:
Base-Base interactions energy: -1406.245
where: short stacking energy: -583.794
Base-Backbone interact. energy: 0.303
local terms energy: -588.928508
where:
bonds (distance) C4'-P energy: -103.980
bonds (distance) P-C4' energy: -97.194
flat angles C4'-P-C4' energy: -137.494
flat angles P-C4'-P energy: -88.322
tors. eta vs tors. theta energy: -161.940
Dist. restrs. and SS energy: 11.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -2788.117829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.117829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.089274 (E_RNA)
where:
Base-Base interactions energy: -1946.403
where: short stacking energy: -809.714
Base-Backbone interact. energy: -4.181
local terms energy: -841.505065
where:
bonds (distance) C4'-P energy: -144.029
bonds (distance) P-C4' energy: -145.795
flat angles C4'-P-C4' energy: -179.371
flat angles P-C4'-P energy: -127.040
tors. eta vs tors. theta energy: -245.269
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: 2, replica: 8
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -2644.872422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.872422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.837697 (E_RNA)
where:
Base-Base interactions energy: -1845.931
where: short stacking energy: -792.193
Base-Backbone interact. energy: -0.284
local terms energy: -801.621890
where:
bonds (distance) C4'-P energy: -140.216
bonds (distance) P-C4' energy: -149.492
flat angles C4'-P-C4' energy: -163.438
flat angles P-C4'-P energy: -109.605
tors. eta vs tors. theta energy: -238.870
Dist. restrs. and SS energy: 2.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -2686.713049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.713049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.716302 (E_RNA)
where:
Base-Base interactions energy: -1867.039
where: short stacking energy: -802.653
Base-Backbone interact. energy: 0.543
local terms energy: -826.220599
where:
bonds (distance) C4'-P energy: -135.511
bonds (distance) P-C4' energy: -147.641
flat angles C4'-P-C4' energy: -172.588
flat angles P-C4'-P energy: -119.955
tors. eta vs tors. theta energy: -250.525
Dist. restrs. and SS energy: 6.003 (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: 2
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -2547.244370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.244370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.412007 (E_RNA)
where:
Base-Base interactions energy: -1784.903
where: short stacking energy: -761.868
Base-Backbone interact. energy: 2.552
local terms energy: -770.060680
where:
bonds (distance) C4'-P energy: -122.708
bonds (distance) P-C4' energy: -131.638
flat angles C4'-P-C4' energy: -167.152
flat angles P-C4'-P energy: -121.147
tors. eta vs tors. theta energy: -227.416
Dist. restrs. and SS energy: 5.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -2479.699815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.699815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.402690 (E_RNA)
where:
Base-Base interactions energy: -1743.366
where: short stacking energy: -723.900
Base-Backbone interact. energy: -3.811
local terms energy: -737.225957
where:
bonds (distance) C4'-P energy: -122.547
bonds (distance) P-C4' energy: -145.752
flat angles C4'-P-C4' energy: -150.116
flat angles P-C4'-P energy: -100.922
tors. eta vs tors. theta energy: -217.889
Dist. restrs. and SS energy: 4.703 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -2351.141451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.141451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.655920 (E_RNA)
where:
Base-Base interactions energy: -1683.951
where: short stacking energy: -693.799
Base-Backbone interact. energy: -2.378
local terms energy: -672.326344
where:
bonds (distance) C4'-P energy: -96.528
bonds (distance) P-C4' energy: -115.368
flat angles C4'-P-C4' energy: -154.300
flat angles P-C4'-P energy: -95.751
tors. eta vs tors. theta energy: -210.380
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: 7, replica: 6
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -2293.005242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.005242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.346387 (E_RNA)
where:
Base-Base interactions energy: -1619.831
where: short stacking energy: -652.726
Base-Backbone interact. energy: 2.478
local terms energy: -684.993030
where:
bonds (distance) C4'-P energy: -129.317
bonds (distance) P-C4' energy: -122.159
flat angles C4'-P-C4' energy: -152.766
flat angles P-C4'-P energy: -93.665
tors. eta vs tors. theta energy: -187.086
Dist. restrs. and SS energy: 9.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -2232.584951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.584951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.616684 (E_RNA)
where:
Base-Base interactions energy: -1577.917
where: short stacking energy: -661.347
Base-Backbone interact. energy: -1.664
local terms energy: -661.036044
where:
bonds (distance) C4'-P energy: -118.662
bonds (distance) P-C4' energy: -114.876
flat angles C4'-P-C4' energy: -137.433
flat angles P-C4'-P energy: -96.256
tors. eta vs tors. theta energy: -193.808
Dist. restrs. and SS energy: 8.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -1998.094119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.094119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.759278 (E_RNA)
where:
Base-Base interactions energy: -1396.592
where: short stacking energy: -567.991
Base-Backbone interact. energy: -0.080
local terms energy: -630.086868
where:
bonds (distance) C4'-P energy: -102.597
bonds (distance) P-C4' energy: -139.235
flat angles C4'-P-C4' energy: -134.290
flat angles P-C4'-P energy: -90.429
tors. eta vs tors. theta energy: -163.536
Dist. restrs. and SS energy: 28.665 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -2050.482359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.482359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.727986 (E_RNA)
where:
Base-Base interactions energy: -1458.530
where: short stacking energy: -618.452
Base-Backbone interact. energy: -0.513
local terms energy: -601.685163
where:
bonds (distance) C4'-P energy: -108.134
bonds (distance) P-C4' energy: -97.913
flat angles C4'-P-C4' energy: -131.592
flat angles P-C4'-P energy: -91.959
tors. eta vs tors. theta energy: -172.088
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: 1, replica: 3
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -2803.594488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.594488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.263386 (E_RNA)
where:
Base-Base interactions energy: -1980.096
where: short stacking energy: -815.974
Base-Backbone interact. energy: -3.731
local terms energy: -824.436794
where:
bonds (distance) C4'-P energy: -151.758
bonds (distance) P-C4' energy: -149.146
flat angles C4'-P-C4' energy: -170.845
flat angles P-C4'-P energy: -112.503
tors. eta vs tors. theta energy: -240.186
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: 2, replica: 8
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -2638.179287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.179287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.089255 (E_RNA)
where:
Base-Base interactions energy: -1865.384
where: short stacking energy: -789.670
Base-Backbone interact. energy: -2.336
local terms energy: -772.369394
where:
bonds (distance) C4'-P energy: -128.952
bonds (distance) P-C4' energy: -142.159
flat angles C4'-P-C4' energy: -155.758
flat angles P-C4'-P energy: -108.643
tors. eta vs tors. theta energy: -236.857
Dist. restrs. and SS energy: 1.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -2658.568244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.568244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.574377 (E_RNA)
where:
Base-Base interactions energy: -1864.851
where: short stacking energy: -798.629
Base-Backbone interact. energy: -5.679
local terms energy: -791.044347
where:
bonds (distance) C4'-P energy: -136.018
bonds (distance) P-C4' energy: -157.807
flat angles C4'-P-C4' energy: -150.193
flat angles P-C4'-P energy: -108.249
tors. eta vs tors. theta energy: -238.776
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: 4, replica: 2
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -2511.845919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.845919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.087884 (E_RNA)
where:
Base-Base interactions energy: -1780.849
where: short stacking energy: -737.307
Base-Backbone interact. energy: -1.618
local terms energy: -734.621396
where:
bonds (distance) C4'-P energy: -130.535
bonds (distance) P-C4' energy: -122.206
flat angles C4'-P-C4' energy: -159.888
flat angles P-C4'-P energy: -94.647
tors. eta vs tors. theta energy: -227.346
Dist. restrs. and SS energy: 5.242 (S_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: 314
Temperature: 1.100000
Total energy: -2457.931987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.931987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.864839 (E_RNA)
where:
Base-Base interactions energy: -1752.406
where: short stacking energy: -718.836
Base-Backbone interact. energy: 0.513
local terms energy: -712.971842
where:
bonds (distance) C4'-P energy: -107.444
bonds (distance) P-C4' energy: -131.750
flat angles C4'-P-C4' energy: -148.625
flat angles P-C4'-P energy: -116.685
tors. eta vs tors. theta energy: -208.468
Dist. restrs. and SS energy: 6.933 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -2368.563458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.563458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.266753 (E_RNA)
where:
Base-Base interactions energy: -1655.478
where: short stacking energy: -688.855
Base-Backbone interact. energy: -2.966
local terms energy: -719.821974
where:
bonds (distance) C4'-P energy: -122.411
bonds (distance) P-C4' energy: -134.116
flat angles C4'-P-C4' energy: -154.236
flat angles P-C4'-P energy: -114.592
tors. eta vs tors. theta energy: -194.467
Dist. restrs. and SS energy: 9.703 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -2265.717914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.717914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.320779 (E_RNA)
where:
Base-Base interactions energy: -1605.104
where: short stacking energy: -671.633
Base-Backbone interact. energy: -1.528
local terms energy: -669.688639
where:
bonds (distance) C4'-P energy: -109.479
bonds (distance) P-C4' energy: -132.158
flat angles C4'-P-C4' energy: -144.665
flat angles P-C4'-P energy: -79.690
tors. eta vs tors. theta energy: -203.696
Dist. restrs. and SS energy: 10.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -2226.582159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.582159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.188851 (E_RNA)
where:
Base-Base interactions energy: -1592.144
where: short stacking energy: -658.112
Base-Backbone interact. energy: -0.789
local terms energy: -642.255819
where:
bonds (distance) C4'-P energy: -99.602
bonds (distance) P-C4' energy: -112.718
flat angles C4'-P-C4' energy: -153.499
flat angles P-C4'-P energy: -97.448
tors. eta vs tors. theta energy: -178.989
Dist. restrs. and SS energy: 8.607 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -2062.123112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.123112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.794576 (E_RNA)
where:
Base-Base interactions energy: -1479.044
where: short stacking energy: -604.998
Base-Backbone interact. energy: -0.248
local terms energy: -595.502707
where:
bonds (distance) C4'-P energy: -123.966
bonds (distance) P-C4' energy: -103.410
flat angles C4'-P-C4' energy: -117.459
flat angles P-C4'-P energy: -76.967
tors. eta vs tors. theta energy: -173.700
Dist. restrs. and SS energy: 12.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -1939.019497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.019497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.954226 (E_RNA)
where:
Base-Base interactions energy: -1344.453
where: short stacking energy: -564.343
Base-Backbone interact. energy: -0.328
local terms energy: -619.172881
where:
bonds (distance) C4'-P energy: -121.000
bonds (distance) P-C4' energy: -123.827
flat angles C4'-P-C4' energy: -135.079
flat angles P-C4'-P energy: -71.381
tors. eta vs tors. theta energy: -167.886
Dist. restrs. and SS energy: 24.935 (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: 3
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -2801.587799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2801.587799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.819847 (E_RNA)
where:
Base-Base interactions energy: -1969.212
where: short stacking energy: -813.507
Base-Backbone interact. energy: -5.558
local terms energy: -830.049859
where:
bonds (distance) C4'-P energy: -149.569
bonds (distance) P-C4' energy: -142.857
flat angles C4'-P-C4' energy: -168.835
flat angles P-C4'-P energy: -119.006
tors. eta vs tors. theta energy: -249.783
Dist. restrs. and SS energy: 3.232 (S_DIST_RNA)
chem. 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: -2638.942360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.942360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.938171 (E_RNA)
where:
Base-Base interactions energy: -1859.921
where: short stacking energy: -795.250
Base-Backbone interact. energy: -3.557
local terms energy: -778.460026
where:
bonds (distance) C4'-P energy: -122.347
bonds (distance) P-C4' energy: -134.009
flat angles C4'-P-C4' energy: -167.348
flat angles P-C4'-P energy: -110.773
tors. eta vs tors. theta energy: -243.984
Dist. restrs. and SS energy: 2.996 (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: 10
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -2638.762299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.762299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.472492 (E_RNA)
where:
Base-Base interactions energy: -1876.159
where: short stacking energy: -796.963
Base-Backbone interact. energy: -0.641
local terms energy: -765.672989
where:
bonds (distance) C4'-P energy: -121.666
bonds (distance) P-C4' energy: -123.281
flat angles C4'-P-C4' energy: -160.384
flat angles P-C4'-P energy: -116.344
tors. eta vs tors. theta energy: -243.998
Dist. restrs. and SS energy: 3.710 (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: 5
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -2514.210099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.210099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.575624 (E_RNA)
where:
Base-Base interactions energy: -1774.855
where: short stacking energy: -739.151
Base-Backbone interact. energy: -2.613
local terms energy: -741.107726
where:
bonds (distance) C4'-P energy: -123.785
bonds (distance) P-C4' energy: -139.707
flat angles C4'-P-C4' energy: -153.870
flat angles P-C4'-P energy: -104.745
tors. eta vs tors. theta energy: -219.000
Dist. restrs. and SS energy: 4.366 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -2436.242822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.242822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.096307 (E_RNA)
where:
Base-Base interactions energy: -1717.463
where: short stacking energy: -715.299
Base-Backbone interact. energy: 5.485
local terms energy: -729.119048
where:
bonds (distance) C4'-P energy: -121.808
bonds (distance) P-C4' energy: -138.663
flat angles C4'-P-C4' energy: -151.001
flat angles P-C4'-P energy: -98.861
tors. eta vs tors. theta energy: -218.786
Dist. restrs. and SS energy: 4.853 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -2393.370062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.370062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.367217 (E_RNA)
where:
Base-Base interactions energy: -1695.282
where: short stacking energy: -691.283
Base-Backbone interact. energy: -2.455
local terms energy: -701.629887
where:
bonds (distance) C4'-P energy: -128.609
bonds (distance) P-C4' energy: -132.918
flat angles C4'-P-C4' energy: -146.635
flat angles P-C4'-P energy: -91.309
tors. eta vs tors. theta energy: -202.160
Dist. restrs. and SS energy: 5.997 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -2268.078924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.078924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.713793 (E_RNA)
where:
Base-Base interactions energy: -1595.605
where: short stacking energy: -641.046
Base-Backbone interact. energy: -4.090
local terms energy: -673.019347
where:
bonds (distance) C4'-P energy: -111.667
bonds (distance) P-C4' energy: -129.828
flat angles C4'-P-C4' energy: -147.634
flat angles P-C4'-P energy: -97.386
tors. eta vs tors. theta energy: -186.504
Dist. restrs. and SS energy: 4.635 (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: 9
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -2249.470607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.470607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.474343 (E_RNA)
where:
Base-Base interactions energy: -1588.859
where: short stacking energy: -673.404
Base-Backbone interact. energy: 1.583
local terms energy: -671.197739
where:
bonds (distance) C4'-P energy: -120.531
bonds (distance) P-C4' energy: -99.986
flat angles C4'-P-C4' energy: -153.639
flat angles P-C4'-P energy: -98.494
tors. eta vs tors. theta energy: -198.548
Dist. restrs. and SS energy: 9.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -2065.971456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.971456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.428612 (E_RNA)
where:
Base-Base interactions energy: -1451.418
where: short stacking energy: -617.709
Base-Backbone interact. energy: -0.137
local terms energy: -633.873810
where:
bonds (distance) C4'-P energy: -120.752
bonds (distance) P-C4' energy: -112.782
flat angles C4'-P-C4' energy: -148.214
flat angles P-C4'-P energy: -68.799
tors. eta vs tors. theta energy: -183.327
Dist. restrs. and SS energy: 19.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -1990.265904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.265904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.112608 (E_RNA)
where:
Base-Base interactions energy: -1396.557
where: short stacking energy: -593.790
Base-Backbone interact. energy: 2.664
local terms energy: -619.219057
where:
bonds (distance) C4'-P energy: -110.895
bonds (distance) P-C4' energy: -118.547
flat angles C4'-P-C4' energy: -138.301
flat angles P-C4'-P energy: -70.830
tors. eta vs tors. theta energy: -180.645
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: 1, replica: 3
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -2812.036971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.036971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2815.767875 (E_RNA)
where:
Base-Base interactions energy: -1995.148
where: short stacking energy: -817.013
Base-Backbone interact. energy: 0.176
local terms energy: -820.795433
where:
bonds (distance) C4'-P energy: -143.541
bonds (distance) P-C4' energy: -135.158
flat angles C4'-P-C4' energy: -174.698
flat angles P-C4'-P energy: -120.056
tors. eta vs tors. theta energy: -247.343
Dist. restrs. and SS energy: 3.731 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -2636.697595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.697595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.011289 (E_RNA)
where:
Base-Base interactions energy: -1832.024
where: short stacking energy: -785.276
Base-Backbone interact. energy: -1.457
local terms energy: -804.530360
where:
bonds (distance) C4'-P energy: -151.986
bonds (distance) P-C4' energy: -142.456
flat angles C4'-P-C4' energy: -162.460
flat angles P-C4'-P energy: -111.840
tors. eta vs tors. theta energy: -235.789
Dist. restrs. and SS energy: 1.314 (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: 10
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -2650.494454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.494454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.957240 (E_RNA)
where:
Base-Base interactions energy: -1863.808
where: short stacking energy: -794.245
Base-Backbone interact. energy: -3.170
local terms energy: -786.979185
where:
bonds (distance) C4'-P energy: -134.417
bonds (distance) P-C4' energy: -131.831
flat angles C4'-P-C4' energy: -166.850
flat angles P-C4'-P energy: -103.205
tors. eta vs tors. theta energy: -250.676
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: 4, replica: 5
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -2545.584194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.584194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.549304 (E_RNA)
where:
Base-Base interactions energy: -1764.917
where: short stacking energy: -756.084
Base-Backbone interact. energy: -3.596
local terms energy: -782.036431
where:
bonds (distance) C4'-P energy: -133.161
bonds (distance) P-C4' energy: -148.967
flat angles C4'-P-C4' energy: -161.555
flat angles P-C4'-P energy: -115.195
tors. eta vs tors. theta energy: -223.159
Dist. restrs. and SS energy: 4.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -2444.677617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.677617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.514733 (E_RNA)
where:
Base-Base interactions energy: -1701.694
where: short stacking energy: -728.621
Base-Backbone interact. energy: 0.577
local terms energy: -749.398049
where:
bonds (distance) C4'-P energy: -123.178
bonds (distance) P-C4' energy: -135.730
flat angles C4'-P-C4' energy: -157.522
flat angles P-C4'-P energy: -105.320
tors. eta vs tors. theta energy: -227.649
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: 1
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -2370.893550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.893550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.860696 (E_RNA)
where:
Base-Base interactions energy: -1650.346
where: short stacking energy: -686.673
Base-Backbone interact. energy: -2.987
local terms energy: -724.528159
where:
bonds (distance) C4'-P energy: -128.508
bonds (distance) P-C4' energy: -121.073
flat angles C4'-P-C4' energy: -166.381
flat angles P-C4'-P energy: -91.843
tors. eta vs tors. theta energy: -216.722
Dist. restrs. and SS energy: 6.967 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -2266.782043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.782043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.756305 (E_RNA)
where:
Base-Base interactions energy: -1600.739
where: short stacking energy: -683.047
Base-Backbone interact. energy: 2.997
local terms energy: -679.014321
where:
bonds (distance) C4'-P energy: -114.532
bonds (distance) P-C4' energy: -114.238
flat angles C4'-P-C4' energy: -156.610
flat angles P-C4'-P energy: -96.845
tors. eta vs tors. theta energy: -196.789
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: 8, replica: 9
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -2237.885579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.885579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.677700 (E_RNA)
where:
Base-Base interactions energy: -1565.410
where: short stacking energy: -643.802
Base-Backbone interact. energy: -0.692
local terms energy: -685.576160
where:
bonds (distance) C4'-P energy: -119.388
bonds (distance) P-C4' energy: -131.080
flat angles C4'-P-C4' energy: -153.042
flat angles P-C4'-P energy: -92.057
tors. eta vs tors. theta energy: -190.010
Dist. restrs. and SS energy: 13.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -2042.497693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.497693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.914510 (E_RNA)
where:
Base-Base interactions energy: -1465.535
where: short stacking energy: -608.334
Base-Backbone interact. energy: -3.065
local terms energy: -584.314999
where:
bonds (distance) C4'-P energy: -101.080
bonds (distance) P-C4' energy: -116.920
flat angles C4'-P-C4' energy: -109.302
flat angles P-C4'-P energy: -91.105
tors. eta vs tors. theta energy: -165.909
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: 10, replica: 7
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -1949.874468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.874468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.990412 (E_RNA)
where:
Base-Base interactions energy: -1391.150
where: short stacking energy: -583.413
Base-Backbone interact. energy: 7.865
local terms energy: -598.705979
where:
bonds (distance) C4'-P energy: -121.999
bonds (distance) P-C4' energy: -105.082
flat angles C4'-P-C4' energy: -129.538
flat angles P-C4'-P energy: -70.527
tors. eta vs tors. theta energy: -171.560
Dist. restrs. and SS energy: 32.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -2794.456504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.456504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.950903 (E_RNA)
where:
Base-Base interactions energy: -1984.687
where: short stacking energy: -817.704
Base-Backbone interact. energy: 4.275
local terms energy: -817.538434
where:
bonds (distance) C4'-P energy: -155.389
bonds (distance) P-C4' energy: -133.587
flat angles C4'-P-C4' energy: -169.397
flat angles P-C4'-P energy: -116.000
tors. eta vs tors. theta energy: -243.165
Dist. restrs. and SS energy: 3.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -2741.123074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.123074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.204718 (E_RNA)
where:
Base-Base interactions energy: -1902.590
where: short stacking energy: -817.550
Base-Backbone interact. energy: -1.844
local terms energy: -839.771226
where:
bonds (distance) C4'-P energy: -133.947
bonds (distance) P-C4' energy: -153.231
flat angles C4'-P-C4' energy: -184.283
flat angles P-C4'-P energy: -104.276
tors. eta vs tors. theta energy: -264.033
Dist. restrs. and SS energy: 3.082 (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: 8
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -2589.103825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.103825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.534873 (E_RNA)
where:
Base-Base interactions energy: -1827.482
where: short stacking energy: -802.055
Base-Backbone interact. energy: 0.253
local terms energy: -763.305655
where:
bonds (distance) C4'-P energy: -124.951
bonds (distance) P-C4' energy: -137.535
flat angles C4'-P-C4' energy: -161.183
flat angles P-C4'-P energy: -106.343
tors. eta vs tors. theta energy: -233.293
Dist. restrs. and SS energy: 1.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -2539.070888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.070888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.304951 (E_RNA)
where:
Base-Base interactions energy: -1779.501
where: short stacking energy: -730.435
Base-Backbone interact. energy: -4.990
local terms energy: -760.813537
where:
bonds (distance) C4'-P energy: -130.488
bonds (distance) P-C4' energy: -127.569
flat angles C4'-P-C4' energy: -170.010
flat angles P-C4'-P energy: -119.045
tors. eta vs tors. theta energy: -213.702
Dist. restrs. and SS energy: 6.234 (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: 2
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -2462.779082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.779082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.591556 (E_RNA)
where:
Base-Base interactions energy: -1732.650
where: short stacking energy: -734.658
Base-Backbone interact. energy: -0.185
local terms energy: -735.756293
where:
bonds (distance) C4'-P energy: -130.880
bonds (distance) P-C4' energy: -126.899
flat angles C4'-P-C4' energy: -151.920
flat angles P-C4'-P energy: -106.168
tors. eta vs tors. theta energy: -219.889
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: 6, replica: 1
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -2359.437347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.437347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.713264 (E_RNA)
where:
Base-Base interactions energy: -1665.357
where: short stacking energy: -692.167
Base-Backbone interact. energy: 0.267
local terms energy: -702.622878
where:
bonds (distance) C4'-P energy: -118.143
bonds (distance) P-C4' energy: -128.477
flat angles C4'-P-C4' energy: -155.802
flat angles P-C4'-P energy: -99.383
tors. eta vs tors. theta energy: -200.817
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: 7, replica: 6
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -2278.125923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.125923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.146510 (E_RNA)
where:
Base-Base interactions energy: -1632.527
where: short stacking energy: -695.494
Base-Backbone interact. energy: -2.749
local terms energy: -649.870546
where:
bonds (distance) C4'-P energy: -96.638
bonds (distance) P-C4' energy: -111.324
flat angles C4'-P-C4' energy: -153.572
flat angles P-C4'-P energy: -82.999
tors. eta vs tors. theta energy: -205.337
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: 8, replica: 9
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -2216.401769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.401769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.420346 (E_RNA)
where:
Base-Base interactions energy: -1569.641
where: short stacking energy: -659.948
Base-Backbone interact. energy: 5.827
local terms energy: -664.605735
where:
bonds (distance) C4'-P energy: -115.816
bonds (distance) P-C4' energy: -139.511
flat angles C4'-P-C4' energy: -139.228
flat angles P-C4'-P energy: -81.488
tors. eta vs tors. theta energy: -188.563
Dist. restrs. and SS energy: 12.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -2063.428576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.428576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.309073 (E_RNA)
where:
Base-Base interactions energy: -1463.350
where: short stacking energy: -590.323
Base-Backbone interact. energy: 3.370
local terms energy: -614.328649
where:
bonds (distance) C4'-P energy: -107.057
bonds (distance) P-C4' energy: -123.023
flat angles C4'-P-C4' energy: -133.356
flat angles P-C4'-P energy: -82.075
tors. eta vs tors. theta energy: -168.817
Dist. restrs. and SS energy: 10.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -1954.160503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.160503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.906354 (E_RNA)
where:
Base-Base interactions energy: -1410.206
where: short stacking energy: -605.530
Base-Backbone interact. energy: 2.389
local terms energy: -569.089933
where:
bonds (distance) C4'-P energy: -105.539
bonds (distance) P-C4' energy: -112.427
flat angles C4'-P-C4' energy: -115.907
flat angles P-C4'-P energy: -69.771
tors. eta vs tors. theta energy: -165.446
Dist. restrs. and SS energy: 22.746 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -2783.857542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.857542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.567329 (E_RNA)
where:
Base-Base interactions energy: -1985.785
where: short stacking energy: -831.921
Base-Backbone interact. energy: -2.565
local terms energy: -799.217717
where:
bonds (distance) C4'-P energy: -139.843
bonds (distance) P-C4' energy: -123.102
flat angles C4'-P-C4' energy: -169.690
flat angles P-C4'-P energy: -119.079
tors. eta vs tors. theta energy: -247.505
Dist. restrs. and SS energy: 3.710 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -2723.623643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.623643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.160800 (E_RNA)
where:
Base-Base interactions energy: -1916.464
where: short stacking energy: -809.022
Base-Backbone interact. energy: 3.186
local terms energy: -813.882462
where:
bonds (distance) C4'-P energy: -143.126
bonds (distance) P-C4' energy: -138.986
flat angles C4'-P-C4' energy: -169.170
flat angles P-C4'-P energy: -106.759
tors. eta vs tors. theta energy: -255.841
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: 3, replica: 8
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -2596.145399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.145399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.505904 (E_RNA)
where:
Base-Base interactions energy: -1828.665
where: short stacking energy: -800.262
Base-Backbone interact. energy: 1.843
local terms energy: -771.684473
where:
bonds (distance) C4'-P energy: -138.595
bonds (distance) P-C4' energy: -126.331
flat angles C4'-P-C4' energy: -159.281
flat angles P-C4'-P energy: -111.798
tors. eta vs tors. theta energy: -235.678
Dist. restrs. and SS energy: 2.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -2511.927270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.927270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.772563 (E_RNA)
where:
Base-Base interactions energy: -1777.993
where: short stacking energy: -752.210
Base-Backbone interact. energy: -1.874
local terms energy: -738.904849
where:
bonds (distance) C4'-P energy: -130.704
bonds (distance) P-C4' energy: -127.057
flat angles C4'-P-C4' energy: -157.637
flat angles P-C4'-P energy: -100.672
tors. eta vs tors. theta energy: -222.835
Dist. restrs. and SS energy: 6.845 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -2474.318248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.318248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.448879 (E_RNA)
where:
Base-Base interactions energy: -1748.389
where: short stacking energy: -752.148
Base-Backbone interact. energy: -1.770
local terms energy: -736.289804
where:
bonds (distance) C4'-P energy: -108.141
bonds (distance) P-C4' energy: -128.714
flat angles C4'-P-C4' energy: -161.021
flat angles P-C4'-P energy: -103.264
tors. eta vs tors. theta energy: -235.150
Dist. restrs. and SS energy: 12.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -2397.267867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.267867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.903197 (E_RNA)
where:
Base-Base interactions energy: -1667.107
where: short stacking energy: -711.438
Base-Backbone interact. energy: -4.152
local terms energy: -732.644955
where:
bonds (distance) C4'-P energy: -128.494
bonds (distance) P-C4' energy: -139.187
flat angles C4'-P-C4' energy: -158.269
flat angles P-C4'-P energy: -93.766
tors. eta vs tors. theta energy: -212.929
Dist. restrs. and SS energy: 6.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -2306.845142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.845142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.328077 (E_RNA)
where:
Base-Base interactions energy: -1636.758
where: short stacking energy: -692.255
Base-Backbone interact. energy: -1.254
local terms energy: -678.316144
where:
bonds (distance) C4'-P energy: -123.718
bonds (distance) P-C4' energy: -107.746
flat angles C4'-P-C4' energy: -153.131
flat angles P-C4'-P energy: -88.658
tors. eta vs tors. theta energy: -205.063
Dist. restrs. and SS energy: 9.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -2208.630732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.630732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.689522 (E_RNA)
where:
Base-Base interactions energy: -1546.018
where: short stacking energy: -634.320
Base-Backbone interact. energy: -1.486
local terms energy: -669.185613
where:
bonds (distance) C4'-P energy: -113.977
bonds (distance) P-C4' energy: -117.215
flat angles C4'-P-C4' energy: -153.197
flat angles P-C4'-P energy: -99.548
tors. eta vs tors. theta energy: -185.249
Dist. restrs. and SS energy: 8.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -2058.785363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.785363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.157624 (E_RNA)
where:
Base-Base interactions energy: -1482.830
where: short stacking energy: -616.088
Base-Backbone interact. energy: 5.351
local terms energy: -592.678723
where:
bonds (distance) C4'-P energy: -106.848
bonds (distance) P-C4' energy: -115.267
flat angles C4'-P-C4' energy: -134.347
flat angles P-C4'-P energy: -67.299
tors. eta vs tors. theta energy: -168.918
Dist. restrs. and SS energy: 11.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -1948.425612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.425612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.117174 (E_RNA)
where:
Base-Base interactions energy: -1377.139
where: short stacking energy: -549.453
Base-Backbone interact. energy: -1.547
local terms energy: -591.430743
where:
bonds (distance) C4'-P energy: -99.793
bonds (distance) P-C4' energy: -108.452
flat angles C4'-P-C4' energy: -120.294
flat angles P-C4'-P energy: -95.977
tors. eta vs tors. theta energy: -166.914
Dist. restrs. and SS energy: 21.692 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -2805.182071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.182071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.874899 (E_RNA)
where:
Base-Base interactions energy: -1982.249
where: short stacking energy: -788.968
Base-Backbone interact. energy: -4.178
local terms energy: -822.448477
where:
bonds (distance) C4'-P energy: -146.675
bonds (distance) P-C4' energy: -146.764
flat angles C4'-P-C4' energy: -170.872
flat angles P-C4'-P energy: -114.088
tors. eta vs tors. theta energy: -244.049
Dist. restrs. and SS energy: 3.693 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -2752.135748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2752.135748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2755.178315 (E_RNA)
where:
Base-Base interactions energy: -1939.233
where: short stacking energy: -844.444
Base-Backbone interact. energy: -1.724
local terms energy: -814.220955
where:
bonds (distance) C4'-P energy: -133.357
bonds (distance) P-C4' energy: -147.443
flat angles C4'-P-C4' energy: -172.342
flat angles P-C4'-P energy: -106.581
tors. eta vs tors. theta energy: -254.498
Dist. restrs. and SS energy: 3.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -2604.852524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.852524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.693548 (E_RNA)
where:
Base-Base interactions energy: -1825.922
where: short stacking energy: -791.558
Base-Backbone interact. energy: -3.584
local terms energy: -780.187848
where:
bonds (distance) C4'-P energy: -129.315
bonds (distance) P-C4' energy: -151.047
flat angles C4'-P-C4' energy: -147.877
flat angles P-C4'-P energy: -112.005
tors. eta vs tors. theta energy: -239.943
Dist. restrs. and SS energy: 4.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -2507.582733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.582733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.690264 (E_RNA)
where:
Base-Base interactions energy: -1763.255
where: short stacking energy: -721.019
Base-Backbone interact. energy: -3.522
local terms energy: -746.913528
where:
bonds (distance) C4'-P energy: -119.914
bonds (distance) P-C4' energy: -126.680
flat angles C4'-P-C4' energy: -168.824
flat angles P-C4'-P energy: -109.064
tors. eta vs tors. theta energy: -222.432
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: 5, replica: 2
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -2443.564145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.564145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.414305 (E_RNA)
where:
Base-Base interactions energy: -1717.566
where: short stacking energy: -723.415
Base-Backbone interact. energy: -2.874
local terms energy: -728.974909
where:
bonds (distance) C4'-P energy: -128.830
bonds (distance) P-C4' energy: -129.619
flat angles C4'-P-C4' energy: -151.294
flat angles P-C4'-P energy: -105.224
tors. eta vs tors. theta energy: -214.008
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: 6, replica: 6
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -2360.514327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.514327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.351965 (E_RNA)
where:
Base-Base interactions energy: -1652.032
where: short stacking energy: -716.742
Base-Backbone interact. energy: -2.339
local terms energy: -717.981350
where:
bonds (distance) C4'-P energy: -124.029
bonds (distance) P-C4' energy: -133.785
flat angles C4'-P-C4' energy: -154.887
flat angles P-C4'-P energy: -101.291
tors. eta vs tors. theta energy: -203.990
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: 7, replica: 1
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -2292.111029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.111029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.595204 (E_RNA)
where:
Base-Base interactions energy: -1627.727
where: short stacking energy: -660.814
Base-Backbone interact. energy: -2.133
local terms energy: -674.735873
where:
bonds (distance) C4'-P energy: -116.909
bonds (distance) P-C4' energy: -114.271
flat angles C4'-P-C4' energy: -158.252
flat angles P-C4'-P energy: -90.861
tors. eta vs tors. theta energy: -194.443
Dist. restrs. and SS energy: 12.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -2254.205113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.205113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.356164 (E_RNA)
where:
Base-Base interactions energy: -1608.000
where: short stacking energy: -675.452
Base-Backbone interact. energy: -0.622
local terms energy: -657.733736
where:
bonds (distance) C4'-P energy: -108.210
bonds (distance) P-C4' energy: -108.974
flat angles C4'-P-C4' energy: -141.906
flat angles P-C4'-P energy: -87.526
tors. eta vs tors. theta energy: -211.117
Dist. restrs. and SS energy: 12.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -2033.493309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.493309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.301296 (E_RNA)
where:
Base-Base interactions energy: -1445.025
where: short stacking energy: -594.916
Base-Backbone interact. energy: -2.300
local terms energy: -595.976175
where:
bonds (distance) C4'-P energy: -106.614
bonds (distance) P-C4' energy: -117.370
flat angles C4'-P-C4' energy: -127.318
flat angles P-C4'-P energy: -76.866
tors. eta vs tors. theta energy: -167.809
Dist. restrs. and SS energy: 9.808 (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: 7
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -1971.336653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.336653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.395309 (E_RNA)
where:
Base-Base interactions energy: -1363.997
where: short stacking energy: -551.171
Base-Backbone interact. energy: 2.097
local terms energy: -634.495602
where:
bonds (distance) C4'-P energy: -132.718
bonds (distance) P-C4' energy: -104.813
flat angles C4'-P-C4' energy: -135.132
flat angles P-C4'-P energy: -86.511
tors. eta vs tors. theta energy: -175.321
Dist. restrs. and SS energy: 25.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -2834.898067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2834.898067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2838.972809 (E_RNA)
where:
Base-Base interactions energy: -2005.050
where: short stacking energy: -835.900
Base-Backbone interact. energy: -0.615
local terms energy: -833.307441
where:
bonds (distance) C4'-P energy: -129.051
bonds (distance) P-C4' energy: -158.481
flat angles C4'-P-C4' energy: -184.639
flat angles P-C4'-P energy: -113.907
tors. eta vs tors. theta energy: -247.229
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: 2, replica: 10
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -2742.697864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.697864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.687443 (E_RNA)
where:
Base-Base interactions energy: -1921.369
where: short stacking energy: -836.619
Base-Backbone interact. energy: -2.945
local terms energy: -822.372989
where:
bonds (distance) C4'-P energy: -140.618
bonds (distance) P-C4' energy: -148.545
flat angles C4'-P-C4' energy: -163.634
flat angles P-C4'-P energy: -113.258
tors. eta vs tors. theta energy: -256.318
Dist. restrs. and SS energy: 3.990 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -2611.205257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.205257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.475845 (E_RNA)
where:
Base-Base interactions energy: -1790.703
where: short stacking energy: -768.552
Base-Backbone interact. energy: -0.314
local terms energy: -823.459496
where:
bonds (distance) C4'-P energy: -147.099
bonds (distance) P-C4' energy: -145.442
flat angles C4'-P-C4' energy: -169.746
flat angles P-C4'-P energy: -122.037
tors. eta vs tors. theta energy: -239.136
Dist. restrs. and SS energy: 3.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -2499.173880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.173880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.897544 (E_RNA)
where:
Base-Base interactions energy: -1753.426
where: short stacking energy: -729.061
Base-Backbone interact. energy: -0.645
local terms energy: -747.827023
where:
bonds (distance) C4'-P energy: -130.347
bonds (distance) P-C4' energy: -129.158
flat angles C4'-P-C4' energy: -164.196
flat angles P-C4'-P energy: -102.499
tors. eta vs tors. theta energy: -221.627
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: 2
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -2462.548966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.548966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.370884 (E_RNA)
where:
Base-Base interactions energy: -1732.873
where: short stacking energy: -735.448
Base-Backbone interact. energy: -2.872
local terms energy: -731.625592
where:
bonds (distance) C4'-P energy: -130.670
bonds (distance) P-C4' energy: -131.072
flat angles C4'-P-C4' energy: -163.894
flat angles P-C4'-P energy: -83.440
tors. eta vs tors. theta energy: -222.550
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: 6, replica: 6
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -2376.085029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.085029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.019702 (E_RNA)
where:
Base-Base interactions energy: -1700.671
where: short stacking energy: -703.986
Base-Backbone interact. energy: -4.231
local terms energy: -677.117773
where:
bonds (distance) C4'-P energy: -101.119
bonds (distance) P-C4' energy: -124.000
flat angles C4'-P-C4' energy: -160.109
flat angles P-C4'-P energy: -91.457
tors. eta vs tors. theta energy: -200.433
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: 7, replica: 9
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -2299.654232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.654232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.970127 (E_RNA)
where:
Base-Base interactions energy: -1610.612
where: short stacking energy: -687.113
Base-Backbone interact. energy: 4.123
local terms energy: -704.480384
where:
bonds (distance) C4'-P energy: -122.748
bonds (distance) P-C4' energy: -109.750
flat angles C4'-P-C4' energy: -151.676
flat angles P-C4'-P energy: -111.776
tors. eta vs tors. theta energy: -208.530
Dist. restrs. and SS energy: 11.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -2248.815921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.815921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.311282 (E_RNA)
where:
Base-Base interactions energy: -1600.373
where: short stacking energy: -668.397
Base-Backbone interact. energy: -2.145
local terms energy: -654.793769
where:
bonds (distance) C4'-P energy: -116.738
bonds (distance) P-C4' energy: -120.596
flat angles C4'-P-C4' energy: -137.684
flat angles P-C4'-P energy: -88.733
tors. eta vs tors. theta energy: -191.043
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: 9, replica: 4
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -2051.484963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.484963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.269198 (E_RNA)
where:
Base-Base interactions energy: -1425.020
where: short stacking energy: -583.426
Base-Backbone interact. energy: -3.027
local terms energy: -633.222562
where:
bonds (distance) C4'-P energy: -121.888
bonds (distance) P-C4' energy: -118.568
flat angles C4'-P-C4' energy: -117.861
flat angles P-C4'-P energy: -101.934
tors. eta vs tors. theta energy: -172.972
Dist. restrs. and SS energy: 9.784 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -1924.197857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.197857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.953977 (E_RNA)
where:
Base-Base interactions energy: -1364.630
where: short stacking energy: -586.945
Base-Backbone interact. energy: -2.480
local terms energy: -586.843873
where:
bonds (distance) C4'-P energy: -97.683
bonds (distance) P-C4' energy: -93.039
flat angles C4'-P-C4' energy: -150.369
flat angles P-C4'-P energy: -73.905
tors. eta vs tors. theta energy: -171.848
Dist. restrs. and SS energy: 29.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -2814.978598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.978598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.139405 (E_RNA)
where:
Base-Base interactions energy: -2008.045
where: short stacking energy: -798.008
Base-Backbone interact. energy: -2.356
local terms energy: -807.738433
where:
bonds (distance) C4'-P energy: -152.961
bonds (distance) P-C4' energy: -138.912
flat angles C4'-P-C4' energy: -168.342
flat angles P-C4'-P energy: -105.445
tors. eta vs tors. theta energy: -242.078
Dist. restrs. and SS energy: 3.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -2737.926453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.926453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2741.321147 (E_RNA)
where:
Base-Base interactions energy: -1917.190
where: short stacking energy: -829.074
Base-Backbone interact. energy: -1.790
local terms energy: -822.340938
where:
bonds (distance) C4'-P energy: -134.864
bonds (distance) P-C4' energy: -148.256
flat angles C4'-P-C4' energy: -166.372
flat angles P-C4'-P energy: -114.157
tors. eta vs tors. theta energy: -258.692
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: 3, replica: 8
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -2628.633649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.633649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.206165 (E_RNA)
where:
Base-Base interactions energy: -1839.329
where: short stacking energy: -788.219
Base-Backbone interact. energy: -0.350
local terms energy: -792.526935
where:
bonds (distance) C4'-P energy: -141.269
bonds (distance) P-C4' energy: -156.988
flat angles C4'-P-C4' energy: -160.328
flat angles P-C4'-P energy: -97.626
tors. eta vs tors. theta energy: -236.317
Dist. restrs. and SS energy: 3.573 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -2524.896215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.896215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.893795 (E_RNA)
where:
Base-Base interactions energy: -1751.421
where: short stacking energy: -747.347
Base-Backbone interact. energy: 1.887
local terms energy: -783.359907
where:
bonds (distance) C4'-P energy: -130.158
bonds (distance) P-C4' energy: -143.128
flat angles C4'-P-C4' energy: -166.498
flat angles P-C4'-P energy: -116.030
tors. eta vs tors. theta energy: -227.545
Dist. restrs. and SS energy: 7.998 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -2435.089705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.089705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.399621 (E_RNA)
where:
Base-Base interactions energy: -1714.184
where: short stacking energy: -731.338
Base-Backbone interact. energy: -1.032
local terms energy: -724.183613
where:
bonds (distance) C4'-P energy: -119.596
bonds (distance) P-C4' energy: -122.584
flat angles C4'-P-C4' energy: -159.850
flat angles P-C4'-P energy: -111.633
tors. eta vs tors. theta energy: -210.522
Dist. restrs. and SS energy: 4.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -2344.430430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.430430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.796137 (E_RNA)
where:
Base-Base interactions energy: -1634.461
where: short stacking energy: -662.873
Base-Backbone interact. energy: 4.660
local terms energy: -727.994929
where:
bonds (distance) C4'-P energy: -126.432
bonds (distance) P-C4' energy: -133.740
flat angles C4'-P-C4' energy: -157.469
flat angles P-C4'-P energy: -113.515
tors. eta vs tors. theta energy: -196.838
Dist. restrs. and SS energy: 13.366 (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: 6
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -2298.233573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.233573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.847251 (E_RNA)
where:
Base-Base interactions energy: -1626.246
where: short stacking energy: -647.507
Base-Backbone interact. energy: -2.043
local terms energy: -679.558168
where:
bonds (distance) C4'-P energy: -115.218
bonds (distance) P-C4' energy: -128.970
flat angles C4'-P-C4' energy: -136.916
flat angles P-C4'-P energy: -94.606
tors. eta vs tors. theta energy: -203.848
Dist. restrs. and SS energy: 9.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -2254.231329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.231329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.383821 (E_RNA)
where:
Base-Base interactions energy: -1610.621
where: short stacking energy: -651.287
Base-Backbone interact. energy: 0.449
local terms energy: -652.211714
where:
bonds (distance) C4'-P energy: -112.909
bonds (distance) P-C4' energy: -114.725
flat angles C4'-P-C4' energy: -151.462
flat angles P-C4'-P energy: -87.168
tors. eta vs tors. theta energy: -185.948
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: 9, replica: 4
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -2008.108883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.108883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.214989 (E_RNA)
where:
Base-Base interactions energy: -1432.273
where: short stacking energy: -585.443
Base-Backbone interact. energy: -3.766
local terms energy: -588.176686
where:
bonds (distance) C4'-P energy: -100.134
bonds (distance) P-C4' energy: -100.068
flat angles C4'-P-C4' energy: -134.325
flat angles P-C4'-P energy: -88.274
tors. eta vs tors. theta energy: -165.376
Dist. restrs. and SS energy: 16.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -1988.654536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.654536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.909944 (E_RNA)
where:
Base-Base interactions energy: -1389.586
where: short stacking energy: -590.551
Base-Backbone interact. energy: 0.652
local terms energy: -623.975200
where:
bonds (distance) C4'-P energy: -110.168
bonds (distance) P-C4' energy: -131.336
flat angles C4'-P-C4' energy: -131.939
flat angles P-C4'-P energy: -74.713
tors. eta vs tors. theta energy: -175.819
Dist. restrs. and SS energy: 24.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -2813.732038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.732038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2816.601932 (E_RNA)
where:
Base-Base interactions energy: -2001.259
where: short stacking energy: -805.957
Base-Backbone interact. energy: -1.482
local terms energy: -813.860885
where:
bonds (distance) C4'-P energy: -149.320
bonds (distance) P-C4' energy: -137.417
flat angles C4'-P-C4' energy: -167.316
flat angles P-C4'-P energy: -116.088
tors. eta vs tors. theta energy: -243.719
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: 322
Temperature: 0.950000
Total energy: -2743.505531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2743.505531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.172550 (E_RNA)
where:
Base-Base interactions energy: -1925.666
where: short stacking energy: -795.898
Base-Backbone interact. energy: -3.252
local terms energy: -819.255070
where:
bonds (distance) C4'-P energy: -126.615
bonds (distance) P-C4' energy: -156.111
flat angles C4'-P-C4' energy: -170.718
flat angles P-C4'-P energy: -115.783
tors. eta vs tors. theta energy: -250.028
Dist. restrs. and SS energy: 4.667 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -2649.081551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.081551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.274401 (E_RNA)
where:
Base-Base interactions energy: -1826.059
where: short stacking energy: -786.801
Base-Backbone interact. energy: -3.562
local terms energy: -823.653354
where:
bonds (distance) C4'-P energy: -156.594
bonds (distance) P-C4' energy: -136.401
flat angles C4'-P-C4' energy: -160.027
flat angles P-C4'-P energy: -119.252
tors. eta vs tors. theta energy: -251.379
Dist. restrs. and SS energy: 4.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -2495.208388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.208388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.386839 (E_RNA)
where:
Base-Base interactions energy: -1758.499
where: short stacking energy: -754.921
Base-Backbone interact. energy: -4.148
local terms energy: -737.740326
where:
bonds (distance) C4'-P energy: -117.730
bonds (distance) P-C4' energy: -135.096
flat angles C4'-P-C4' energy: -156.820
flat angles P-C4'-P energy: -95.239
tors. eta vs tors. theta energy: -232.855
Dist. restrs. and SS energy: 5.178 (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: 322
Temperature: 1.100000
Total energy: -2468.820783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.820783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.278147 (E_RNA)
where:
Base-Base interactions energy: -1745.012
where: short stacking energy: -731.035
Base-Backbone interact. energy: -2.487
local terms energy: -728.778877
where:
bonds (distance) C4'-P energy: -130.000
bonds (distance) P-C4' energy: -114.273
flat angles C4'-P-C4' energy: -160.742
flat angles P-C4'-P energy: -112.470
tors. eta vs tors. theta energy: -211.294
Dist. restrs. and SS energy: 7.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -2348.042307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.042307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.007830 (E_RNA)
where:
Base-Base interactions energy: -1684.617
where: short stacking energy: -706.362
Base-Backbone interact. energy: -3.236
local terms energy: -667.154022
where:
bonds (distance) C4'-P energy: -104.284
bonds (distance) P-C4' energy: -121.676
flat angles C4'-P-C4' energy: -149.947
flat angles P-C4'-P energy: -86.912
tors. eta vs tors. theta energy: -204.335
Dist. restrs. and SS energy: 6.966 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -2297.256410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.256410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.782933 (E_RNA)
where:
Base-Base interactions energy: -1634.152
where: short stacking energy: -672.650
Base-Backbone interact. energy: 0.949
local terms energy: -672.580308
where:
bonds (distance) C4'-P energy: -113.665
bonds (distance) P-C4' energy: -113.987
flat angles C4'-P-C4' energy: -146.548
flat angles P-C4'-P energy: -98.827
tors. eta vs tors. theta energy: -199.553
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: 8, replica: 1
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -2251.744457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.744457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.760268 (E_RNA)
where:
Base-Base interactions energy: -1572.414
where: short stacking energy: -650.318
Base-Backbone interact. energy: -1.958
local terms energy: -686.387670
where:
bonds (distance) C4'-P energy: -124.864
bonds (distance) P-C4' energy: -122.449
flat angles C4'-P-C4' energy: -145.383
flat angles P-C4'-P energy: -87.771
tors. eta vs tors. theta energy: -205.920
Dist. restrs. and SS energy: 9.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -1993.882698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.882698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.290259 (E_RNA)
where:
Base-Base interactions energy: -1401.794
where: short stacking energy: -573.462
Base-Backbone interact. energy: -3.020
local terms energy: -600.476318
where:
bonds (distance) C4'-P energy: -100.571
bonds (distance) P-C4' energy: -131.496
flat angles C4'-P-C4' energy: -137.073
flat angles P-C4'-P energy: -75.069
tors. eta vs tors. theta energy: -156.267
Dist. restrs. and SS energy: 11.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -1916.379721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.379721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.008294 (E_RNA)
where:
Base-Base interactions energy: -1358.612
where: short stacking energy: -539.338
Base-Backbone interact. energy: 0.694
local terms energy: -587.090450
where:
bonds (distance) C4'-P energy: -124.691
bonds (distance) P-C4' energy: -103.127
flat angles C4'-P-C4' energy: -127.666
flat angles P-C4'-P energy: -78.091
tors. eta vs tors. theta energy: -153.516
Dist. restrs. and SS energy: 28.629 (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: 3
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -2802.641103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.641103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.083042 (E_RNA)
where:
Base-Base interactions energy: -1987.164
where: short stacking energy: -819.856
Base-Backbone interact. energy: 0.214
local terms energy: -818.133211
where:
bonds (distance) C4'-P energy: -157.032
bonds (distance) P-C4' energy: -129.615
flat angles C4'-P-C4' energy: -170.572
flat angles P-C4'-P energy: -117.625
tors. eta vs tors. theta energy: -243.288
Dist. restrs. and SS energy: 2.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -2743.257470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2743.257470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.142622 (E_RNA)
where:
Base-Base interactions energy: -1911.973
where: short stacking energy: -835.029
Base-Backbone interact. energy: -0.753
local terms energy: -834.416856
where:
bonds (distance) C4'-P energy: -144.005
bonds (distance) P-C4' energy: -159.858
flat angles C4'-P-C4' energy: -172.716
flat angles P-C4'-P energy: -105.241
tors. eta vs tors. theta energy: -252.597
Dist. restrs. and SS energy: 3.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -2625.094658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.094658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.228786 (E_RNA)
where:
Base-Base interactions energy: -1846.258
where: short stacking energy: -777.841
Base-Backbone interact. energy: -2.638
local terms energy: -780.333287
where:
bonds (distance) C4'-P energy: -126.864
bonds (distance) P-C4' energy: -130.493
flat angles C4'-P-C4' energy: -164.210
flat angles P-C4'-P energy: -120.371
tors. eta vs tors. theta energy: -238.395
Dist. restrs. and SS energy: 4.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -2489.169341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.169341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.499446 (E_RNA)
where:
Base-Base interactions energy: -1759.011
where: short stacking energy: -755.952
Base-Backbone interact. energy: -3.398
local terms energy: -733.090715
where:
bonds (distance) C4'-P energy: -123.254
bonds (distance) P-C4' energy: -126.437
flat angles C4'-P-C4' energy: -152.259
flat angles P-C4'-P energy: -113.122
tors. eta vs tors. theta energy: -218.018
Dist. restrs. and SS energy: 6.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -2467.131779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.131779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.646783 (E_RNA)
where:
Base-Base interactions energy: -1728.195
where: short stacking energy: -733.862
Base-Backbone interact. energy: -1.777
local terms energy: -743.674682
where:
bonds (distance) C4'-P energy: -131.782
bonds (distance) P-C4' energy: -137.168
flat angles C4'-P-C4' energy: -156.550
flat angles P-C4'-P energy: -92.262
tors. eta vs tors. theta energy: -225.912
Dist. restrs. and SS energy: 6.515 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -2345.221691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.221691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.094233 (E_RNA)
where:
Base-Base interactions energy: -1646.381
where: short stacking energy: -693.394
Base-Backbone interact. energy: 0.153
local terms energy: -706.866376
where:
bonds (distance) C4'-P energy: -121.425
bonds (distance) P-C4' energy: -142.377
flat angles C4'-P-C4' energy: -150.158
flat angles P-C4'-P energy: -89.349
tors. eta vs tors. theta energy: -203.557
Dist. restrs. and SS energy: 7.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -2306.447486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.447486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.885080 (E_RNA)
where:
Base-Base interactions energy: -1621.597
where: short stacking energy: -674.659
Base-Backbone interact. energy: -0.100
local terms energy: -692.187424
where:
bonds (distance) C4'-P energy: -126.695
bonds (distance) P-C4' energy: -117.979
flat angles C4'-P-C4' energy: -145.170
flat angles P-C4'-P energy: -100.992
tors. eta vs tors. theta energy: -201.351
Dist. restrs. and SS energy: 7.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -2235.787315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.787315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.260292 (E_RNA)
where:
Base-Base interactions energy: -1585.292
where: short stacking energy: -661.702
Base-Backbone interact. energy: -3.248
local terms energy: -657.720906
where:
bonds (distance) C4'-P energy: -107.067
bonds (distance) P-C4' energy: -132.885
flat angles C4'-P-C4' energy: -140.031
flat angles P-C4'-P energy: -89.648
tors. eta vs tors. theta energy: -188.091
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: 9, replica: 4
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -2028.468087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.468087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.381689 (E_RNA)
where:
Base-Base interactions energy: -1426.206
where: short stacking energy: -578.714
Base-Backbone interact. energy: -0.378
local terms energy: -614.797997
where:
bonds (distance) C4'-P energy: -113.099
bonds (distance) P-C4' energy: -104.234
flat angles C4'-P-C4' energy: -149.005
flat angles P-C4'-P energy: -78.098
tors. eta vs tors. theta energy: -170.361
Dist. restrs. and SS energy: 12.914 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -1916.772294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.772294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.964721 (E_RNA)
where:
Base-Base interactions energy: -1355.224
where: short stacking energy: -565.332
Base-Backbone interact. energy: 7.559
local terms energy: -596.299610
where:
bonds (distance) C4'-P energy: -122.118
bonds (distance) P-C4' energy: -105.125
flat angles C4'-P-C4' energy: -128.405
flat angles P-C4'-P energy: -82.516
tors. eta vs tors. theta energy: -158.135
Dist. restrs. and SS energy: 27.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -2817.501318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.501318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.233743 (E_RNA)
where:
Base-Base interactions energy: -2001.810
where: short stacking energy: -830.870
Base-Backbone interact. energy: -2.645
local terms energy: -816.778825
where:
bonds (distance) C4'-P energy: -149.058
bonds (distance) P-C4' energy: -143.285
flat angles C4'-P-C4' energy: -158.120
flat angles P-C4'-P energy: -121.457
tors. eta vs tors. theta energy: -244.859
Dist. restrs. and SS energy: 3.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -2762.120683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.120683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2764.074910 (E_RNA)
where:
Base-Base interactions energy: -1921.366
where: short stacking energy: -809.850
Base-Backbone interact. energy: -4.049
local terms energy: -838.659994
where:
bonds (distance) C4'-P energy: -143.035
bonds (distance) P-C4' energy: -146.767
flat angles C4'-P-C4' energy: -170.485
flat angles P-C4'-P energy: -118.652
tors. eta vs tors. theta energy: -259.721
Dist. restrs. and SS energy: 1.954 (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: 324
Temperature: 1.000000
Total energy: -2599.106836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.106836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.508623 (E_RNA)
where:
Base-Base interactions energy: -1822.053
where: short stacking energy: -789.357
Base-Backbone interact. energy: -1.038
local terms energy: -780.417535
where:
bonds (distance) C4'-P energy: -141.518
bonds (distance) P-C4' energy: -127.232
flat angles C4'-P-C4' energy: -161.389
flat angles P-C4'-P energy: -104.296
tors. eta vs tors. theta energy: -245.983
Dist. restrs. and SS energy: 4.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -2476.272946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.272946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.501095 (E_RNA)
where:
Base-Base interactions energy: -1741.669
where: short stacking energy: -728.209
Base-Backbone interact. energy: -2.105
local terms energy: -737.726875
where:
bonds (distance) C4'-P energy: -118.651
bonds (distance) P-C4' energy: -130.526
flat angles C4'-P-C4' energy: -155.808
flat angles P-C4'-P energy: -107.225
tors. eta vs tors. theta energy: -225.517
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: 5, replica: 2
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -2450.315819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.315819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.172999 (E_RNA)
where:
Base-Base interactions energy: -1740.335
where: short stacking energy: -748.989
Base-Backbone interact. energy: -3.526
local terms energy: -714.312898
where:
bonds (distance) C4'-P energy: -98.083
bonds (distance) P-C4' energy: -127.661
flat angles C4'-P-C4' energy: -153.083
flat angles P-C4'-P energy: -117.474
tors. eta vs tors. theta energy: -218.013
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: 6, replica: 6
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -2332.903350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.903350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.354763 (E_RNA)
where:
Base-Base interactions energy: -1671.340
where: short stacking energy: -703.186
Base-Backbone interact. energy: 4.680
local terms energy: -673.695074
where:
bonds (distance) C4'-P energy: -99.032
bonds (distance) P-C4' energy: -127.281
flat angles C4'-P-C4' energy: -144.789
flat angles P-C4'-P energy: -96.906
tors. eta vs tors. theta energy: -205.687
Dist. restrs. and SS energy: 7.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -2293.187025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.187025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.252940 (E_RNA)
where:
Base-Base interactions energy: -1610.129
where: short stacking energy: -675.458
Base-Backbone interact. energy: -0.798
local terms energy: -693.326437
where:
bonds (distance) C4'-P energy: -121.352
bonds (distance) P-C4' energy: -137.560
flat angles C4'-P-C4' energy: -141.024
flat angles P-C4'-P energy: -91.675
tors. eta vs tors. theta energy: -201.715
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: 8, replica: 9
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -2247.080779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.080779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.826064 (E_RNA)
where:
Base-Base interactions energy: -1594.553
where: short stacking energy: -660.635
Base-Backbone interact. energy: 2.993
local terms energy: -666.265919
where:
bonds (distance) C4'-P energy: -113.532
bonds (distance) P-C4' energy: -112.434
flat angles C4'-P-C4' energy: -142.580
flat angles P-C4'-P energy: -101.777
tors. eta vs tors. theta energy: -195.944
Dist. restrs. and SS energy: 10.745 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -2046.111893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.111893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.350439 (E_RNA)
where:
Base-Base interactions energy: -1444.960
where: short stacking energy: -580.520
Base-Backbone interact. energy: -1.560
local terms energy: -609.830220
where:
bonds (distance) C4'-P energy: -122.975
bonds (distance) P-C4' energy: -118.584
flat angles C4'-P-C4' energy: -131.671
flat angles P-C4'-P energy: -83.249
tors. eta vs tors. theta energy: -153.351
Dist. restrs. and SS energy: 10.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -1932.247212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.247212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.346700 (E_RNA)
where:
Base-Base interactions energy: -1353.831
where: short stacking energy: -579.318
Base-Backbone interact. energy: 2.770
local terms energy: -619.285722
where:
bonds (distance) C4'-P energy: -129.023
bonds (distance) P-C4' energy: -115.983
flat angles C4'-P-C4' energy: -126.716
flat angles P-C4'-P energy: -81.918
tors. eta vs tors. theta energy: -165.646
Dist. restrs. and SS energy: 38.099 (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: 3
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -2820.001978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.001978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2822.300474 (E_RNA)
where:
Base-Base interactions energy: -1985.183
where: short stacking energy: -840.291
Base-Backbone interact. energy: -5.050
local terms energy: -832.067669
where:
bonds (distance) C4'-P energy: -140.944
bonds (distance) P-C4' energy: -140.811
flat angles C4'-P-C4' energy: -182.283
flat angles P-C4'-P energy: -122.335
tors. eta vs tors. theta energy: -245.695
Dist. restrs. and SS energy: 2.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -2737.132152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.132152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.243018 (E_RNA)
where:
Base-Base interactions energy: -1933.293
where: short stacking energy: -840.128
Base-Backbone interact. energy: -1.751
local terms energy: -805.199446
where:
bonds (distance) C4'-P energy: -113.295
bonds (distance) P-C4' energy: -144.041
flat angles C4'-P-C4' energy: -174.938
flat angles P-C4'-P energy: -117.689
tors. eta vs tors. theta energy: -255.237
Dist. restrs. and SS energy: 3.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -2651.388455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.388455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.648520 (E_RNA)
where:
Base-Base interactions energy: -1859.734
where: short stacking energy: -792.045
Base-Backbone interact. energy: 0.852
local terms energy: -796.766637
where:
bonds (distance) C4'-P energy: -131.615
bonds (distance) P-C4' energy: -141.661
flat angles C4'-P-C4' energy: -174.951
flat angles P-C4'-P energy: -116.495
tors. eta vs tors. theta energy: -232.045
Dist. restrs. and SS energy: 4.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -2542.926073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.926073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.303690 (E_RNA)
where:
Base-Base interactions energy: -1773.342
where: short stacking energy: -770.886
Base-Backbone interact. energy: 2.082
local terms energy: -777.042826
where:
bonds (distance) C4'-P energy: -134.532
bonds (distance) P-C4' energy: -137.308
flat angles C4'-P-C4' energy: -168.922
flat angles P-C4'-P energy: -110.193
tors. eta vs tors. theta energy: -226.088
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: 5, replica: 5
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -2448.773771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.773771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.848585 (E_RNA)
where:
Base-Base interactions energy: -1706.638
where: short stacking energy: -719.826
Base-Backbone interact. energy: -2.916
local terms energy: -742.294562
where:
bonds (distance) C4'-P energy: -123.371
bonds (distance) P-C4' energy: -146.252
flat angles C4'-P-C4' energy: -168.430
flat angles P-C4'-P energy: -92.687
tors. eta vs tors. theta energy: -211.555
Dist. restrs. and SS energy: 3.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -2348.787303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.787303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.473779 (E_RNA)
where:
Base-Base interactions energy: -1662.224
where: short stacking energy: -699.428
Base-Backbone interact. energy: -0.567
local terms energy: -693.682565
where:
bonds (distance) C4'-P energy: -125.829
bonds (distance) P-C4' energy: -131.218
flat angles C4'-P-C4' energy: -160.023
flat angles P-C4'-P energy: -80.770
tors. eta vs tors. theta energy: -195.843
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: 1
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -2326.347043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.347043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.720972 (E_RNA)
where:
Base-Base interactions energy: -1635.401
where: short stacking energy: -682.984
Base-Backbone interact. energy: -0.697
local terms energy: -699.622886
where:
bonds (distance) C4'-P energy: -124.888
bonds (distance) P-C4' energy: -124.749
flat angles C4'-P-C4' energy: -141.953
flat angles P-C4'-P energy: -99.945
tors. eta vs tors. theta energy: -208.087
Dist. restrs. and SS energy: 9.374 (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: 325
Temperature: 1.250000
Total energy: -2243.961661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.961661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.901918 (E_RNA)
where:
Base-Base interactions energy: -1598.571
where: short stacking energy: -669.140
Base-Backbone interact. energy: 1.598
local terms energy: -653.929691
where:
bonds (distance) C4'-P energy: -114.002
bonds (distance) P-C4' energy: -104.226
flat angles C4'-P-C4' energy: -133.961
flat angles P-C4'-P energy: -98.701
tors. eta vs tors. theta energy: -203.039
Dist. restrs. and SS energy: 6.940 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -2047.543359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.543359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.122172 (E_RNA)
where:
Base-Base interactions energy: -1422.255
where: short stacking energy: -573.764
Base-Backbone interact. energy: -4.163
local terms energy: -632.704048
where:
bonds (distance) C4'-P energy: -119.642
bonds (distance) P-C4' energy: -115.765
flat angles C4'-P-C4' energy: -142.244
flat angles P-C4'-P energy: -79.193
tors. eta vs tors. theta energy: -175.861
Dist. restrs. and SS energy: 11.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -1957.261710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.261710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.177640 (E_RNA)
where:
Base-Base interactions energy: -1392.940
where: short stacking energy: -585.786
Base-Backbone interact. energy: -3.767
local terms energy: -591.471153
where:
bonds (distance) C4'-P energy: -115.305
bonds (distance) P-C4' energy: -111.836
flat angles C4'-P-C4' energy: -141.384
flat angles P-C4'-P energy: -62.025
tors. eta vs tors. theta energy: -160.921
Dist. restrs. and SS energy: 30.916 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -2821.480478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.480478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.249452 (E_RNA)
where:
Base-Base interactions energy: -1983.093
where: short stacking energy: -830.063
Base-Backbone interact. energy: -3.810
local terms energy: -837.346071
where:
bonds (distance) C4'-P energy: -161.194
bonds (distance) P-C4' energy: -138.717
flat angles C4'-P-C4' energy: -160.404
flat angles P-C4'-P energy: -117.535
tors. eta vs tors. theta energy: -259.497
Dist. restrs. and SS energy: 2.769 (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: 10
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -2702.313816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.313816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.936621 (E_RNA)
where:
Base-Base interactions energy: -1876.353
where: short stacking energy: -812.908
Base-Backbone interact. energy: -2.801
local terms energy: -828.782403
where:
bonds (distance) C4'-P energy: -134.394
bonds (distance) P-C4' energy: -160.194
flat angles C4'-P-C4' energy: -175.915
flat angles P-C4'-P energy: -118.339
tors. eta vs tors. theta energy: -239.940
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: 3, replica: 8
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -2637.699773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.699773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.657743 (E_RNA)
where:
Base-Base interactions energy: -1843.012
where: short stacking energy: -796.788
Base-Backbone interact. energy: -2.179
local terms energy: -796.466396
where:
bonds (distance) C4'-P energy: -145.476
bonds (distance) P-C4' energy: -132.951
flat angles C4'-P-C4' energy: -163.256
flat angles P-C4'-P energy: -118.586
tors. eta vs tors. theta energy: -236.197
Dist. restrs. and SS energy: 3.958 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -2523.709661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.709661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.375984 (E_RNA)
where:
Base-Base interactions energy: -1760.621
where: short stacking energy: -746.664
Base-Backbone interact. energy: 1.135
local terms energy: -769.889848
where:
bonds (distance) C4'-P energy: -124.310
bonds (distance) P-C4' energy: -135.730
flat angles C4'-P-C4' energy: -164.650
flat angles P-C4'-P energy: -116.059
tors. eta vs tors. theta energy: -229.139
Dist. restrs. and SS energy: 5.666 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -2440.984078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.984078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.319599 (E_RNA)
where:
Base-Base interactions energy: -1716.451
where: short stacking energy: -728.504
Base-Backbone interact. energy: -3.666
local terms energy: -727.203135
where:
bonds (distance) C4'-P energy: -138.031
bonds (distance) P-C4' energy: -132.864
flat angles C4'-P-C4' energy: -138.037
flat angles P-C4'-P energy: -109.284
tors. eta vs tors. theta energy: -208.988
Dist. restrs. and SS energy: 6.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -2368.592576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.592576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.483807 (E_RNA)
where:
Base-Base interactions energy: -1677.095
where: short stacking energy: -705.513
Base-Backbone interact. energy: 1.750
local terms energy: -700.139098
where:
bonds (distance) C4'-P energy: -134.603
bonds (distance) P-C4' energy: -136.381
flat angles C4'-P-C4' energy: -142.795
flat angles P-C4'-P energy: -82.676
tors. eta vs tors. theta energy: -203.684
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: 7, replica: 1
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -2318.233429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.233429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.017189 (E_RNA)
where:
Base-Base interactions energy: -1656.398
where: short stacking energy: -723.980
Base-Backbone interact. energy: 0.568
local terms energy: -671.186954
where:
bonds (distance) C4'-P energy: -110.816
bonds (distance) P-C4' energy: -114.506
flat angles C4'-P-C4' energy: -140.658
flat angles P-C4'-P energy: -100.269
tors. eta vs tors. theta energy: -204.937
Dist. restrs. and SS energy: 8.784 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -2203.934367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.934367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.964303 (E_RNA)
where:
Base-Base interactions energy: -1552.912
where: short stacking energy: -667.658
Base-Backbone interact. energy: 3.276
local terms energy: -664.327642
where:
bonds (distance) C4'-P energy: -118.949
bonds (distance) P-C4' energy: -116.350
flat angles C4'-P-C4' energy: -153.732
flat angles P-C4'-P energy: -81.188
tors. eta vs tors. theta energy: -194.110
Dist. restrs. and SS energy: 10.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -2062.446505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.446505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.321968 (E_RNA)
where:
Base-Base interactions energy: -1492.896
where: short stacking energy: -610.176
Base-Backbone interact. energy: 3.347
local terms energy: -585.773911
where:
bonds (distance) C4'-P energy: -116.178
bonds (distance) P-C4' energy: -105.601
flat angles C4'-P-C4' energy: -118.274
flat angles P-C4'-P energy: -74.546
tors. eta vs tors. theta energy: -171.174
Dist. restrs. and SS energy: 12.875 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -1932.319133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.319133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.838621 (E_RNA)
where:
Base-Base interactions energy: -1363.940
where: short stacking energy: -547.603
Base-Backbone interact. energy: -0.305
local terms energy: -596.593435
where:
bonds (distance) C4'-P energy: -122.104
bonds (distance) P-C4' energy: -121.141
flat angles C4'-P-C4' energy: -126.244
flat angles P-C4'-P energy: -67.949
tors. eta vs tors. theta energy: -159.155
Dist. restrs. and SS energy: 28.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -2799.226966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.226966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.471718 (E_RNA)
where:
Base-Base interactions energy: -1933.965
where: short stacking energy: -819.751
Base-Backbone interact. energy: -0.456
local terms energy: -868.050491
where:
bonds (distance) C4'-P energy: -158.641
bonds (distance) P-C4' energy: -154.574
flat angles C4'-P-C4' energy: -177.835
flat angles P-C4'-P energy: -124.228
tors. eta vs tors. theta energy: -252.773
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: 2, replica: 10
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -2700.284150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.284150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.599210 (E_RNA)
where:
Base-Base interactions energy: -1878.765
where: short stacking energy: -799.862
Base-Backbone interact. energy: -1.641
local terms energy: -823.192380
where:
bonds (distance) C4'-P energy: -149.477
bonds (distance) P-C4' energy: -148.048
flat angles C4'-P-C4' energy: -166.966
flat angles P-C4'-P energy: -109.666
tors. eta vs tors. theta energy: -249.036
Dist. restrs. and SS energy: 3.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -2640.782936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.782936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.238633 (E_RNA)
where:
Base-Base interactions energy: -1828.642
where: short stacking energy: -771.287
Base-Backbone interact. energy: 2.697
local terms energy: -817.293425
where:
bonds (distance) C4'-P energy: -154.383
bonds (distance) P-C4' energy: -143.181
flat angles C4'-P-C4' energy: -162.750
flat angles P-C4'-P energy: -117.201
tors. eta vs tors. theta energy: -239.780
Dist. restrs. and SS energy: 2.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -2533.517455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.517455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.981290 (E_RNA)
where:
Base-Base interactions energy: -1786.468
where: short stacking energy: -750.213
Base-Backbone interact. energy: 2.754
local terms energy: -755.266830
where:
bonds (distance) C4'-P energy: -125.021
bonds (distance) P-C4' energy: -133.493
flat angles C4'-P-C4' energy: -164.987
flat angles P-C4'-P energy: -105.331
tors. eta vs tors. theta energy: -226.436
Dist. restrs. and SS energy: 5.464 (S_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: 327
Temperature: 1.100000
Total energy: -2430.760295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.760295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.464171 (E_RNA)
where:
Base-Base interactions energy: -1692.861
where: short stacking energy: -704.422
Base-Backbone interact. energy: -5.691
local terms energy: -739.912645
where:
bonds (distance) C4'-P energy: -137.969
bonds (distance) P-C4' energy: -138.848
flat angles C4'-P-C4' energy: -151.539
flat angles P-C4'-P energy: -101.546
tors. eta vs tors. theta energy: -210.011
Dist. restrs. and SS energy: 7.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -2410.106948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.106948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.724161 (E_RNA)
where:
Base-Base interactions energy: -1700.255
where: short stacking energy: -693.217
Base-Backbone interact. energy: -2.778
local terms energy: -714.691494
where:
bonds (distance) C4'-P energy: -119.772
bonds (distance) P-C4' energy: -127.701
flat angles C4'-P-C4' energy: -153.283
flat angles P-C4'-P energy: -94.356
tors. eta vs tors. theta energy: -219.579
Dist. restrs. and SS energy: 7.617 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -2334.596682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.596682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.156919 (E_RNA)
where:
Base-Base interactions energy: -1647.595
where: short stacking energy: -686.426
Base-Backbone interact. energy: -2.282
local terms energy: -692.280326
where:
bonds (distance) C4'-P energy: -104.317
bonds (distance) P-C4' energy: -131.790
flat angles C4'-P-C4' energy: -151.714
flat angles P-C4'-P energy: -104.390
tors. eta vs tors. theta energy: -200.069
Dist. restrs. and SS energy: 7.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -2231.756150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.756150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.491182 (E_RNA)
where:
Base-Base interactions energy: -1600.279
where: short stacking energy: -681.995
Base-Backbone interact. energy: -1.477
local terms energy: -639.735243
where:
bonds (distance) C4'-P energy: -109.257
bonds (distance) P-C4' energy: -112.049
flat angles C4'-P-C4' energy: -141.086
flat angles P-C4'-P energy: -79.978
tors. eta vs tors. theta energy: -197.365
Dist. restrs. and SS energy: 9.735 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -2017.118974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.118974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.120890 (E_RNA)
where:
Base-Base interactions energy: -1424.571
where: short stacking energy: -582.777
Base-Backbone interact. energy: -1.625
local terms energy: -600.924935
where:
bonds (distance) C4'-P energy: -128.974
bonds (distance) P-C4' energy: -108.295
flat angles C4'-P-C4' energy: -125.241
flat angles P-C4'-P energy: -85.735
tors. eta vs tors. theta energy: -152.679
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: 10, replica: 7
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -1908.287948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.287948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.632511 (E_RNA)
where:
Base-Base interactions energy: -1360.395
where: short stacking energy: -556.600
Base-Backbone interact. energy: 5.338
local terms energy: -572.574817
where:
bonds (distance) C4'-P energy: -102.420
bonds (distance) P-C4' energy: -115.455
flat angles C4'-P-C4' energy: -136.391
flat angles P-C4'-P energy: -64.519
tors. eta vs tors. theta energy: -153.790
Dist. restrs. and SS energy: 19.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -2810.414002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.414002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.666644 (E_RNA)
where:
Base-Base interactions energy: -1985.768
where: short stacking energy: -817.032
Base-Backbone interact. energy: -5.102
local terms energy: -823.796812
where:
bonds (distance) C4'-P energy: -146.012
bonds (distance) P-C4' energy: -151.198
flat angles C4'-P-C4' energy: -160.586
flat angles P-C4'-P energy: -123.120
tors. eta vs tors. theta energy: -242.881
Dist. restrs. and SS energy: 4.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -2732.015554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.015554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.505247 (E_RNA)
where:
Base-Base interactions energy: -1925.611
where: short stacking energy: -809.575
Base-Backbone interact. energy: -2.644
local terms energy: -806.250027
where:
bonds (distance) C4'-P energy: -130.742
bonds (distance) P-C4' energy: -141.142
flat angles C4'-P-C4' energy: -170.086
flat angles P-C4'-P energy: -111.744
tors. eta vs tors. theta energy: -252.537
Dist. restrs. and SS energy: 2.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -2595.041731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.041731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.283494 (E_RNA)
where:
Base-Base interactions energy: -1796.786
where: short stacking energy: -765.662
Base-Backbone interact. energy: -2.537
local terms energy: -801.960622
where:
bonds (distance) C4'-P energy: -128.386
bonds (distance) P-C4' energy: -149.822
flat angles C4'-P-C4' energy: -173.833
flat angles P-C4'-P energy: -113.677
tors. eta vs tors. theta energy: -236.242
Dist. restrs. and SS energy: 6.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -2530.826552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.826552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.265322 (E_RNA)
where:
Base-Base interactions energy: -1776.597
where: short stacking energy: -740.274
Base-Backbone interact. energy: 1.327
local terms energy: -761.994633
where:
bonds (distance) C4'-P energy: -137.891
bonds (distance) P-C4' energy: -135.123
flat angles C4'-P-C4' energy: -172.203
flat angles P-C4'-P energy: -96.769
tors. eta vs tors. theta energy: -220.009
Dist. restrs. and SS energy: 6.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -2428.008920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.008920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.714435 (E_RNA)
where:
Base-Base interactions energy: -1707.952
where: short stacking energy: -702.728
Base-Backbone interact. energy: -1.988
local terms energy: -722.774009
where:
bonds (distance) C4'-P energy: -120.181
bonds (distance) P-C4' energy: -139.515
flat angles C4'-P-C4' energy: -150.879
flat angles P-C4'-P energy: -92.549
tors. eta vs tors. theta energy: -219.651
Dist. restrs. and SS energy: 4.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -2386.065940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.065940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.985125 (E_RNA)
where:
Base-Base interactions energy: -1670.225
where: short stacking energy: -703.281
Base-Backbone interact. energy: -4.176
local terms energy: -722.583468
where:
bonds (distance) C4'-P energy: -123.697
bonds (distance) P-C4' energy: -130.380
flat angles C4'-P-C4' energy: -161.401
flat angles P-C4'-P energy: -105.648
tors. eta vs tors. theta energy: -201.458
Dist. restrs. and SS energy: 10.919 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -2330.732486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.732486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.543841 (E_RNA)
where:
Base-Base interactions energy: -1657.383
where: short stacking energy: -697.404
Base-Backbone interact. energy: 0.281
local terms energy: -681.441263
where:
bonds (distance) C4'-P energy: -104.549
bonds (distance) P-C4' energy: -121.272
flat angles C4'-P-C4' energy: -148.016
flat angles P-C4'-P energy: -94.502
tors. eta vs tors. theta energy: -213.102
Dist. restrs. and SS energy: 7.811 (S_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: 328
Temperature: 1.250000
Total energy: -2162.275113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.275113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.365226 (E_RNA)
where:
Base-Base interactions energy: -1529.055
where: short stacking energy: -649.799
Base-Backbone interact. energy: -2.090
local terms energy: -638.220442
where:
bonds (distance) C4'-P energy: -107.166
bonds (distance) P-C4' energy: -124.922
flat angles C4'-P-C4' energy: -120.454
flat angles P-C4'-P energy: -101.362
tors. eta vs tors. theta energy: -184.316
Dist. restrs. and SS energy: 7.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -2102.580017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.580017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.658592 (E_RNA)
where:
Base-Base interactions energy: -1483.348
where: short stacking energy: -626.213
Base-Backbone interact. energy: 0.528
local terms energy: -632.838217
where:
bonds (distance) C4'-P energy: -98.253
bonds (distance) P-C4' energy: -123.611
flat angles C4'-P-C4' energy: -144.171
flat angles P-C4'-P energy: -92.344
tors. eta vs tors. theta energy: -174.460
Dist. restrs. and SS energy: 13.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -1950.963222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.963222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.617983 (E_RNA)
where:
Base-Base interactions energy: -1375.572
where: short stacking energy: -569.063
Base-Backbone interact. energy: 3.189
local terms energy: -612.235119
where:
bonds (distance) C4'-P energy: -106.116
bonds (distance) P-C4' energy: -103.431
flat angles C4'-P-C4' energy: -137.091
flat angles P-C4'-P energy: -94.822
tors. eta vs tors. theta energy: -170.775
Dist. restrs. and SS energy: 33.655 (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: 3
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -2797.080620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.080620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.702250 (E_RNA)
where:
Base-Base interactions energy: -1957.241
where: short stacking energy: -803.409
Base-Backbone interact. energy: -1.008
local terms energy: -842.453074
where:
bonds (distance) C4'-P energy: -148.471
bonds (distance) P-C4' energy: -150.019
flat angles C4'-P-C4' energy: -174.055
flat angles P-C4'-P energy: -124.084
tors. eta vs tors. theta energy: -245.824
Dist. restrs. and SS energy: 3.622 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -2695.710481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.710481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.302984 (E_RNA)
where:
Base-Base interactions energy: -1885.107
where: short stacking energy: -799.103
Base-Backbone interact. energy: -0.375
local terms energy: -813.820678
where:
bonds (distance) C4'-P energy: -144.046
bonds (distance) P-C4' energy: -153.432
flat angles C4'-P-C4' energy: -163.518
flat angles P-C4'-P energy: -106.663
tors. eta vs tors. theta energy: -246.161
Dist. restrs. and SS energy: 3.593 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -2583.376207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.376207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.794411 (E_RNA)
where:
Base-Base interactions energy: -1801.229
where: short stacking energy: -761.887
Base-Backbone interact. energy: -2.821
local terms energy: -785.744661
where:
bonds (distance) C4'-P energy: -133.762
bonds (distance) P-C4' energy: -130.868
flat angles C4'-P-C4' energy: -168.752
flat angles P-C4'-P energy: -116.100
tors. eta vs tors. theta energy: -236.262
Dist. restrs. and SS energy: 6.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -2539.852511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.852511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.344423 (E_RNA)
where:
Base-Base interactions energy: -1796.178
where: short stacking energy: -777.975
Base-Backbone interact. energy: -1.365
local terms energy: -749.801695
where:
bonds (distance) C4'-P energy: -116.915
bonds (distance) P-C4' energy: -130.904
flat angles C4'-P-C4' energy: -165.025
flat angles P-C4'-P energy: -105.436
tors. eta vs tors. theta energy: -231.521
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: 5, replica: 5
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -2446.785281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.785281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.329911 (E_RNA)
where:
Base-Base interactions energy: -1737.001
where: short stacking energy: -722.939
Base-Backbone interact. energy: -5.050
local terms energy: -710.279186
where:
bonds (distance) C4'-P energy: -128.564
bonds (distance) P-C4' energy: -137.778
flat angles C4'-P-C4' energy: -143.982
flat angles P-C4'-P energy: -94.485
tors. eta vs tors. theta energy: -205.470
Dist. restrs. and SS energy: 5.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -2389.605126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.605126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.374511 (E_RNA)
where:
Base-Base interactions energy: -1690.058
where: short stacking energy: -691.114
Base-Backbone interact. energy: -3.133
local terms energy: -703.183598
where:
bonds (distance) C4'-P energy: -124.243
bonds (distance) P-C4' energy: -123.693
flat angles C4'-P-C4' energy: -158.045
flat angles P-C4'-P energy: -99.031
tors. eta vs tors. theta energy: -198.171
Dist. restrs. and SS energy: 6.769 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -2302.555368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.555368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.487200 (E_RNA)
where:
Base-Base interactions energy: -1611.111
where: short stacking energy: -694.547
Base-Backbone interact. energy: 10.438
local terms energy: -708.813717
where:
bonds (distance) C4'-P energy: -120.144
bonds (distance) P-C4' energy: -131.632
flat angles C4'-P-C4' energy: -141.643
flat angles P-C4'-P energy: -105.993
tors. eta vs tors. theta energy: -209.402
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: 8, replica: 9
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -2232.424981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.424981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.262840 (E_RNA)
where:
Base-Base interactions energy: -1580.121
where: short stacking energy: -674.666
Base-Backbone interact. energy: 0.185
local terms energy: -670.326904
where:
bonds (distance) C4'-P energy: -105.094
bonds (distance) P-C4' energy: -127.747
flat angles C4'-P-C4' energy: -153.360
flat angles P-C4'-P energy: -95.379
tors. eta vs tors. theta energy: -188.747
Dist. restrs. and SS energy: 17.838 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -2061.949099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.949099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.020159 (E_RNA)
where:
Base-Base interactions energy: -1466.336
where: short stacking energy: -627.915
Base-Backbone interact. energy: -1.657
local terms energy: -603.027447
where:
bonds (distance) C4'-P energy: -100.811
bonds (distance) P-C4' energy: -133.256
flat angles C4'-P-C4' energy: -123.337
flat angles P-C4'-P energy: -82.873
tors. eta vs tors. theta energy: -162.751
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: 10, replica: 7
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -1909.267580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.267580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.306683 (E_RNA)
where:
Base-Base interactions energy: -1387.863
where: short stacking energy: -580.153
Base-Backbone interact. energy: 10.910
local terms energy: -556.353543
where:
bonds (distance) C4'-P energy: -101.821
bonds (distance) P-C4' energy: -103.470
flat angles C4'-P-C4' energy: -118.343
flat angles P-C4'-P energy: -74.547
tors. eta vs tors. theta energy: -158.173
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: 1, replica: 3
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -2812.018662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.018662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.268169 (E_RNA)
where:
Base-Base interactions energy: -1968.870
where: short stacking energy: -813.746
Base-Backbone interact. energy: -3.358
local terms energy: -846.040138
where:
bonds (distance) C4'-P energy: -151.297
bonds (distance) P-C4' energy: -157.066
flat angles C4'-P-C4' energy: -171.273
flat angles P-C4'-P energy: -115.390
tors. eta vs tors. theta energy: -251.014
Dist. restrs. and SS energy: 6.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -2730.766906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.766906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.769494 (E_RNA)
where:
Base-Base interactions energy: -1926.936
where: short stacking energy: -822.719
Base-Backbone interact. energy: -1.129
local terms energy: -805.704851
where:
bonds (distance) C4'-P energy: -132.251
bonds (distance) P-C4' energy: -142.788
flat angles C4'-P-C4' energy: -171.342
flat angles P-C4'-P energy: -102.757
tors. eta vs tors. theta energy: -256.567
Dist. restrs. and SS energy: 3.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -2589.835948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.835948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.078257 (E_RNA)
where:
Base-Base interactions energy: -1830.114
where: short stacking energy: -776.022
Base-Backbone interact. energy: 5.125
local terms energy: -769.088741
where:
bonds (distance) C4'-P energy: -125.437
bonds (distance) P-C4' energy: -120.913
flat angles C4'-P-C4' energy: -156.428
flat angles P-C4'-P energy: -127.138
tors. eta vs tors. theta energy: -239.172
Dist. restrs. and SS energy: 4.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -2528.616272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.616272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.883962 (E_RNA)
where:
Base-Base interactions energy: -1769.519
where: short stacking energy: -753.630
Base-Backbone interact. energy: -3.240
local terms energy: -760.124412
where:
bonds (distance) C4'-P energy: -123.950
bonds (distance) P-C4' energy: -146.953
flat angles C4'-P-C4' energy: -160.121
flat angles P-C4'-P energy: -101.585
tors. eta vs tors. theta energy: -227.515
Dist. restrs. and SS energy: 4.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -2460.379908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.379908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.004836 (E_RNA)
where:
Base-Base interactions energy: -1730.717
where: short stacking energy: -746.729
Base-Backbone interact. energy: 1.491
local terms energy: -735.778918
where:
bonds (distance) C4'-P energy: -143.253
bonds (distance) P-C4' energy: -128.306
flat angles C4'-P-C4' energy: -154.340
flat angles P-C4'-P energy: -100.087
tors. eta vs tors. theta energy: -209.793
Dist. restrs. and SS energy: 4.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -2407.171228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.171228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.767620 (E_RNA)
where:
Base-Base interactions energy: -1690.707
where: short stacking energy: -719.302
Base-Backbone interact. energy: -3.723
local terms energy: -719.337474
where:
bonds (distance) C4'-P energy: -125.179
bonds (distance) P-C4' energy: -127.370
flat angles C4'-P-C4' energy: -147.894
flat angles P-C4'-P energy: -101.831
tors. eta vs tors. theta energy: -217.064
Dist. restrs. and SS energy: 6.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -2332.710836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.710836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.178790 (E_RNA)
where:
Base-Base interactions energy: -1631.171
where: short stacking energy: -692.866
Base-Backbone interact. energy: -0.700
local terms energy: -709.307727
where:
bonds (distance) C4'-P energy: -122.405
bonds (distance) P-C4' energy: -126.775
flat angles C4'-P-C4' energy: -149.475
flat angles P-C4'-P energy: -94.511
tors. eta vs tors. theta energy: -216.142
Dist. restrs. and SS energy: 8.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -2197.117866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.117866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.796606 (E_RNA)
where:
Base-Base interactions energy: -1533.501
where: short stacking energy: -646.294
Base-Backbone interact. energy: -3.178
local terms energy: -675.117627
where:
bonds (distance) C4'-P energy: -114.220
bonds (distance) P-C4' energy: -119.439
flat angles C4'-P-C4' energy: -154.575
flat angles P-C4'-P energy: -94.158
tors. eta vs tors. theta energy: -192.725
Dist. restrs. and SS energy: 14.679 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -2050.459820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.459820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.315689 (E_RNA)
where:
Base-Base interactions energy: -1444.561
where: short stacking energy: -606.071
Base-Backbone interact. energy: 0.708
local terms energy: -626.462374
where:
bonds (distance) C4'-P energy: -103.758
bonds (distance) P-C4' energy: -134.952
flat angles C4'-P-C4' energy: -142.224
flat angles P-C4'-P energy: -84.568
tors. eta vs tors. theta energy: -160.961
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: 10, replica: 7
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -1969.515404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.515404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.538723 (E_RNA)
where:
Base-Base interactions energy: -1426.084
where: short stacking energy: -594.998
Base-Backbone interact. energy: 0.582
local terms energy: -571.036525
where:
bonds (distance) C4'-P energy: -111.550
bonds (distance) P-C4' energy: -99.595
flat angles C4'-P-C4' energy: -121.356
flat angles P-C4'-P energy: -62.423
tors. eta vs tors. theta energy: -176.113
Dist. restrs. and SS energy: 27.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -2810.346087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.346087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2815.023393 (E_RNA)
where:
Base-Base interactions energy: -1984.072
where: short stacking energy: -812.713
Base-Backbone interact. energy: -5.510
local terms energy: -825.441537
where:
bonds (distance) C4'-P energy: -137.997
bonds (distance) P-C4' energy: -156.302
flat angles C4'-P-C4' energy: -173.726
flat angles P-C4'-P energy: -115.317
tors. eta vs tors. theta energy: -242.100
Dist. restrs. and SS energy: 4.677 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -2716.487960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.487960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.653366 (E_RNA)
where:
Base-Base interactions energy: -1908.162
where: short stacking energy: -824.649
Base-Backbone interact. energy: -1.478
local terms energy: -810.013861
where:
bonds (distance) C4'-P energy: -144.147
bonds (distance) P-C4' energy: -146.196
flat angles C4'-P-C4' energy: -170.396
flat angles P-C4'-P energy: -101.067
tors. eta vs tors. theta energy: -248.209
Dist. restrs. and SS energy: 3.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -2603.410857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.410857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.120823 (E_RNA)
where:
Base-Base interactions energy: -1812.889
where: short stacking energy: -779.750
Base-Backbone interact. energy: -1.661
local terms energy: -797.571501
where:
bonds (distance) C4'-P energy: -139.327
bonds (distance) P-C4' energy: -143.236
flat angles C4'-P-C4' energy: -164.288
flat angles P-C4'-P energy: -110.607
tors. eta vs tors. theta energy: -240.113
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: 6
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -2501.150795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.150795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.505172 (E_RNA)
where:
Base-Base interactions energy: -1722.810
where: short stacking energy: -732.349
Base-Backbone interact. energy: -0.015
local terms energy: -784.680465
where:
bonds (distance) C4'-P energy: -140.793
bonds (distance) P-C4' energy: -156.358
flat angles C4'-P-C4' energy: -168.312
flat angles P-C4'-P energy: -108.628
tors. eta vs tors. theta energy: -210.590
Dist. restrs. and SS energy: 6.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -2499.082178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.082178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.376919 (E_RNA)
where:
Base-Base interactions energy: -1767.562
where: short stacking energy: -749.636
Base-Backbone interact. energy: 0.221
local terms energy: -738.035285
where:
bonds (distance) C4'-P energy: -129.097
bonds (distance) P-C4' energy: -121.870
flat angles C4'-P-C4' energy: -150.890
flat angles P-C4'-P energy: -104.746
tors. eta vs tors. theta energy: -231.432
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: 6, replica: 5
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -2358.096302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.096302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.246459 (E_RNA)
where:
Base-Base interactions energy: -1645.156
where: short stacking energy: -676.725
Base-Backbone interact. energy: 1.558
local terms energy: -718.648931
where:
bonds (distance) C4'-P energy: -124.658
bonds (distance) P-C4' energy: -140.956
flat angles C4'-P-C4' energy: -159.674
flat angles P-C4'-P energy: -101.725
tors. eta vs tors. theta energy: -191.636
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: 7, replica: 1
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -2305.915506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.915506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.666843 (E_RNA)
where:
Base-Base interactions energy: -1628.729
where: short stacking energy: -696.155
Base-Backbone interact. energy: -1.419
local terms energy: -683.518995
where:
bonds (distance) C4'-P energy: -129.421
bonds (distance) P-C4' energy: -126.879
flat angles C4'-P-C4' energy: -136.489
flat angles P-C4'-P energy: -84.095
tors. eta vs tors. theta energy: -206.634
Dist. restrs. and SS energy: 7.751 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -2170.131118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.131118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.502988 (E_RNA)
where:
Base-Base interactions energy: -1524.721
where: short stacking energy: -641.575
Base-Backbone interact. energy: 1.278
local terms energy: -655.059142
where:
bonds (distance) C4'-P energy: -130.138
bonds (distance) P-C4' energy: -139.914
flat angles C4'-P-C4' energy: -122.371
flat angles P-C4'-P energy: -77.613
tors. eta vs tors. theta energy: -185.023
Dist. restrs. and SS energy: 8.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -2053.296151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.296151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.470830 (E_RNA)
where:
Base-Base interactions energy: -1444.947
where: short stacking energy: -584.872
Base-Backbone interact. energy: -3.181
local terms energy: -616.342629
where:
bonds (distance) C4'-P energy: -113.501
bonds (distance) P-C4' energy: -140.838
flat angles C4'-P-C4' energy: -129.453
flat angles P-C4'-P energy: -79.181
tors. eta vs tors. theta energy: -153.369
Dist. restrs. and SS energy: 11.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -1957.756661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.756661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.690541 (E_RNA)
where:
Base-Base interactions energy: -1358.094
where: short stacking energy: -577.844
Base-Backbone interact. energy: -0.148
local terms energy: -620.448970
where:
bonds (distance) C4'-P energy: -103.190
bonds (distance) P-C4' energy: -139.769
flat angles C4'-P-C4' energy: -131.522
flat angles P-C4'-P energy: -82.034
tors. eta vs tors. theta energy: -163.935
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: 1, replica: 3
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -2831.390457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2831.390457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2835.116498 (E_RNA)
where:
Base-Base interactions energy: -2001.804
where: short stacking energy: -823.090
Base-Backbone interact. energy: -2.955
local terms energy: -830.357991
where:
bonds (distance) C4'-P energy: -146.696
bonds (distance) P-C4' energy: -148.748
flat angles C4'-P-C4' energy: -178.481
flat angles P-C4'-P energy: -102.517
tors. eta vs tors. theta energy: -253.916
Dist. restrs. and SS energy: 3.726 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -2702.499894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.499894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.908191 (E_RNA)
where:
Base-Base interactions energy: -1872.152
where: short stacking energy: -789.041
Base-Backbone interact. energy: -1.970
local terms energy: -831.786203
where:
bonds (distance) C4'-P energy: -143.236
bonds (distance) P-C4' energy: -144.779
flat angles C4'-P-C4' energy: -180.665
flat angles P-C4'-P energy: -117.190
tors. eta vs tors. theta energy: -245.917
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: 8
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -2636.852434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.852434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.177308 (E_RNA)
where:
Base-Base interactions energy: -1846.097
where: short stacking energy: -785.512
Base-Backbone interact. energy: -3.401
local terms energy: -793.678691
where:
bonds (distance) C4'-P energy: -136.336
bonds (distance) P-C4' energy: -129.587
flat angles C4'-P-C4' energy: -175.941
flat angles P-C4'-P energy: -107.756
tors. eta vs tors. theta energy: -244.060
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: 6
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -2478.782459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.782459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.230287 (E_RNA)
where:
Base-Base interactions energy: -1749.774
where: short stacking energy: -763.992
Base-Backbone interact. energy: 0.556
local terms energy: -735.012226
where:
bonds (distance) C4'-P energy: -120.179
bonds (distance) P-C4' energy: -133.774
flat angles C4'-P-C4' energy: -151.075
flat angles P-C4'-P energy: -102.913
tors. eta vs tors. theta energy: -227.070
Dist. restrs. and SS energy: 5.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -2480.279933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.279933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.857193 (E_RNA)
where:
Base-Base interactions energy: -1725.191
where: short stacking energy: -736.786
Base-Backbone interact. energy: -4.718
local terms energy: -756.948231
where:
bonds (distance) C4'-P energy: -140.799
bonds (distance) P-C4' energy: -136.517
flat angles C4'-P-C4' energy: -157.851
flat angles P-C4'-P energy: -95.720
tors. eta vs tors. theta energy: -226.061
Dist. restrs. and SS energy: 6.577 (S_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: 332
Temperature: 1.150000
Total energy: -2344.897510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.897510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.651514 (E_RNA)
where:
Base-Base interactions energy: -1656.791
where: short stacking energy: -700.260
Base-Backbone interact. energy: 6.388
local terms energy: -700.248708
where:
bonds (distance) C4'-P energy: -123.642
bonds (distance) P-C4' energy: -121.557
flat angles C4'-P-C4' energy: -153.132
flat angles P-C4'-P energy: -91.536
tors. eta vs tors. theta energy: -210.381
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: 7, replica: 1
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -2309.717199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.717199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.071934 (E_RNA)
where:
Base-Base interactions energy: -1619.005
where: short stacking energy: -682.258
Base-Backbone interact. energy: 0.148
local terms energy: -703.214198
where:
bonds (distance) C4'-P energy: -127.287
bonds (distance) P-C4' energy: -120.579
flat angles C4'-P-C4' energy: -146.282
flat angles P-C4'-P energy: -109.684
tors. eta vs tors. theta energy: -199.382
Dist. restrs. and SS energy: 12.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -2217.450303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.450303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.631595 (E_RNA)
where:
Base-Base interactions energy: -1588.886
where: short stacking energy: -682.496
Base-Backbone interact. energy: -5.582
local terms energy: -632.163344
where:
bonds (distance) C4'-P energy: -96.394
bonds (distance) P-C4' energy: -116.306
flat angles C4'-P-C4' energy: -131.851
flat angles P-C4'-P energy: -96.745
tors. eta vs tors. theta energy: -190.868
Dist. restrs. and SS energy: 9.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -2104.072667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.072667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.186876 (E_RNA)
where:
Base-Base interactions energy: -1482.307
where: short stacking energy: -594.956
Base-Backbone interact. energy: -0.094
local terms energy: -631.785137
where:
bonds (distance) C4'-P energy: -107.324
bonds (distance) P-C4' energy: -122.880
flat angles C4'-P-C4' energy: -147.990
flat angles P-C4'-P energy: -78.354
tors. eta vs tors. theta energy: -175.237
Dist. restrs. and SS energy: 10.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -1963.759187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.759187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.967191 (E_RNA)
where:
Base-Base interactions energy: -1400.651
where: short stacking energy: -586.589
Base-Backbone interact. energy: 1.311
local terms energy: -582.627448
where:
bonds (distance) C4'-P energy: -117.878
bonds (distance) P-C4' energy: -98.286
flat angles C4'-P-C4' energy: -115.998
flat angles P-C4'-P energy: -78.964
tors. eta vs tors. theta energy: -171.502
Dist. restrs. and SS energy: 18.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -2812.586955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.586955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2816.373473 (E_RNA)
where:
Base-Base interactions energy: -1974.745
where: short stacking energy: -818.216
Base-Backbone interact. energy: -1.504
local terms energy: -840.124378
where:
bonds (distance) C4'-P energy: -150.635
bonds (distance) P-C4' energy: -149.431
flat angles C4'-P-C4' energy: -163.969
flat angles P-C4'-P energy: -132.601
tors. eta vs tors. theta energy: -243.487
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: 10
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -2715.874742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.874742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.203659 (E_RNA)
where:
Base-Base interactions energy: -1898.549
where: short stacking energy: -811.077
Base-Backbone interact. energy: -2.652
local terms energy: -819.003172
where:
bonds (distance) C4'-P energy: -144.600
bonds (distance) P-C4' energy: -146.439
flat angles C4'-P-C4' energy: -167.750
flat angles P-C4'-P energy: -115.804
tors. eta vs tors. theta energy: -244.410
Dist. restrs. and SS energy: 4.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -2629.758850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.758850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.235747 (E_RNA)
where:
Base-Base interactions energy: -1857.970
where: short stacking energy: -784.511
Base-Backbone interact. energy: 1.253
local terms energy: -779.518570
where:
bonds (distance) C4'-P energy: -135.688
bonds (distance) P-C4' energy: -129.352
flat angles C4'-P-C4' energy: -162.658
flat angles P-C4'-P energy: -112.272
tors. eta vs tors. theta energy: -239.549
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: 4, replica: 2
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -2535.916738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.916738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.672978 (E_RNA)
where:
Base-Base interactions energy: -1783.632
where: short stacking energy: -729.297
Base-Backbone interact. energy: -2.121
local terms energy: -753.919382
where:
bonds (distance) C4'-P energy: -133.577
bonds (distance) P-C4' energy: -131.542
flat angles C4'-P-C4' energy: -161.920
flat angles P-C4'-P energy: -103.252
tors. eta vs tors. theta energy: -223.628
Dist. restrs. and SS energy: 3.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -2442.196133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.196133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.746629 (E_RNA)
where:
Base-Base interactions energy: -1737.213
where: short stacking energy: -745.033
Base-Backbone interact. energy: -3.500
local terms energy: -709.033785
where:
bonds (distance) C4'-P energy: -127.274
bonds (distance) P-C4' energy: -125.409
flat angles C4'-P-C4' energy: -142.085
flat angles P-C4'-P energy: -96.593
tors. eta vs tors. theta energy: -217.673
Dist. restrs. and SS energy: 7.550 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -2356.993200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.993200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.732913 (E_RNA)
where:
Base-Base interactions energy: -1650.138
where: short stacking energy: -688.463
Base-Backbone interact. energy: -2.764
local terms energy: -710.831259
where:
bonds (distance) C4'-P energy: -121.776
bonds (distance) P-C4' energy: -134.267
flat angles C4'-P-C4' energy: -151.325
flat angles P-C4'-P energy: -104.449
tors. eta vs tors. theta energy: -199.014
Dist. restrs. and SS energy: 6.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -2321.100332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.100332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.666396 (E_RNA)
where:
Base-Base interactions energy: -1619.658
where: short stacking energy: -698.078
Base-Backbone interact. energy: -2.630
local terms energy: -708.378616
where:
bonds (distance) C4'-P energy: -124.898
bonds (distance) P-C4' energy: -122.541
flat angles C4'-P-C4' energy: -153.839
flat angles P-C4'-P energy: -91.032
tors. eta vs tors. theta energy: -216.068
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: 4
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -2152.390200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.390200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.919745 (E_RNA)
where:
Base-Base interactions energy: -1500.063
where: short stacking energy: -617.764
Base-Backbone interact. energy: 0.024
local terms energy: -659.880741
where:
bonds (distance) C4'-P energy: -113.821
bonds (distance) P-C4' energy: -113.308
flat angles C4'-P-C4' energy: -145.372
flat angles P-C4'-P energy: -105.416
tors. eta vs tors. theta energy: -181.964
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: 9, replica: 9
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -2129.680414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.680414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.840315 (E_RNA)
where:
Base-Base interactions energy: -1506.053
where: short stacking energy: -629.448
Base-Backbone interact. energy: -3.171
local terms energy: -630.615643
where:
bonds (distance) C4'-P energy: -107.087
bonds (distance) P-C4' energy: -117.709
flat angles C4'-P-C4' energy: -145.686
flat angles P-C4'-P energy: -75.730
tors. eta vs tors. theta energy: -184.403
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: 10, replica: 7
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -1978.423058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.423058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.823708 (E_RNA)
where:
Base-Base interactions energy: -1387.649
where: short stacking energy: -563.004
Base-Backbone interact. energy: -4.448
local terms energy: -612.727640
where:
bonds (distance) C4'-P energy: -130.658
bonds (distance) P-C4' energy: -98.405
flat angles C4'-P-C4' energy: -128.269
flat angles P-C4'-P energy: -77.388
tors. eta vs tors. theta energy: -178.008
Dist. restrs. and SS energy: 26.401 (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: 3
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -2815.670072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2815.670072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2820.217812 (E_RNA)
where:
Base-Base interactions energy: -1997.337
where: short stacking energy: -822.104
Base-Backbone interact. energy: 1.993
local terms energy: -824.874088
where:
bonds (distance) C4'-P energy: -135.059
bonds (distance) P-C4' energy: -140.962
flat angles C4'-P-C4' energy: -177.827
flat angles P-C4'-P energy: -123.072
tors. eta vs tors. theta energy: -247.955
Dist. restrs. and SS energy: 4.548 (S_DIST_RNA)
chem. 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: -2728.871042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.871042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.234656 (E_RNA)
where:
Base-Base interactions energy: -1913.988
where: short stacking energy: -818.380
Base-Backbone interact. energy: 0.260
local terms energy: -818.506366
where:
bonds (distance) C4'-P energy: -146.824
bonds (distance) P-C4' energy: -143.052
flat angles C4'-P-C4' energy: -165.905
flat angles P-C4'-P energy: -122.330
tors. eta vs tors. theta energy: -240.396
Dist. restrs. and SS energy: 3.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -2637.612060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.612060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.937129 (E_RNA)
where:
Base-Base interactions energy: -1832.581
where: short stacking energy: -793.629
Base-Backbone interact. energy: -4.462
local terms energy: -806.894681
where:
bonds (distance) C4'-P energy: -146.106
bonds (distance) P-C4' energy: -127.529
flat angles C4'-P-C4' energy: -166.157
flat angles P-C4'-P energy: -120.318
tors. eta vs tors. theta energy: -246.784
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: 2
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -2529.714594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.714594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.381844 (E_RNA)
where:
Base-Base interactions energy: -1767.162
where: short stacking energy: -736.488
Base-Backbone interact. energy: -0.070
local terms energy: -769.149773
where:
bonds (distance) C4'-P energy: -141.144
bonds (distance) P-C4' energy: -144.772
flat angles C4'-P-C4' energy: -146.872
flat angles P-C4'-P energy: -111.580
tors. eta vs tors. theta energy: -224.781
Dist. restrs. and SS energy: 6.667 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -2430.865642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.865642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.895717 (E_RNA)
where:
Base-Base interactions energy: -1683.397
where: short stacking energy: -704.810
Base-Backbone interact. energy: -2.100
local terms energy: -751.399330
where:
bonds (distance) C4'-P energy: -142.619
bonds (distance) P-C4' energy: -136.287
flat angles C4'-P-C4' energy: -160.377
flat angles P-C4'-P energy: -94.421
tors. eta vs tors. theta energy: -217.696
Dist. restrs. and SS energy: 6.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -2368.068102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.068102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.134395 (E_RNA)
where:
Base-Base interactions energy: -1687.524
where: short stacking energy: -694.206
Base-Backbone interact. energy: 2.040
local terms energy: -685.649763
where:
bonds (distance) C4'-P energy: -116.275
bonds (distance) P-C4' energy: -123.180
flat angles C4'-P-C4' energy: -152.951
flat angles P-C4'-P energy: -100.398
tors. eta vs tors. theta energy: -192.846
Dist. restrs. and SS energy: 3.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -2306.599715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.599715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.380195 (E_RNA)
where:
Base-Base interactions energy: -1624.786
where: short stacking energy: -693.837
Base-Backbone interact. energy: -2.540
local terms energy: -687.054821
where:
bonds (distance) C4'-P energy: -113.433
bonds (distance) P-C4' energy: -115.842
flat angles C4'-P-C4' energy: -150.396
flat angles P-C4'-P energy: -88.509
tors. eta vs tors. theta energy: -218.874
Dist. restrs. and SS energy: 7.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -2183.869986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.869986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.877963 (E_RNA)
where:
Base-Base interactions energy: -1546.511
where: short stacking energy: -629.315
Base-Backbone interact. energy: 0.947
local terms energy: -649.313904
where:
bonds (distance) C4'-P energy: -118.774
bonds (distance) P-C4' energy: -124.627
flat angles C4'-P-C4' energy: -124.170
flat angles P-C4'-P energy: -92.895
tors. eta vs tors. theta energy: -188.848
Dist. restrs. and SS energy: 11.008 (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: 9
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -2130.412127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.412127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.639380 (E_RNA)
where:
Base-Base interactions energy: -1524.617
where: short stacking energy: -641.729
Base-Backbone interact. energy: -6.542
local terms energy: -609.480689
where:
bonds (distance) C4'-P energy: -98.815
bonds (distance) P-C4' energy: -111.847
flat angles C4'-P-C4' energy: -126.245
flat angles P-C4'-P energy: -90.332
tors. eta vs tors. theta energy: -182.241
Dist. restrs. and SS energy: 10.227 (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: 7
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -1952.829701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.829701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.395139 (E_RNA)
where:
Base-Base interactions energy: -1401.594
where: short stacking energy: -588.327
Base-Backbone interact. energy: -3.169
local terms energy: -577.631187
where:
bonds (distance) C4'-P energy: -101.674
bonds (distance) P-C4' energy: -109.799
flat angles C4'-P-C4' energy: -108.820
flat angles P-C4'-P energy: -90.339
tors. eta vs tors. theta energy: -166.999
Dist. restrs. and SS energy: 29.565 (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: 3
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -2782.077933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.077933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2785.999306 (E_RNA)
where:
Base-Base interactions energy: -1969.851
where: short stacking energy: -804.414
Base-Backbone interact. energy: -3.517
local terms energy: -812.631025
where:
bonds (distance) C4'-P energy: -137.731
bonds (distance) P-C4' energy: -154.378
flat angles C4'-P-C4' energy: -165.266
flat angles P-C4'-P energy: -118.301
tors. eta vs tors. theta energy: -236.955
Dist. restrs. and SS energy: 3.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -2722.001178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.001178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2725.078780 (E_RNA)
where:
Base-Base interactions energy: -1874.372
where: short stacking energy: -802.910
Base-Backbone interact. energy: 1.459
local terms energy: -852.165944
where:
bonds (distance) C4'-P energy: -156.589
bonds (distance) P-C4' energy: -144.139
flat angles C4'-P-C4' energy: -174.327
flat angles P-C4'-P energy: -127.830
tors. eta vs tors. theta energy: -249.281
Dist. restrs. and SS energy: 3.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -2630.761796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.761796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.207269 (E_RNA)
where:
Base-Base interactions energy: -1831.954
where: short stacking energy: -800.791
Base-Backbone interact. energy: 2.645
local terms energy: -803.898798
where:
bonds (distance) C4'-P energy: -133.435
bonds (distance) P-C4' energy: -144.891
flat angles C4'-P-C4' energy: -174.377
flat angles P-C4'-P energy: -117.452
tors. eta vs tors. theta energy: -233.742
Dist. restrs. and SS energy: 2.445 (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: 335
Temperature: 1.050000
Total energy: -2526.492655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.492655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.787281 (E_RNA)
where:
Base-Base interactions energy: -1767.886
where: short stacking energy: -765.438
Base-Backbone interact. energy: 1.290
local terms energy: -766.191754
where:
bonds (distance) C4'-P energy: -123.663
bonds (distance) P-C4' energy: -144.403
flat angles C4'-P-C4' energy: -164.650
flat angles P-C4'-P energy: -109.085
tors. eta vs tors. theta energy: -224.390
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: 6
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -2434.959552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.959552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.557671 (E_RNA)
where:
Base-Base interactions energy: -1703.479
where: short stacking energy: -719.532
Base-Backbone interact. energy: -0.456
local terms energy: -744.622745
where:
bonds (distance) C4'-P energy: -143.573
bonds (distance) P-C4' energy: -130.287
flat angles C4'-P-C4' energy: -149.561
flat angles P-C4'-P energy: -98.945
tors. eta vs tors. theta energy: -222.258
Dist. restrs. and SS energy: 13.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -2398.140246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.140246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.043943 (E_RNA)
where:
Base-Base interactions energy: -1703.218
where: short stacking energy: -712.626
Base-Backbone interact. energy: -2.787
local terms energy: -696.039009
where:
bonds (distance) C4'-P energy: -135.869
bonds (distance) P-C4' energy: -121.500
flat angles C4'-P-C4' energy: -139.966
flat angles P-C4'-P energy: -102.138
tors. eta vs tors. theta energy: -196.566
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: 7, replica: 1
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -2301.381000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.381000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.283870 (E_RNA)
where:
Base-Base interactions energy: -1615.343
where: short stacking energy: -699.102
Base-Backbone interact. energy: -0.996
local terms energy: -694.945104
where:
bonds (distance) C4'-P energy: -126.687
bonds (distance) P-C4' energy: -129.308
flat angles C4'-P-C4' energy: -148.189
flat angles P-C4'-P energy: -77.229
tors. eta vs tors. theta energy: -213.532
Dist. restrs. and SS energy: 9.903 (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: 335
Temperature: 1.250000
Total energy: -2200.748265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.748265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.617329 (E_RNA)
where:
Base-Base interactions energy: -1551.456
where: short stacking energy: -639.132
Base-Backbone interact. energy: -1.740
local terms energy: -654.421199
where:
bonds (distance) C4'-P energy: -107.516
bonds (distance) P-C4' energy: -126.472
flat angles C4'-P-C4' energy: -146.254
flat angles P-C4'-P energy: -89.715
tors. eta vs tors. theta energy: -184.465
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: 9, replica: 9
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -2090.108895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.108895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.789973 (E_RNA)
where:
Base-Base interactions energy: -1486.404
where: short stacking energy: -608.890
Base-Backbone interact. energy: -2.147
local terms energy: -615.238197
where:
bonds (distance) C4'-P energy: -101.468
bonds (distance) P-C4' energy: -122.430
flat angles C4'-P-C4' energy: -138.346
flat angles P-C4'-P energy: -80.720
tors. eta vs tors. theta energy: -172.275
Dist. restrs. and SS energy: 13.681 (S_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: 335
Temperature: 1.350000
Total energy: -1896.452617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.452617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.182098 (E_RNA)
where:
Base-Base interactions energy: -1347.333
where: short stacking energy: -562.842
Base-Backbone interact. energy: -6.063
local terms energy: -567.786338
where:
bonds (distance) C4'-P energy: -110.549
bonds (distance) P-C4' energy: -101.076
flat angles C4'-P-C4' energy: -112.317
flat angles P-C4'-P energy: -75.812
tors. eta vs tors. theta energy: -168.033
Dist. restrs. and SS energy: 24.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -2797.138911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.138911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.194188 (E_RNA)
where:
Base-Base interactions energy: -1965.616
where: short stacking energy: -809.729
Base-Backbone interact. energy: -2.389
local terms energy: -831.188813
where:
bonds (distance) C4'-P energy: -142.334
bonds (distance) P-C4' energy: -153.295
flat angles C4'-P-C4' energy: -169.902
flat angles P-C4'-P energy: -116.547
tors. eta vs tors. theta energy: -249.111
Dist. restrs. and SS energy: 2.055 (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: 10
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -2710.441652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.441652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.815064 (E_RNA)
where:
Base-Base interactions energy: -1904.726
where: short stacking energy: -809.219
Base-Backbone interact. energy: -2.625
local terms energy: -806.464020
where:
bonds (distance) C4'-P energy: -138.671
bonds (distance) P-C4' energy: -156.832
flat angles C4'-P-C4' energy: -156.340
flat angles P-C4'-P energy: -110.006
tors. eta vs tors. theta energy: -244.614
Dist. restrs. and SS energy: 3.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -2615.591212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.591212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.179263 (E_RNA)
where:
Base-Base interactions energy: -1807.364
where: short stacking energy: -758.478
Base-Backbone interact. energy: 5.214
local terms energy: -818.029164
where:
bonds (distance) C4'-P energy: -153.094
bonds (distance) P-C4' energy: -155.118
flat angles C4'-P-C4' energy: -167.768
flat angles P-C4'-P energy: -114.644
tors. eta vs tors. theta energy: -227.406
Dist. restrs. and SS energy: 4.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -2540.578283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.578283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.165620 (E_RNA)
where:
Base-Base interactions energy: -1791.808
where: short stacking energy: -747.405
Base-Backbone interact. energy: 4.816
local terms energy: -760.174199
where:
bonds (distance) C4'-P energy: -137.095
bonds (distance) P-C4' energy: -122.497
flat angles C4'-P-C4' energy: -156.797
flat angles P-C4'-P energy: -119.508
tors. eta vs tors. theta energy: -224.278
Dist. restrs. and SS energy: 6.587 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -2436.861218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.861218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.705005 (E_RNA)
where:
Base-Base interactions energy: -1729.520
where: short stacking energy: -741.977
Base-Backbone interact. energy: -1.014
local terms energy: -717.170346
where:
bonds (distance) C4'-P energy: -124.749
bonds (distance) P-C4' energy: -115.388
flat angles C4'-P-C4' energy: -156.152
flat angles P-C4'-P energy: -100.540
tors. eta vs tors. theta energy: -220.342
Dist. restrs. and SS energy: 10.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -2382.791778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.791778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.761413 (E_RNA)
where:
Base-Base interactions energy: -1679.797
where: short stacking energy: -711.964
Base-Backbone interact. energy: -1.797
local terms energy: -705.167827
where:
bonds (distance) C4'-P energy: -123.165
bonds (distance) P-C4' energy: -122.051
flat angles C4'-P-C4' energy: -157.103
flat angles P-C4'-P energy: -106.086
tors. eta vs tors. theta energy: -196.762
Dist. restrs. and SS energy: 3.970 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -2323.553745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.553745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.974008 (E_RNA)
where:
Base-Base interactions energy: -1651.215
where: short stacking energy: -694.613
Base-Backbone interact. energy: -2.150
local terms energy: -679.608516
where:
bonds (distance) C4'-P energy: -111.138
bonds (distance) P-C4' energy: -120.079
flat angles C4'-P-C4' energy: -143.746
flat angles P-C4'-P energy: -97.161
tors. eta vs tors. theta energy: -207.485
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: 8, replica: 4
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -2216.278829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.278829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.049386 (E_RNA)
where:
Base-Base interactions energy: -1542.076
where: short stacking energy: -658.097
Base-Backbone interact. energy: 1.929
local terms energy: -683.902303
where:
bonds (distance) C4'-P energy: -133.915
bonds (distance) P-C4' energy: -116.644
flat angles C4'-P-C4' energy: -149.715
flat angles P-C4'-P energy: -95.379
tors. eta vs tors. theta energy: -188.249
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: 9, replica: 7
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -2032.544353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.544353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.647852 (E_RNA)
where:
Base-Base interactions energy: -1406.325
where: short stacking energy: -604.831
Base-Backbone interact. energy: -2.363
local terms energy: -645.959163
where:
bonds (distance) C4'-P energy: -103.747
bonds (distance) P-C4' energy: -129.850
flat angles C4'-P-C4' energy: -134.850
flat angles P-C4'-P energy: -84.233
tors. eta vs tors. theta energy: -193.280
Dist. restrs. and SS energy: 22.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -2065.264262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.264262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.944661 (E_RNA)
where:
Base-Base interactions energy: -1457.907
where: short stacking energy: -592.594
Base-Backbone interact. energy: -0.035
local terms energy: -622.002447
where:
bonds (distance) C4'-P energy: -114.406
bonds (distance) P-C4' energy: -111.043
flat angles C4'-P-C4' energy: -135.944
flat angles P-C4'-P energy: -95.307
tors. eta vs tors. theta energy: -165.302
Dist. restrs. and SS energy: 14.680 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -2787.393882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.393882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.989960 (E_RNA)
where:
Base-Base interactions energy: -1959.048
where: short stacking energy: -814.002
Base-Backbone interact. energy: -3.154
local terms energy: -827.787944
where:
bonds (distance) C4'-P energy: -133.726
bonds (distance) P-C4' energy: -150.581
flat angles C4'-P-C4' energy: -165.216
flat angles P-C4'-P energy: -134.793
tors. eta vs tors. theta energy: -243.472
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: 10
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -2681.254156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.254156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.625304 (E_RNA)
where:
Base-Base interactions energy: -1873.206
where: short stacking energy: -787.600
Base-Backbone interact. energy: -0.878
local terms energy: -811.541289
where:
bonds (distance) C4'-P energy: -131.437
bonds (distance) P-C4' energy: -151.119
flat angles C4'-P-C4' energy: -171.121
flat angles P-C4'-P energy: -119.394
tors. eta vs tors. theta energy: -238.470
Dist. restrs. and SS energy: 4.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -2612.061596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.061596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.276936 (E_RNA)
where:
Base-Base interactions energy: -1825.653
where: short stacking energy: -777.328
Base-Backbone interact. energy: -0.777
local terms energy: -788.846398
where:
bonds (distance) C4'-P energy: -133.463
bonds (distance) P-C4' energy: -130.151
flat angles C4'-P-C4' energy: -169.730
flat angles P-C4'-P energy: -128.621
tors. eta vs tors. theta energy: -226.881
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: 4, replica: 2
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -2542.289148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.289148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.051571 (E_RNA)
where:
Base-Base interactions energy: -1786.299
where: short stacking energy: -738.885
Base-Backbone interact. energy: 2.851
local terms energy: -765.604180
where:
bonds (distance) C4'-P energy: -136.110
bonds (distance) P-C4' energy: -137.452
flat angles C4'-P-C4' energy: -160.285
flat angles P-C4'-P energy: -109.612
tors. eta vs tors. theta energy: -222.145
Dist. restrs. and SS energy: 6.762 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -2453.978442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.978442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.721544 (E_RNA)
where:
Base-Base interactions energy: -1741.421
where: short stacking energy: -754.117
Base-Backbone interact. energy: -1.878
local terms energy: -717.421805
where:
bonds (distance) C4'-P energy: -130.548
bonds (distance) P-C4' energy: -115.588
flat angles C4'-P-C4' energy: -151.563
flat angles P-C4'-P energy: -90.836
tors. eta vs tors. theta energy: -228.887
Dist. restrs. and SS energy: 6.743 (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: 5
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -2375.724293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.724293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.800437 (E_RNA)
where:
Base-Base interactions energy: -1703.368
where: short stacking energy: -707.003
Base-Backbone interact. energy: -0.758
local terms energy: -679.674971
where:
bonds (distance) C4'-P energy: -107.223
bonds (distance) P-C4' energy: -114.079
flat angles C4'-P-C4' energy: -155.615
flat angles P-C4'-P energy: -99.446
tors. eta vs tors. theta energy: -203.313
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: 7, replica: 1
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -2293.946638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.946638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.707769 (E_RNA)
where:
Base-Base interactions energy: -1580.966
where: short stacking energy: -655.666
Base-Backbone interact. energy: -1.676
local terms energy: -720.065858
where:
bonds (distance) C4'-P energy: -124.473
bonds (distance) P-C4' energy: -133.116
flat angles C4'-P-C4' energy: -157.538
flat angles P-C4'-P energy: -99.459
tors. eta vs tors. theta energy: -205.480
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: 8, replica: 4
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -2192.903086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.903086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.102221 (E_RNA)
where:
Base-Base interactions energy: -1532.886
where: short stacking energy: -649.876
Base-Backbone interact. energy: -3.503
local terms energy: -666.713111
where:
bonds (distance) C4'-P energy: -123.611
bonds (distance) P-C4' energy: -128.358
flat angles C4'-P-C4' energy: -128.741
flat angles P-C4'-P energy: -91.044
tors. eta vs tors. theta energy: -194.959
Dist. restrs. and SS energy: 10.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -1984.094359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.094359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.059528 (E_RNA)
where:
Base-Base interactions energy: -1364.587
where: short stacking energy: -560.983
Base-Backbone interact. energy: 2.264
local terms energy: -639.736866
where:
bonds (distance) C4'-P energy: -122.488
bonds (distance) P-C4' energy: -124.945
flat angles C4'-P-C4' energy: -137.549
flat angles P-C4'-P energy: -81.137
tors. eta vs tors. theta energy: -173.618
Dist. restrs. and SS energy: 17.965 (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: 9
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -2086.818774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.818774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.149849 (E_RNA)
where:
Base-Base interactions energy: -1462.352
where: short stacking energy: -606.607
Base-Backbone interact. energy: -3.398
local terms energy: -637.399537
where:
bonds (distance) C4'-P energy: -124.590
bonds (distance) P-C4' energy: -122.338
flat angles C4'-P-C4' energy: -131.061
flat angles P-C4'-P energy: -83.540
tors. eta vs tors. theta energy: -175.871
Dist. restrs. and SS energy: 16.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -2804.905509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2804.905509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.571167 (E_RNA)
where:
Base-Base interactions energy: -1946.892
where: short stacking energy: -811.951
Base-Backbone interact. energy: -3.862
local terms energy: -856.817918
where:
bonds (distance) C4'-P energy: -153.672
bonds (distance) P-C4' energy: -155.503
flat angles C4'-P-C4' energy: -173.857
flat angles P-C4'-P energy: -131.045
tors. eta vs tors. theta energy: -242.740
Dist. restrs. and SS energy: 2.666 (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: 10
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -2699.308526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.308526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.915383 (E_RNA)
where:
Base-Base interactions energy: -1861.783
where: short stacking energy: -810.192
Base-Backbone interact. energy: -2.355
local terms energy: -837.776709
where:
bonds (distance) C4'-P energy: -154.602
bonds (distance) P-C4' energy: -150.560
flat angles C4'-P-C4' energy: -176.050
flat angles P-C4'-P energy: -112.605
tors. eta vs tors. theta energy: -243.960
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: 3, replica: 8
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -2609.595556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.595556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.897314 (E_RNA)
where:
Base-Base interactions energy: -1799.201
where: short stacking energy: -747.137
Base-Backbone interact. energy: -2.673
local terms energy: -811.023192
where:
bonds (distance) C4'-P energy: -156.433
bonds (distance) P-C4' energy: -141.122
flat angles C4'-P-C4' energy: -170.476
flat angles P-C4'-P energy: -118.306
tors. eta vs tors. theta energy: -224.686
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: 2
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -2572.059694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.059694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.710932 (E_RNA)
where:
Base-Base interactions energy: -1778.335
where: short stacking energy: -768.423
Base-Backbone interact. energy: -0.844
local terms energy: -798.531622
where:
bonds (distance) C4'-P energy: -151.162
bonds (distance) P-C4' energy: -145.798
flat angles C4'-P-C4' energy: -164.579
flat angles P-C4'-P energy: -105.975
tors. eta vs tors. theta energy: -231.017
Dist. restrs. and SS energy: 5.651 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -2466.592625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.592625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.977747 (E_RNA)
where:
Base-Base interactions energy: -1742.778
where: short stacking energy: -731.424
Base-Backbone interact. energy: -4.485
local terms energy: -723.714858
where:
bonds (distance) C4'-P energy: -129.293
bonds (distance) P-C4' energy: -139.709
flat angles C4'-P-C4' energy: -153.773
flat angles P-C4'-P energy: -90.730
tors. eta vs tors. theta energy: -210.210
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: 6, replica: 5
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -2343.027429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.027429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.449270 (E_RNA)
where:
Base-Base interactions energy: -1654.433
where: short stacking energy: -712.625
Base-Backbone interact. energy: 0.156
local terms energy: -693.172984
where:
bonds (distance) C4'-P energy: -127.468
bonds (distance) P-C4' energy: -119.361
flat angles C4'-P-C4' energy: -141.955
flat angles P-C4'-P energy: -95.912
tors. eta vs tors. theta energy: -208.477
Dist. restrs. and SS energy: 4.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -2305.601254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.601254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.024531 (E_RNA)
where:
Base-Base interactions energy: -1619.642
where: short stacking energy: -668.898
Base-Backbone interact. energy: -1.168
local terms energy: -697.215031
where:
bonds (distance) C4'-P energy: -112.294
bonds (distance) P-C4' energy: -123.487
flat angles C4'-P-C4' energy: -150.220
flat angles P-C4'-P energy: -101.900
tors. eta vs tors. theta energy: -209.314
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: 8, replica: 4
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -2202.468269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.468269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.079421 (E_RNA)
where:
Base-Base interactions energy: -1573.682
where: short stacking energy: -668.807
Base-Backbone interact. energy: 1.818
local terms energy: -639.214826
where:
bonds (distance) C4'-P energy: -101.920
bonds (distance) P-C4' energy: -125.362
flat angles C4'-P-C4' energy: -140.476
flat angles P-C4'-P energy: -78.386
tors. eta vs tors. theta energy: -193.071
Dist. restrs. and SS energy: 8.611 (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: 9
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -2117.285992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.285992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.418083 (E_RNA)
where:
Base-Base interactions energy: -1518.539
where: short stacking energy: -627.449
Base-Backbone interact. energy: -1.836
local terms energy: -607.042551
where:
bonds (distance) C4'-P energy: -108.542
bonds (distance) P-C4' energy: -123.948
flat angles C4'-P-C4' energy: -126.487
flat angles P-C4'-P energy: -82.547
tors. eta vs tors. theta energy: -165.518
Dist. restrs. and SS energy: 10.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -1912.751171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.751171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.284759 (E_RNA)
where:
Base-Base interactions energy: -1323.725
where: short stacking energy: -542.371
Base-Backbone interact. energy: -3.832
local terms energy: -610.728146
where:
bonds (distance) C4'-P energy: -121.328
bonds (distance) P-C4' energy: -122.147
flat angles C4'-P-C4' energy: -128.840
flat angles P-C4'-P energy: -83.671
tors. eta vs tors. theta energy: -154.742
Dist. restrs. and SS energy: 25.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -2791.087559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.087559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.542595 (E_RNA)
where:
Base-Base interactions energy: -1951.138
where: short stacking energy: -814.781
Base-Backbone interact. energy: -1.585
local terms energy: -841.819017
where:
bonds (distance) C4'-P energy: -154.004
bonds (distance) P-C4' energy: -146.066
flat angles C4'-P-C4' energy: -176.205
flat angles P-C4'-P energy: -118.498
tors. eta vs tors. theta energy: -247.046
Dist. restrs. and SS energy: 3.455 (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: 10
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -2685.435163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.435163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.778123 (E_RNA)
where:
Base-Base interactions energy: -1879.780
where: short stacking energy: -800.207
Base-Backbone interact. energy: 1.596
local terms energy: -811.593547
where:
bonds (distance) C4'-P energy: -141.333
bonds (distance) P-C4' energy: -145.282
flat angles C4'-P-C4' energy: -171.520
flat angles P-C4'-P energy: -116.698
tors. eta vs tors. theta energy: -236.760
Dist. restrs. and SS energy: 4.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -2622.982665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.982665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.226703 (E_RNA)
where:
Base-Base interactions energy: -1831.422
where: short stacking energy: -778.663
Base-Backbone interact. energy: 0.741
local terms energy: -795.545832
where:
bonds (distance) C4'-P energy: -133.768
bonds (distance) P-C4' energy: -133.808
flat angles C4'-P-C4' energy: -166.318
flat angles P-C4'-P energy: -123.527
tors. eta vs tors. theta energy: -238.125
Dist. restrs. and SS energy: 3.244 (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: 2
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -2520.811083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.811083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.798326 (E_RNA)
where:
Base-Base interactions energy: -1762.233
where: short stacking energy: -739.949
Base-Backbone interact. energy: -1.906
local terms energy: -765.659122
where:
bonds (distance) C4'-P energy: -139.797
bonds (distance) P-C4' energy: -133.425
flat angles C4'-P-C4' energy: -151.097
flat angles P-C4'-P energy: -109.155
tors. eta vs tors. theta energy: -232.186
Dist. restrs. and SS energy: 8.987 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -2453.631143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.631143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.593547 (E_RNA)
where:
Base-Base interactions energy: -1721.826
where: short stacking energy: -722.912
Base-Backbone interact. energy: -2.874
local terms energy: -732.893814
where:
bonds (distance) C4'-P energy: -130.654
bonds (distance) P-C4' energy: -130.431
flat angles C4'-P-C4' energy: -150.805
flat angles P-C4'-P energy: -96.230
tors. eta vs tors. theta energy: -224.774
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: 6, replica: 5
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -2313.588576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.588576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.595858 (E_RNA)
where:
Base-Base interactions energy: -1632.629
where: short stacking energy: -684.743
Base-Backbone interact. energy: -0.360
local terms energy: -685.606216
where:
bonds (distance) C4'-P energy: -131.635
bonds (distance) P-C4' energy: -107.923
flat angles C4'-P-C4' energy: -148.050
flat angles P-C4'-P energy: -101.979
tors. eta vs tors. theta energy: -196.020
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: 7, replica: 1
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -2296.616650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.616650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.374087 (E_RNA)
where:
Base-Base interactions energy: -1599.003
where: short stacking energy: -688.804
Base-Backbone interact. energy: 1.848
local terms energy: -712.218190
where:
bonds (distance) C4'-P energy: -123.484
bonds (distance) P-C4' energy: -125.434
flat angles C4'-P-C4' energy: -149.230
flat angles P-C4'-P energy: -103.598
tors. eta vs tors. theta energy: -210.473
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: 8, replica: 9
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -2164.091467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.091467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.974498 (E_RNA)
where:
Base-Base interactions energy: -1528.926
where: short stacking energy: -652.401
Base-Backbone interact. energy: 3.790
local terms energy: -650.838442
where:
bonds (distance) C4'-P energy: -114.765
bonds (distance) P-C4' energy: -116.142
flat angles C4'-P-C4' energy: -135.797
flat angles P-C4'-P energy: -94.712
tors. eta vs tors. theta energy: -189.422
Dist. restrs. and SS energy: 11.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -2171.738409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.738409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.461118 (E_RNA)
where:
Base-Base interactions energy: -1537.500
where: short stacking energy: -626.186
Base-Backbone interact. energy: -1.378
local terms energy: -641.582936
where:
bonds (distance) C4'-P energy: -108.353
bonds (distance) P-C4' energy: -125.610
flat angles C4'-P-C4' energy: -158.970
flat angles P-C4'-P energy: -71.031
tors. eta vs tors. theta energy: -177.619
Dist. restrs. and SS energy: 8.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -1971.888839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.888839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.665563 (E_RNA)
where:
Base-Base interactions energy: -1402.645
where: short stacking energy: -595.423
Base-Backbone interact. energy: -3.541
local terms energy: -584.479471
where:
bonds (distance) C4'-P energy: -98.168
bonds (distance) P-C4' energy: -102.831
flat angles C4'-P-C4' energy: -132.464
flat angles P-C4'-P energy: -91.351
tors. eta vs tors. theta energy: -159.665
Dist. restrs. and SS energy: 18.777 (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: 3
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -2840.372140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2840.372140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2843.650112 (E_RNA)
where:
Base-Base interactions energy: -1991.524
where: short stacking energy: -807.661
Base-Backbone interact. energy: -1.960
local terms energy: -850.165614
where:
bonds (distance) C4'-P energy: -159.099
bonds (distance) P-C4' energy: -157.997
flat angles C4'-P-C4' energy: -163.937
flat angles P-C4'-P energy: -121.919
tors. eta vs tors. theta energy: -247.213
Dist. restrs. and SS energy: 3.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -2733.887131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.887131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.883201 (E_RNA)
where:
Base-Base interactions energy: -1921.203
where: short stacking energy: -833.802
Base-Backbone interact. energy: -1.221
local terms energy: -815.458803
where:
bonds (distance) C4'-P energy: -135.248
bonds (distance) P-C4' energy: -139.508
flat angles C4'-P-C4' energy: -164.181
flat angles P-C4'-P energy: -128.262
tors. eta vs tors. theta energy: -248.260
Dist. restrs. and SS energy: 3.996 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -2604.107461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.107461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.358736 (E_RNA)
where:
Base-Base interactions energy: -1842.293
where: short stacking energy: -796.342
Base-Backbone interact. energy: -0.235
local terms energy: -765.830397
where:
bonds (distance) C4'-P energy: -125.314
bonds (distance) P-C4' energy: -122.098
flat angles C4'-P-C4' energy: -157.231
flat angles P-C4'-P energy: -120.215
tors. eta vs tors. theta energy: -240.971
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: 4, replica: 2
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -2558.360739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.360739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.546592 (E_RNA)
where:
Base-Base interactions energy: -1812.260
where: short stacking energy: -749.675
Base-Backbone interact. energy: 1.535
local terms energy: -754.821723
where:
bonds (distance) C4'-P energy: -130.069
bonds (distance) P-C4' energy: -130.851
flat angles C4'-P-C4' energy: -155.818
flat angles P-C4'-P energy: -114.963
tors. eta vs tors. theta energy: -223.122
Dist. restrs. and SS energy: 7.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -2464.003323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.003323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.896289 (E_RNA)
where:
Base-Base interactions energy: -1721.926
where: short stacking energy: -722.880
Base-Backbone interact. energy: -2.815
local terms energy: -746.156165
where:
bonds (distance) C4'-P energy: -127.281
bonds (distance) P-C4' energy: -128.885
flat angles C4'-P-C4' energy: -172.475
flat angles P-C4'-P energy: -101.057
tors. eta vs tors. theta energy: -216.457
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: 5
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -2385.439364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.439364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.802024 (E_RNA)
where:
Base-Base interactions energy: -1694.658
where: short stacking energy: -714.075
Base-Backbone interact. energy: 0.345
local terms energy: -694.489175
where:
bonds (distance) C4'-P energy: -134.263
bonds (distance) P-C4' energy: -122.862
flat angles C4'-P-C4' energy: -149.251
flat angles P-C4'-P energy: -91.791
tors. eta vs tors. theta energy: -196.322
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: 7, replica: 1
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -2259.838872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.838872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.284694 (E_RNA)
where:
Base-Base interactions energy: -1604.306
where: short stacking energy: -676.328
Base-Backbone interact. energy: 4.185
local terms energy: -672.163098
where:
bonds (distance) C4'-P energy: -96.000
bonds (distance) P-C4' energy: -136.574
flat angles C4'-P-C4' energy: -148.756
flat angles P-C4'-P energy: -94.991
tors. eta vs tors. theta energy: -195.843
Dist. restrs. and SS energy: 12.446 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -2226.286042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.286042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.456593 (E_RNA)
where:
Base-Base interactions energy: -1563.537
where: short stacking energy: -653.534
Base-Backbone interact. energy: -0.838
local terms energy: -673.081728
where:
bonds (distance) C4'-P energy: -124.579
bonds (distance) P-C4' energy: -127.075
flat angles C4'-P-C4' energy: -146.402
flat angles P-C4'-P energy: -91.286
tors. eta vs tors. theta energy: -183.739
Dist. restrs. and SS energy: 11.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -2098.349093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.349093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.664308 (E_RNA)
where:
Base-Base interactions energy: -1468.246
where: short stacking energy: -589.343
Base-Backbone interact. energy: -3.812
local terms energy: -632.605791
where:
bonds (distance) C4'-P energy: -107.339
bonds (distance) P-C4' energy: -110.040
flat angles C4'-P-C4' energy: -150.034
flat angles P-C4'-P energy: -86.575
tors. eta vs tors. theta energy: -178.618
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: 10, replica: 7
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -1968.528156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.528156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.136143 (E_RNA)
where:
Base-Base interactions energy: -1395.765
where: short stacking energy: -574.941
Base-Backbone interact. energy: -2.160
local terms energy: -593.210457
where:
bonds (distance) C4'-P energy: -109.270
bonds (distance) P-C4' energy: -118.684
flat angles C4'-P-C4' energy: -121.438
flat angles P-C4'-P energy: -72.809
tors. eta vs tors. theta energy: -171.009
Dist. restrs. and SS energy: 22.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -2793.381394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.381394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.961998 (E_RNA)
where:
Base-Base interactions energy: -1989.031
where: short stacking energy: -833.499
Base-Backbone interact. energy: -2.502
local terms energy: -804.428576
where:
bonds (distance) C4'-P energy: -137.288
bonds (distance) P-C4' energy: -143.093
flat angles C4'-P-C4' energy: -171.981
flat angles P-C4'-P energy: -113.996
tors. eta vs tors. theta energy: -238.070
Dist. restrs. and SS energy: 2.581 (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: 341
Temperature: 0.950000
Total energy: -2733.720414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.720414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.378003 (E_RNA)
where:
Base-Base interactions energy: -1917.677
where: short stacking energy: -838.091
Base-Backbone interact. energy: -2.491
local terms energy: -817.209612
where:
bonds (distance) C4'-P energy: -115.658
bonds (distance) P-C4' energy: -153.153
flat angles C4'-P-C4' energy: -171.996
flat angles P-C4'-P energy: -126.527
tors. eta vs tors. theta energy: -249.876
Dist. restrs. and SS energy: 3.658 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -2627.648765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.648765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.146814 (E_RNA)
where:
Base-Base interactions energy: -1835.267
where: short stacking energy: -772.669
Base-Backbone interact. energy: -1.299
local terms energy: -795.581525
where:
bonds (distance) C4'-P energy: -142.812
bonds (distance) P-C4' energy: -131.176
flat angles C4'-P-C4' energy: -157.072
flat angles P-C4'-P energy: -122.592
tors. eta vs tors. theta energy: -241.929
Dist. restrs. and SS energy: 4.498 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -2523.139364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.139364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.974419 (E_RNA)
where:
Base-Base interactions energy: -1774.113
where: short stacking energy: -750.910
Base-Backbone interact. energy: -0.776
local terms energy: -752.084996
where:
bonds (distance) C4'-P energy: -124.357
bonds (distance) P-C4' energy: -143.211
flat angles C4'-P-C4' energy: -163.755
flat angles P-C4'-P energy: -98.815
tors. eta vs tors. theta energy: -221.947
Dist. restrs. and SS energy: 3.835 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -2440.360400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.360400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.973380 (E_RNA)
where:
Base-Base interactions energy: -1717.274
where: short stacking energy: -721.115
Base-Backbone interact. energy: -2.003
local terms energy: -728.696344
where:
bonds (distance) C4'-P energy: -124.573
bonds (distance) P-C4' energy: -135.135
flat angles C4'-P-C4' energy: -158.324
flat angles P-C4'-P energy: -98.527
tors. eta vs tors. theta energy: -212.138
Dist. restrs. and SS energy: 7.613 (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: 341
Temperature: 1.150000
Total energy: -2434.992601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.992601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.833321 (E_RNA)
where:
Base-Base interactions energy: -1707.071
where: short stacking energy: -724.869
Base-Backbone interact. energy: 4.116
local terms energy: -733.878303
where:
bonds (distance) C4'-P energy: -116.060
bonds (distance) P-C4' energy: -142.091
flat angles C4'-P-C4' energy: -148.787
flat angles P-C4'-P energy: -99.980
tors. eta vs tors. theta energy: -226.961
Dist. restrs. and SS energy: 1.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -2268.986947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.986947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.268929 (E_RNA)
where:
Base-Base interactions energy: -1590.537
where: short stacking energy: -669.932
Base-Backbone interact. energy: 1.672
local terms energy: -689.403641
where:
bonds (distance) C4'-P energy: -118.947
bonds (distance) P-C4' energy: -132.376
flat angles C4'-P-C4' energy: -144.915
flat angles P-C4'-P energy: -93.499
tors. eta vs tors. theta energy: -199.667
Dist. restrs. and SS energy: 9.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -2150.481184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.481184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.868333 (E_RNA)
where:
Base-Base interactions energy: -1530.034
where: short stacking energy: -604.002
Base-Backbone interact. energy: 0.936
local terms energy: -634.770023
where:
bonds (distance) C4'-P energy: -101.689
bonds (distance) P-C4' energy: -122.373
flat angles C4'-P-C4' energy: -138.254
flat angles P-C4'-P energy: -99.462
tors. eta vs tors. theta energy: -172.992
Dist. restrs. and SS energy: 13.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -2118.648829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.648829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.272442 (E_RNA)
where:
Base-Base interactions energy: -1497.614
where: short stacking energy: -594.562
Base-Backbone interact. energy: -2.896
local terms energy: -630.762257
where:
bonds (distance) C4'-P energy: -103.279
bonds (distance) P-C4' energy: -117.356
flat angles C4'-P-C4' energy: -156.180
flat angles P-C4'-P energy: -73.188
tors. eta vs tors. theta energy: -180.760
Dist. restrs. and SS energy: 12.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -1995.201527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.201527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.403521 (E_RNA)
where:
Base-Base interactions energy: -1400.179
where: short stacking energy: -555.096
Base-Backbone interact. energy: -0.817
local terms energy: -611.408104
where:
bonds (distance) C4'-P energy: -100.380
bonds (distance) P-C4' energy: -122.257
flat angles C4'-P-C4' energy: -136.687
flat angles P-C4'-P energy: -77.432
tors. eta vs tors. theta energy: -174.652
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: 1, replica: 3
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -2806.253391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.253391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.977139 (E_RNA)
where:
Base-Base interactions energy: -1952.879
where: short stacking energy: -828.018
Base-Backbone interact. energy: -2.803
local terms energy: -855.294980
where:
bonds (distance) C4'-P energy: -150.545
bonds (distance) P-C4' energy: -158.298
flat angles C4'-P-C4' energy: -170.710
flat angles P-C4'-P energy: -124.622
tors. eta vs tors. theta energy: -251.120
Dist. restrs. and SS energy: 4.724 (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: 342
Temperature: 0.950000
Total energy: -2725.261444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2725.261444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.802604 (E_RNA)
where:
Base-Base interactions energy: -1911.631
where: short stacking energy: -792.134
Base-Backbone interact. energy: -2.054
local terms energy: -816.118044
where:
bonds (distance) C4'-P energy: -148.767
bonds (distance) P-C4' energy: -151.856
flat angles C4'-P-C4' energy: -165.414
flat angles P-C4'-P energy: -106.064
tors. eta vs tors. theta energy: -244.017
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: 2
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -2562.201159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.201159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.545535 (E_RNA)
where:
Base-Base interactions energy: -1815.637
where: short stacking energy: -784.162
Base-Backbone interact. energy: -4.574
local terms energy: -748.333748
where:
bonds (distance) C4'-P energy: -133.464
bonds (distance) P-C4' energy: -129.127
flat angles C4'-P-C4' energy: -158.928
flat angles P-C4'-P energy: -93.273
tors. eta vs tors. theta energy: -233.542
Dist. restrs. and SS energy: 6.344 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -2562.896766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.896766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.390106 (E_RNA)
where:
Base-Base interactions energy: -1781.461
where: short stacking energy: -774.423
Base-Backbone interact. energy: -2.523
local terms energy: -782.406715
where:
bonds (distance) C4'-P energy: -133.580
bonds (distance) P-C4' energy: -137.822
flat angles C4'-P-C4' energy: -165.411
flat angles P-C4'-P energy: -108.406
tors. eta vs tors. theta energy: -237.189
Dist. restrs. and SS energy: 3.493 (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: 6
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -2455.601021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.601021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.918890 (E_RNA)
where:
Base-Base interactions energy: -1728.156
where: short stacking energy: -732.934
Base-Backbone interact. energy: -4.419
local terms energy: -729.344433
where:
bonds (distance) C4'-P energy: -135.319
bonds (distance) P-C4' energy: -136.814
flat angles C4'-P-C4' energy: -152.561
flat angles P-C4'-P energy: -97.410
tors. eta vs tors. theta energy: -207.241
Dist. restrs. and SS energy: 6.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -2387.480929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.480929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.570580 (E_RNA)
where:
Base-Base interactions energy: -1689.111
where: short stacking energy: -703.817
Base-Backbone interact. energy: -1.301
local terms energy: -699.158616
where:
bonds (distance) C4'-P energy: -120.376
bonds (distance) P-C4' energy: -118.789
flat angles C4'-P-C4' energy: -144.246
flat angles P-C4'-P energy: -112.338
tors. eta vs tors. theta energy: -203.409
Dist. restrs. and SS energy: 2.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -2302.620566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.620566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.245042 (E_RNA)
where:
Base-Base interactions energy: -1595.841
where: short stacking energy: -675.608
Base-Backbone interact. energy: -0.492
local terms energy: -714.911687
where:
bonds (distance) C4'-P energy: -120.848
bonds (distance) P-C4' energy: -111.598
flat angles C4'-P-C4' energy: -161.891
flat angles P-C4'-P energy: -107.034
tors. eta vs tors. theta energy: -213.539
Dist. restrs. and SS energy: 8.624 (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: 9
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -2166.384712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.384712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.653660 (E_RNA)
where:
Base-Base interactions energy: -1532.574
where: short stacking energy: -639.348
Base-Backbone interact. energy: -3.755
local terms energy: -639.325450
where:
bonds (distance) C4'-P energy: -115.533
bonds (distance) P-C4' energy: -121.412
flat angles C4'-P-C4' energy: -135.430
flat angles P-C4'-P energy: -99.223
tors. eta vs tors. theta energy: -167.728
Dist. restrs. and SS energy: 9.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -2092.292416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.292416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.185268 (E_RNA)
where:
Base-Base interactions energy: -1445.995
where: short stacking energy: -609.053
Base-Backbone interact. energy: -0.854
local terms energy: -656.336362
where:
bonds (distance) C4'-P energy: -132.138
bonds (distance) P-C4' energy: -107.200
flat angles C4'-P-C4' energy: -148.011
flat angles P-C4'-P energy: -92.146
tors. eta vs tors. theta energy: -176.841
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: 10, replica: 7
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -1952.562174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.562174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.344940 (E_RNA)
where:
Base-Base interactions energy: -1390.121
where: short stacking energy: -569.379
Base-Backbone interact. energy: -0.023
local terms energy: -582.201277
where:
bonds (distance) C4'-P energy: -108.754
bonds (distance) P-C4' energy: -113.732
flat angles C4'-P-C4' energy: -110.829
flat angles P-C4'-P energy: -89.438
tors. eta vs tors. theta energy: -159.447
Dist. restrs. and SS energy: 19.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -2809.913155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.913155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.935222 (E_RNA)
where:
Base-Base interactions energy: -1986.030
where: short stacking energy: -800.341
Base-Backbone interact. energy: -5.500
local terms energy: -822.405567
where:
bonds (distance) C4'-P energy: -133.111
bonds (distance) P-C4' energy: -153.718
flat angles C4'-P-C4' energy: -174.955
flat angles P-C4'-P energy: -116.236
tors. eta vs tors. theta energy: -244.386
Dist. restrs. and SS energy: 4.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -2728.734896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.734896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.940636 (E_RNA)
where:
Base-Base interactions energy: -1927.208
where: short stacking energy: -832.320
Base-Backbone interact. energy: -0.600
local terms energy: -806.132242
where:
bonds (distance) C4'-P energy: -146.801
bonds (distance) P-C4' energy: -145.141
flat angles C4'-P-C4' energy: -162.970
flat angles P-C4'-P energy: -101.793
tors. eta vs tors. theta energy: -249.427
Dist. restrs. and SS energy: 5.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -2573.071778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.071778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.237360 (E_RNA)
where:
Base-Base interactions energy: -1797.603
where: short stacking energy: -745.985
Base-Backbone interact. energy: -2.606
local terms energy: -778.028382
where:
bonds (distance) C4'-P energy: -129.543
bonds (distance) P-C4' energy: -146.082
flat angles C4'-P-C4' energy: -170.389
flat angles P-C4'-P energy: -111.655
tors. eta vs tors. theta energy: -220.358
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: 4, replica: 8
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -2577.381414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.381414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.861107 (E_RNA)
where:
Base-Base interactions energy: -1800.804
where: short stacking energy: -766.817
Base-Backbone interact. energy: -0.621
local terms energy: -779.435794
where:
bonds (distance) C4'-P energy: -129.310
bonds (distance) P-C4' energy: -138.108
flat angles C4'-P-C4' energy: -165.226
flat angles P-C4'-P energy: -115.127
tors. eta vs tors. theta energy: -231.665
Dist. restrs. and SS energy: 3.480 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -2454.570731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.570731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.164101 (E_RNA)
where:
Base-Base interactions energy: -1753.776
where: short stacking energy: -730.328
Base-Backbone interact. energy: -3.045
local terms energy: -703.342955
where:
bonds (distance) C4'-P energy: -123.861
bonds (distance) P-C4' energy: -128.425
flat angles C4'-P-C4' energy: -141.109
flat angles P-C4'-P energy: -107.944
tors. eta vs tors. theta energy: -202.005
Dist. restrs. and SS energy: 5.593 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -2389.305075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.305075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.890579 (E_RNA)
where:
Base-Base interactions energy: -1696.460
where: short stacking energy: -729.240
Base-Backbone interact. energy: 1.265
local terms energy: -697.694858
where:
bonds (distance) C4'-P energy: -123.452
bonds (distance) P-C4' energy: -128.803
flat angles C4'-P-C4' energy: -137.608
flat angles P-C4'-P energy: -97.109
tors. eta vs tors. theta energy: -210.723
Dist. restrs. and SS energy: 3.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -2271.843803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.843803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.810394 (E_RNA)
where:
Base-Base interactions energy: -1571.595
where: short stacking energy: -647.000
Base-Backbone interact. energy: 1.975
local terms energy: -710.190082
where:
bonds (distance) C4'-P energy: -140.492
bonds (distance) P-C4' energy: -130.325
flat angles C4'-P-C4' energy: -151.663
flat angles P-C4'-P energy: -92.544
tors. eta vs tors. theta energy: -195.167
Dist. restrs. and SS energy: 7.967 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -2145.180494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.180494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.741244 (E_RNA)
where:
Base-Base interactions energy: -1506.993
where: short stacking energy: -631.609
Base-Backbone interact. energy: -3.928
local terms energy: -650.820251
where:
bonds (distance) C4'-P energy: -120.669
bonds (distance) P-C4' energy: -119.901
flat angles C4'-P-C4' energy: -150.780
flat angles P-C4'-P energy: -81.382
tors. eta vs tors. theta energy: -178.088
Dist. restrs. and SS energy: 16.561 (S_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: 343
Temperature: 1.300000
Total energy: -2092.681547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.681547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.304126 (E_RNA)
where:
Base-Base interactions energy: -1460.356
where: short stacking energy: -613.574
Base-Backbone interact. energy: -3.490
local terms energy: -643.458562
where:
bonds (distance) C4'-P energy: -115.259
bonds (distance) P-C4' energy: -119.734
flat angles C4'-P-C4' energy: -149.400
flat angles P-C4'-P energy: -85.927
tors. eta vs tors. theta energy: -173.139
Dist. restrs. and SS energy: 14.623 (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: 7
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -1964.791096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.791096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.003342 (E_RNA)
where:
Base-Base interactions energy: -1358.185
where: short stacking energy: -578.110
Base-Backbone interact. energy: -3.504
local terms energy: -619.313703
where:
bonds (distance) C4'-P energy: -111.807
bonds (distance) P-C4' energy: -114.673
flat angles C4'-P-C4' energy: -144.677
flat angles P-C4'-P energy: -65.454
tors. eta vs tors. theta energy: -182.703
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: 1, replica: 3
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -2815.242523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2815.242523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2820.493022 (E_RNA)
where:
Base-Base interactions energy: -1975.538
where: short stacking energy: -824.025
Base-Backbone interact. energy: -4.947
local terms energy: -840.007940
where:
bonds (distance) C4'-P energy: -139.417
bonds (distance) P-C4' energy: -151.300
flat angles C4'-P-C4' energy: -184.895
flat angles P-C4'-P energy: -112.218
tors. eta vs tors. theta energy: -252.178
Dist. restrs. and SS energy: 5.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -2773.811066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2773.811066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.328629 (E_RNA)
where:
Base-Base interactions energy: -1943.266
where: short stacking energy: -824.792
Base-Backbone interact. energy: -1.032
local terms energy: -835.030460
where:
bonds (distance) C4'-P energy: -153.917
bonds (distance) P-C4' energy: -149.914
flat angles C4'-P-C4' energy: -175.439
flat angles P-C4'-P energy: -107.996
tors. eta vs tors. theta energy: -247.765
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: 344
Temperature: 1.000000
Total energy: -2637.726544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.726544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.204496 (E_RNA)
where:
Base-Base interactions energy: -1855.239
where: short stacking energy: -807.308
Base-Backbone interact. energy: -0.425
local terms energy: -786.541027
where:
bonds (distance) C4'-P energy: -142.438
bonds (distance) P-C4' energy: -120.434
flat angles C4'-P-C4' energy: -165.856
flat angles P-C4'-P energy: -116.674
tors. eta vs tors. theta energy: -241.139
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: 2
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -2519.229339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.229339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.438333 (E_RNA)
where:
Base-Base interactions energy: -1758.680
where: short stacking energy: -727.841
Base-Backbone interact. energy: -4.222
local terms energy: -762.536204
where:
bonds (distance) C4'-P energy: -139.763
bonds (distance) P-C4' energy: -142.238
flat angles C4'-P-C4' energy: -156.977
flat angles P-C4'-P energy: -108.287
tors. eta vs tors. theta energy: -215.270
Dist. restrs. and SS energy: 6.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -2420.621312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.621312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.466780 (E_RNA)
where:
Base-Base interactions energy: -1700.056
where: short stacking energy: -718.356
Base-Backbone interact. energy: 1.653
local terms energy: -730.063780
where:
bonds (distance) C4'-P energy: -129.427
bonds (distance) P-C4' energy: -120.203
flat angles C4'-P-C4' energy: -168.869
flat angles P-C4'-P energy: -94.520
tors. eta vs tors. theta energy: -217.044
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: 6, replica: 5
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -2380.860516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.860516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.516705 (E_RNA)
where:
Base-Base interactions energy: -1660.681
where: short stacking energy: -720.113
Base-Backbone interact. energy: -2.242
local terms energy: -722.593647
where:
bonds (distance) C4'-P energy: -118.383
bonds (distance) P-C4' energy: -126.984
flat angles C4'-P-C4' energy: -157.721
flat angles P-C4'-P energy: -88.819
tors. eta vs tors. theta energy: -230.686
Dist. restrs. and SS energy: 4.656 (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: 344
Temperature: 1.200000
Total energy: -2271.937541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.937541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.254795 (E_RNA)
where:
Base-Base interactions energy: -1594.234
where: short stacking energy: -659.842
Base-Backbone interact. energy: -0.382
local terms energy: -683.639713
where:
bonds (distance) C4'-P energy: -120.837
bonds (distance) P-C4' energy: -114.367
flat angles C4'-P-C4' energy: -145.047
flat angles P-C4'-P energy: -90.734
tors. eta vs tors. theta energy: -212.656
Dist. restrs. and SS energy: 6.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -2194.511001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.511001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.125544 (E_RNA)
where:
Base-Base interactions energy: -1548.904
where: short stacking energy: -631.006
Base-Backbone interact. energy: -3.540
local terms energy: -649.681944
where:
bonds (distance) C4'-P energy: -122.267
bonds (distance) P-C4' energy: -127.670
flat angles C4'-P-C4' energy: -131.641
flat angles P-C4'-P energy: -88.342
tors. eta vs tors. theta energy: -179.762
Dist. restrs. and SS energy: 7.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -2099.021919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.021919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.170911 (E_RNA)
where:
Base-Base interactions energy: -1485.743
where: short stacking energy: -600.235
Base-Backbone interact. energy: -3.871
local terms energy: -621.557140
where:
bonds (distance) C4'-P energy: -120.244
bonds (distance) P-C4' energy: -122.373
flat angles C4'-P-C4' energy: -132.936
flat angles P-C4'-P energy: -77.161
tors. eta vs tors. theta energy: -168.843
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: 10, replica: 7
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -1959.141206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.141206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.740624 (E_RNA)
where:
Base-Base interactions energy: -1387.592
where: short stacking energy: -580.967
Base-Backbone interact. energy: -1.997
local terms energy: -585.151896
where:
bonds (distance) C4'-P energy: -101.560
bonds (distance) P-C4' energy: -104.213
flat angles C4'-P-C4' energy: -129.786
flat angles P-C4'-P energy: -88.554
tors. eta vs tors. theta energy: -161.039
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: 1, replica: 3
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -2805.620802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.620802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.231313 (E_RNA)
where:
Base-Base interactions energy: -1976.553
where: short stacking energy: -816.967
Base-Backbone interact. energy: -2.169
local terms energy: -829.509753
where:
bonds (distance) C4'-P energy: -145.740
bonds (distance) P-C4' energy: -148.742
flat angles C4'-P-C4' energy: -169.106
flat angles P-C4'-P energy: -112.364
tors. eta vs tors. theta energy: -253.559
Dist. restrs. and SS energy: 2.611 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -2727.979927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.979927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.164778 (E_RNA)
where:
Base-Base interactions energy: -1918.466
where: short stacking energy: -823.629
Base-Backbone interact. energy: -2.311
local terms energy: -810.387770
where:
bonds (distance) C4'-P energy: -148.236
bonds (distance) P-C4' energy: -143.774
flat angles C4'-P-C4' energy: -165.043
flat angles P-C4'-P energy: -108.835
tors. eta vs tors. theta energy: -244.499
Dist. restrs. and SS energy: 3.185 (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: 8
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -2614.590432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.590432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.243097 (E_RNA)
where:
Base-Base interactions energy: -1804.836
where: short stacking energy: -771.460
Base-Backbone interact. energy: 4.292
local terms energy: -817.699530
where:
bonds (distance) C4'-P energy: -152.299
bonds (distance) P-C4' energy: -135.850
flat angles C4'-P-C4' energy: -172.636
flat angles P-C4'-P energy: -114.930
tors. eta vs tors. theta energy: -241.984
Dist. restrs. and SS energy: 3.653 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -2522.038419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.038419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.095075 (E_RNA)
where:
Base-Base interactions energy: -1765.479
where: short stacking energy: -766.776
Base-Backbone interact. energy: -3.267
local terms energy: -761.348870
where:
bonds (distance) C4'-P energy: -143.698
bonds (distance) P-C4' energy: -140.966
flat angles C4'-P-C4' energy: -152.391
flat angles P-C4'-P energy: -100.721
tors. eta vs tors. theta energy: -223.572
Dist. restrs. and SS energy: 8.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -2417.950625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.950625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.602529 (E_RNA)
where:
Base-Base interactions energy: -1698.423
where: short stacking energy: -686.754
Base-Backbone interact. energy: -2.524
local terms energy: -726.656304
where:
bonds (distance) C4'-P energy: -136.856
bonds (distance) P-C4' energy: -124.711
flat angles C4'-P-C4' energy: -154.075
flat angles P-C4'-P energy: -96.758
tors. eta vs tors. theta energy: -214.256
Dist. restrs. and SS energy: 9.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -2368.807630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.807630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.969895 (E_RNA)
where:
Base-Base interactions energy: -1646.343
where: short stacking energy: -678.166
Base-Backbone interact. energy: -3.980
local terms energy: -723.647268
where:
bonds (distance) C4'-P energy: -122.342
bonds (distance) P-C4' energy: -134.157
flat angles C4'-P-C4' energy: -149.213
flat angles P-C4'-P energy: -98.074
tors. eta vs tors. theta energy: -219.862
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: 7, replica: 1
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -2280.658998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.658998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.142865 (E_RNA)
where:
Base-Base interactions energy: -1588.423
where: short stacking energy: -631.273
Base-Backbone interact. energy: 0.011
local terms energy: -702.731233
where:
bonds (distance) C4'-P energy: -119.511
bonds (distance) P-C4' energy: -138.955
flat angles C4'-P-C4' energy: -161.039
flat angles P-C4'-P energy: -95.852
tors. eta vs tors. theta energy: -187.375
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: 8, replica: 4
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -2230.451210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.451210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.877175 (E_RNA)
where:
Base-Base interactions energy: -1573.946
where: short stacking energy: -655.939
Base-Backbone interact. energy: -1.199
local terms energy: -664.732516
where:
bonds (distance) C4'-P energy: -125.954
bonds (distance) P-C4' energy: -117.029
flat angles C4'-P-C4' energy: -138.522
flat angles P-C4'-P energy: -98.082
tors. eta vs tors. theta energy: -185.146
Dist. restrs. and SS energy: 9.426 (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: 9
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -2143.584453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.584453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.308369 (E_RNA)
where:
Base-Base interactions energy: -1531.757
where: short stacking energy: -625.299
Base-Backbone interact. energy: -0.238
local terms energy: -620.313333
where:
bonds (distance) C4'-P energy: -102.943
bonds (distance) P-C4' energy: -111.961
flat angles C4'-P-C4' energy: -146.034
flat angles P-C4'-P energy: -86.230
tors. eta vs tors. theta energy: -173.145
Dist. restrs. and SS energy: 8.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -1965.357593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.357593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.730267 (E_RNA)
where:
Base-Base interactions energy: -1370.791
where: short stacking energy: -588.560
Base-Backbone interact. energy: -1.949
local terms energy: -617.990137
where:
bonds (distance) C4'-P energy: -115.265
bonds (distance) P-C4' energy: -128.893
flat angles C4'-P-C4' energy: -138.759
flat angles P-C4'-P energy: -72.469
tors. eta vs tors. theta energy: -162.606
Dist. restrs. and SS energy: 25.373 (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: 3
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -2812.868116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.868116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.060132 (E_RNA)
where:
Base-Base interactions energy: -1944.903
where: short stacking energy: -798.038
Base-Backbone interact. energy: -2.947
local terms energy: -869.210362
where:
bonds (distance) C4'-P energy: -155.581
bonds (distance) P-C4' energy: -153.460
flat angles C4'-P-C4' energy: -179.029
flat angles P-C4'-P energy: -127.881
tors. eta vs tors. theta energy: -253.259
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: 2, replica: 10
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -2727.412909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.412909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.338121 (E_RNA)
where:
Base-Base interactions energy: -1935.466
where: short stacking energy: -819.835
Base-Backbone interact. energy: -2.074
local terms energy: -794.797245
where:
bonds (distance) C4'-P energy: -133.874
bonds (distance) P-C4' energy: -134.480
flat angles C4'-P-C4' energy: -172.213
flat angles P-C4'-P energy: -115.229
tors. eta vs tors. theta energy: -239.002
Dist. restrs. and SS energy: 4.925 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -2601.254988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.254988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.530711 (E_RNA)
where:
Base-Base interactions energy: -1827.486
where: short stacking energy: -772.865
Base-Backbone interact. energy: -2.412
local terms energy: -774.632963
where:
bonds (distance) C4'-P energy: -139.829
bonds (distance) P-C4' energy: -132.616
flat angles C4'-P-C4' energy: -162.777
flat angles P-C4'-P energy: -110.966
tors. eta vs tors. theta energy: -228.445
Dist. restrs. and SS energy: 3.276 (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: 2
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -2514.026119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.026119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.100546 (E_RNA)
where:
Base-Base interactions energy: -1772.240
where: short stacking energy: -767.996
Base-Backbone interact. energy: -1.362
local terms energy: -743.498594
where:
bonds (distance) C4'-P energy: -128.898
bonds (distance) P-C4' energy: -130.490
flat angles C4'-P-C4' energy: -151.938
flat angles P-C4'-P energy: -103.377
tors. eta vs tors. theta energy: -228.796
Dist. restrs. and SS energy: 3.074 (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: 346
Temperature: 1.100000
Total energy: -2415.458209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.458209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.668120 (E_RNA)
where:
Base-Base interactions energy: -1727.368
where: short stacking energy: -722.019
Base-Backbone interact. energy: -1.573
local terms energy: -691.726902
where:
bonds (distance) C4'-P energy: -111.279
bonds (distance) P-C4' energy: -106.972
flat angles C4'-P-C4' energy: -152.679
flat angles P-C4'-P energy: -106.740
tors. eta vs tors. theta energy: -214.056
Dist. restrs. and SS energy: 5.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -2376.905821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.905821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.343455 (E_RNA)
where:
Base-Base interactions energy: -1659.646
where: short stacking energy: -697.886
Base-Backbone interact. energy: -3.132
local terms energy: -719.565296
where:
bonds (distance) C4'-P energy: -111.364
bonds (distance) P-C4' energy: -129.442
flat angles C4'-P-C4' energy: -166.772
flat angles P-C4'-P energy: -90.981
tors. eta vs tors. theta energy: -221.006
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: 1
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -2241.213427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.213427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.650804 (E_RNA)
where:
Base-Base interactions energy: -1561.615
where: short stacking energy: -648.140
Base-Backbone interact. energy: -2.909
local terms energy: -686.126323
where:
bonds (distance) C4'-P energy: -114.293
bonds (distance) P-C4' energy: -138.880
flat angles C4'-P-C4' energy: -154.359
flat angles P-C4'-P energy: -91.606
tors. eta vs tors. theta energy: -186.989
Dist. restrs. and SS energy: 9.437 (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: 4
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -2208.979289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.979289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.680836 (E_RNA)
where:
Base-Base interactions energy: -1531.569
where: short stacking energy: -645.676
Base-Backbone interact. energy: -1.478
local terms energy: -687.633784
where:
bonds (distance) C4'-P energy: -117.162
bonds (distance) P-C4' energy: -139.336
flat angles C4'-P-C4' energy: -150.753
flat angles P-C4'-P energy: -100.443
tors. eta vs tors. theta energy: -179.939
Dist. restrs. and SS energy: 11.702 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -2141.721453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.721453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.930225 (E_RNA)
where:
Base-Base interactions energy: -1541.388
where: short stacking energy: -628.745
Base-Backbone interact. energy: 2.639
local terms energy: -613.181515
where:
bonds (distance) C4'-P energy: -98.395
bonds (distance) P-C4' energy: -106.791
flat angles C4'-P-C4' energy: -151.408
flat angles P-C4'-P energy: -74.088
tors. eta vs tors. theta energy: -182.499
Dist. restrs. and SS energy: 10.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -1982.047358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.047358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.455696 (E_RNA)
where:
Base-Base interactions energy: -1420.004
where: short stacking energy: -596.461
Base-Backbone interact. energy: 0.424
local terms energy: -578.875641
where:
bonds (distance) C4'-P energy: -111.152
bonds (distance) P-C4' energy: -107.144
flat angles C4'-P-C4' energy: -124.128
flat angles P-C4'-P energy: -67.353
tors. eta vs tors. theta energy: -169.099
Dist. restrs. and SS energy: 16.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -2796.654740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.654740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.821001 (E_RNA)
where:
Base-Base interactions energy: -1975.771
where: short stacking energy: -818.363
Base-Backbone interact. energy: 0.444
local terms energy: -824.493758
where:
bonds (distance) C4'-P energy: -125.915
bonds (distance) P-C4' energy: -160.028
flat angles C4'-P-C4' energy: -168.941
flat angles P-C4'-P energy: -125.439
tors. eta vs tors. theta energy: -244.171
Dist. restrs. and SS energy: 3.166 (S_DIST_RNA)
chem. 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: -2717.446518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.446518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.875508 (E_RNA)
where:
Base-Base interactions energy: -1906.956
where: short stacking energy: -799.550
Base-Backbone interact. energy: -3.390
local terms energy: -810.530420
where:
bonds (distance) C4'-P energy: -141.501
bonds (distance) P-C4' energy: -150.512
flat angles C4'-P-C4' energy: -166.533
flat angles P-C4'-P energy: -105.390
tors. eta vs tors. theta energy: -246.594
Dist. restrs. and SS energy: 3.429 (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: 8
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -2607.534195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.534195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.296002 (E_RNA)
where:
Base-Base interactions energy: -1829.933
where: short stacking energy: -798.503
Base-Backbone interact. energy: -4.002
local terms energy: -776.361771
where:
bonds (distance) C4'-P energy: -136.704
bonds (distance) P-C4' energy: -149.899
flat angles C4'-P-C4' energy: -154.852
flat angles P-C4'-P energy: -98.525
tors. eta vs tors. theta energy: -236.381
Dist. restrs. and SS energy: 2.762 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -2540.881774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.881774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.689831 (E_RNA)
where:
Base-Base interactions energy: -1774.947
where: short stacking energy: -771.702
Base-Backbone interact. energy: 4.237
local terms energy: -774.979448
where:
bonds (distance) C4'-P energy: -134.881
bonds (distance) P-C4' energy: -120.642
flat angles C4'-P-C4' energy: -164.745
flat angles P-C4'-P energy: -116.305
tors. eta vs tors. theta energy: -238.407
Dist. restrs. and SS energy: 4.808 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -2450.536682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.536682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.675455 (E_RNA)
where:
Base-Base interactions energy: -1739.186
where: short stacking energy: -722.113
Base-Backbone interact. energy: -0.485
local terms energy: -714.005224
where:
bonds (distance) C4'-P energy: -120.111
bonds (distance) P-C4' energy: -141.123
flat angles C4'-P-C4' energy: -148.584
flat angles P-C4'-P energy: -95.445
tors. eta vs tors. theta energy: -208.741
Dist. restrs. and SS energy: 3.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -2415.273536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.273536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.976242 (E_RNA)
where:
Base-Base interactions energy: -1715.907
where: short stacking energy: -729.983
Base-Backbone interact. energy: 3.388
local terms energy: -708.457060
where:
bonds (distance) C4'-P energy: -128.209
bonds (distance) P-C4' energy: -109.636
flat angles C4'-P-C4' energy: -149.624
flat angles P-C4'-P energy: -107.397
tors. eta vs tors. theta energy: -213.590
Dist. restrs. and SS energy: 5.703 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -2245.639607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.639607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.242085 (E_RNA)
where:
Base-Base interactions energy: -1575.754
where: short stacking energy: -641.966
Base-Backbone interact. energy: -2.859
local terms energy: -674.629453
where:
bonds (distance) C4'-P energy: -127.634
bonds (distance) P-C4' energy: -130.303
flat angles C4'-P-C4' energy: -147.261
flat angles P-C4'-P energy: -82.986
tors. eta vs tors. theta energy: -186.445
Dist. restrs. and SS energy: 7.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -2164.160947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.160947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.929339 (E_RNA)
where:
Base-Base interactions energy: -1537.083
where: short stacking energy: -651.713
Base-Backbone interact. energy: -1.370
local terms energy: -635.476360
where:
bonds (distance) C4'-P energy: -124.190
bonds (distance) P-C4' energy: -117.467
flat angles C4'-P-C4' energy: -131.015
flat angles P-C4'-P energy: -88.680
tors. eta vs tors. theta energy: -174.124
Dist. restrs. and SS energy: 9.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -2107.544209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.544209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.988680 (E_RNA)
where:
Base-Base interactions energy: -1458.706
where: short stacking energy: -617.068
Base-Backbone interact. energy: 0.825
local terms energy: -666.107733
where:
bonds (distance) C4'-P energy: -123.941
bonds (distance) P-C4' energy: -127.282
flat angles C4'-P-C4' energy: -132.663
flat angles P-C4'-P energy: -89.505
tors. eta vs tors. theta energy: -192.716
Dist. restrs. and SS energy: 16.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -1987.210773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.210773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.660262 (E_RNA)
where:
Base-Base interactions energy: -1401.547
where: short stacking energy: -604.715
Base-Backbone interact. energy: 1.431
local terms energy: -605.543991
where:
bonds (distance) C4'-P energy: -104.240
bonds (distance) P-C4' energy: -114.923
flat angles C4'-P-C4' energy: -128.651
flat angles P-C4'-P energy: -88.294
tors. eta vs tors. theta energy: -169.436
Dist. restrs. and SS energy: 18.449 (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: 3
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -2789.065685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2789.065685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.281373 (E_RNA)
where:
Base-Base interactions energy: -1956.837
where: short stacking energy: -817.659
Base-Backbone interact. energy: -3.577
local terms energy: -831.867033
where:
bonds (distance) C4'-P energy: -149.008
bonds (distance) P-C4' energy: -141.253
flat angles C4'-P-C4' energy: -173.153
flat angles P-C4'-P energy: -123.176
tors. eta vs tors. theta energy: -245.278
Dist. restrs. and SS energy: 3.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -2713.134318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.134318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.402034 (E_RNA)
where:
Base-Base interactions energy: -1910.934
where: short stacking energy: -815.454
Base-Backbone interact. energy: 0.776
local terms energy: -807.244245
where:
bonds (distance) C4'-P energy: -135.251
bonds (distance) P-C4' energy: -139.476
flat angles C4'-P-C4' energy: -156.246
flat angles P-C4'-P energy: -120.082
tors. eta vs tors. theta energy: -256.189
Dist. restrs. and SS energy: 4.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -2621.511220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.511220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.898620 (E_RNA)
where:
Base-Base interactions energy: -1810.775
where: short stacking energy: -765.962
Base-Backbone interact. energy: -1.146
local terms energy: -812.978028
where:
bonds (distance) C4'-P energy: -143.785
bonds (distance) P-C4' energy: -143.548
flat angles C4'-P-C4' energy: -170.415
flat angles P-C4'-P energy: -125.259
tors. eta vs tors. theta energy: -229.972
Dist. restrs. and SS energy: 3.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -2524.963405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.963405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.049168 (E_RNA)
where:
Base-Base interactions energy: -1784.112
where: short stacking energy: -771.279
Base-Backbone interact. energy: -2.242
local terms energy: -744.694926
where:
bonds (distance) C4'-P energy: -128.534
bonds (distance) P-C4' energy: -126.742
flat angles C4'-P-C4' energy: -156.715
flat angles P-C4'-P energy: -115.222
tors. eta vs tors. theta energy: -217.481
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: 5, replica: 5
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -2443.543591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.543591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.159016 (E_RNA)
where:
Base-Base interactions energy: -1717.888
where: short stacking energy: -732.386
Base-Backbone interact. energy: -1.055
local terms energy: -730.216856
where:
bonds (distance) C4'-P energy: -131.047
bonds (distance) P-C4' energy: -128.923
flat angles C4'-P-C4' energy: -161.680
flat angles P-C4'-P energy: -93.419
tors. eta vs tors. theta energy: -215.149
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: 6
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -2364.121583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.121583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.318732 (E_RNA)
where:
Base-Base interactions energy: -1669.097
where: short stacking energy: -686.783
Base-Backbone interact. energy: 1.977
local terms energy: -702.198485
where:
bonds (distance) C4'-P energy: -116.187
bonds (distance) P-C4' energy: -143.152
flat angles C4'-P-C4' energy: -145.482
flat angles P-C4'-P energy: -84.963
tors. eta vs tors. theta energy: -212.415
Dist. restrs. and SS energy: 5.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -2222.219841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.219841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.580459 (E_RNA)
where:
Base-Base interactions energy: -1581.068
where: short stacking energy: -653.466
Base-Backbone interact. energy: 1.774
local terms energy: -651.286615
where:
bonds (distance) C4'-P energy: -113.321
bonds (distance) P-C4' energy: -122.875
flat angles C4'-P-C4' energy: -135.240
flat angles P-C4'-P energy: -91.644
tors. eta vs tors. theta energy: -188.206
Dist. restrs. and SS energy: 8.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -2184.875660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.875660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.484039 (E_RNA)
where:
Base-Base interactions energy: -1527.947
where: short stacking energy: -636.868
Base-Backbone interact. energy: -5.331
local terms energy: -661.206049
where:
bonds (distance) C4'-P energy: -136.331
bonds (distance) P-C4' energy: -127.956
flat angles C4'-P-C4' energy: -133.161
flat angles P-C4'-P energy: -80.232
tors. eta vs tors. theta energy: -183.527
Dist. restrs. and SS energy: 9.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -2012.923767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.923767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.632580 (E_RNA)
where:
Base-Base interactions energy: -1427.556
where: short stacking energy: -590.840
Base-Backbone interact. energy: -3.256
local terms energy: -604.820316
where:
bonds (distance) C4'-P energy: -98.171
bonds (distance) P-C4' energy: -117.500
flat angles C4'-P-C4' energy: -142.552
flat angles P-C4'-P energy: -76.760
tors. eta vs tors. theta energy: -169.838
Dist. restrs. and SS energy: 22.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -2038.435823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.435823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.582500 (E_RNA)
where:
Base-Base interactions energy: -1418.962
where: short stacking energy: -622.579
Base-Backbone interact. energy: -1.209
local terms energy: -630.410934
where:
bonds (distance) C4'-P energy: -111.374
bonds (distance) P-C4' energy: -128.039
flat angles C4'-P-C4' energy: -141.757
flat angles P-C4'-P energy: -70.959
tors. eta vs tors. theta energy: -178.281
Dist. restrs. and SS energy: 12.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -2785.357656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.357656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.299708 (E_RNA)
where:
Base-Base interactions energy: -1974.180
where: short stacking energy: -836.990
Base-Backbone interact. energy: -1.712
local terms energy: -812.406818
where:
bonds (distance) C4'-P energy: -143.871
bonds (distance) P-C4' energy: -142.664
flat angles C4'-P-C4' energy: -164.524
flat angles P-C4'-P energy: -117.487
tors. eta vs tors. theta energy: -243.859
Dist. restrs. and SS energy: 2.942 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -2696.021589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.021589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.576134 (E_RNA)
where:
Base-Base interactions energy: -1894.021
where: short stacking energy: -795.081
Base-Backbone interact. energy: -1.609
local terms energy: -805.946331
where:
bonds (distance) C4'-P energy: -142.972
bonds (distance) P-C4' energy: -140.339
flat angles C4'-P-C4' energy: -168.173
flat angles P-C4'-P energy: -112.467
tors. eta vs tors. theta energy: -241.995
Dist. restrs. and SS energy: 5.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -2614.672992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.672992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.502478 (E_RNA)
where:
Base-Base interactions energy: -1835.479
where: short stacking energy: -774.086
Base-Backbone interact. energy: -2.000
local terms energy: -781.023203
where:
bonds (distance) C4'-P energy: -130.310
bonds (distance) P-C4' energy: -146.511
flat angles C4'-P-C4' energy: -162.452
flat angles P-C4'-P energy: -100.288
tors. eta vs tors. theta energy: -241.463
Dist. restrs. and SS energy: 3.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -2550.146644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.146644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.522978 (E_RNA)
where:
Base-Base interactions energy: -1783.678
where: short stacking energy: -744.643
Base-Backbone interact. energy: -0.992
local terms energy: -772.852497
where:
bonds (distance) C4'-P energy: -142.804
bonds (distance) P-C4' energy: -132.822
flat angles C4'-P-C4' energy: -156.336
flat angles P-C4'-P energy: -105.624
tors. eta vs tors. theta energy: -235.266
Dist. restrs. and SS energy: 7.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -2424.669451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.669451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.478195 (E_RNA)
where:
Base-Base interactions energy: -1693.910
where: short stacking energy: -717.476
Base-Backbone interact. energy: -1.282
local terms energy: -734.286042
where:
bonds (distance) C4'-P energy: -140.300
bonds (distance) P-C4' energy: -135.140
flat angles C4'-P-C4' energy: -144.748
flat angles P-C4'-P energy: -112.200
tors. eta vs tors. theta energy: -201.897
Dist. restrs. and SS energy: 4.809 (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: 6
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -2347.198340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.198340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.200965 (E_RNA)
where:
Base-Base interactions energy: -1638.939
where: short stacking energy: -699.719
Base-Backbone interact. energy: -2.665
local terms energy: -716.596576
where:
bonds (distance) C4'-P energy: -128.508
bonds (distance) P-C4' energy: -131.812
flat angles C4'-P-C4' energy: -140.024
flat angles P-C4'-P energy: -111.536
tors. eta vs tors. theta energy: -204.716
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: 7, replica: 1
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -2269.860696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.860696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.509496 (E_RNA)
where:
Base-Base interactions energy: -1595.963
where: short stacking energy: -670.454
Base-Backbone interact. energy: -1.009
local terms energy: -677.537904
where:
bonds (distance) C4'-P energy: -118.158
bonds (distance) P-C4' energy: -118.135
flat angles C4'-P-C4' energy: -146.885
flat angles P-C4'-P energy: -103.149
tors. eta vs tors. theta energy: -191.211
Dist. restrs. and SS energy: 4.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -2242.409105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.409105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.067302 (E_RNA)
where:
Base-Base interactions energy: -1575.195
where: short stacking energy: -645.149
Base-Backbone interact. energy: -1.035
local terms energy: -679.837760
where:
bonds (distance) C4'-P energy: -122.004
bonds (distance) P-C4' energy: -139.328
flat angles C4'-P-C4' energy: -139.589
flat angles P-C4'-P energy: -86.792
tors. eta vs tors. theta energy: -192.125
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: 7
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -2073.730307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.730307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.959624 (E_RNA)
where:
Base-Base interactions energy: -1475.476
where: short stacking energy: -611.646
Base-Backbone interact. energy: -2.199
local terms energy: -616.284939
where:
bonds (distance) C4'-P energy: -117.108
bonds (distance) P-C4' energy: -107.945
flat angles C4'-P-C4' energy: -145.906
flat angles P-C4'-P energy: -83.648
tors. eta vs tors. theta energy: -161.677
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: 10, replica: 9
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -1966.514050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.514050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.798243 (E_RNA)
where:
Base-Base interactions energy: -1393.897
where: short stacking energy: -566.701
Base-Backbone interact. energy: 1.046
local terms energy: -586.947276
where:
bonds (distance) C4'-P energy: -105.738
bonds (distance) P-C4' energy: -115.673
flat angles C4'-P-C4' energy: -130.119
flat angles P-C4'-P energy: -80.508
tors. eta vs tors. theta energy: -154.909
Dist. restrs. and SS energy: 13.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -2798.104554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.104554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.820565 (E_RNA)
where:
Base-Base interactions energy: -1969.454
where: short stacking energy: -824.525
Base-Backbone interact. energy: -5.713
local terms energy: -825.652974
where:
bonds (distance) C4'-P energy: -142.171
bonds (distance) P-C4' energy: -134.044
flat angles C4'-P-C4' energy: -182.961
flat angles P-C4'-P energy: -117.607
tors. eta vs tors. theta energy: -248.870
Dist. restrs. and SS energy: 2.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -2713.084092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.084092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.169154 (E_RNA)
where:
Base-Base interactions energy: -1898.347
where: short stacking energy: -788.834
Base-Backbone interact. energy: -1.109
local terms energy: -817.713352
where:
bonds (distance) C4'-P energy: -133.725
bonds (distance) P-C4' energy: -147.737
flat angles C4'-P-C4' energy: -167.974
flat angles P-C4'-P energy: -124.621
tors. eta vs tors. theta energy: -243.657
Dist. restrs. and SS energy: 4.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -2610.674560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.674560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.776181 (E_RNA)
where:
Base-Base interactions energy: -1820.604
where: short stacking energy: -779.277
Base-Backbone interact. energy: -2.503
local terms energy: -792.668968
where:
bonds (distance) C4'-P energy: -126.884
bonds (distance) P-C4' energy: -138.628
flat angles C4'-P-C4' energy: -162.681
flat angles P-C4'-P energy: -124.325
tors. eta vs tors. theta energy: -240.151
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: 4, replica: 8
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -2591.609349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.609349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.769583 (E_RNA)
where:
Base-Base interactions energy: -1808.047
where: short stacking energy: -775.706
Base-Backbone interact. energy: -4.411
local terms energy: -784.311581
where:
bonds (distance) C4'-P energy: -133.961
bonds (distance) P-C4' energy: -139.753
flat angles C4'-P-C4' energy: -157.017
flat angles P-C4'-P energy: -114.627
tors. eta vs tors. theta energy: -238.954
Dist. restrs. and SS energy: 5.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -2413.359653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.359653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.472220 (E_RNA)
where:
Base-Base interactions energy: -1716.460
where: short stacking energy: -707.214
Base-Backbone interact. energy: 1.256
local terms energy: -707.267726
where:
bonds (distance) C4'-P energy: -120.384
bonds (distance) P-C4' energy: -141.848
flat angles C4'-P-C4' energy: -141.256
flat angles P-C4'-P energy: -101.166
tors. eta vs tors. theta energy: -202.613
Dist. restrs. and SS energy: 9.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -2401.773547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.773547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.207045 (E_RNA)
where:
Base-Base interactions energy: -1695.499
where: short stacking energy: -682.096
Base-Backbone interact. energy: -3.974
local terms energy: -707.733260
where:
bonds (distance) C4'-P energy: -118.326
bonds (distance) P-C4' energy: -116.630
flat angles C4'-P-C4' energy: -154.294
flat angles P-C4'-P energy: -113.283
tors. eta vs tors. theta energy: -205.200
Dist. restrs. and SS energy: 5.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -2252.061495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.061495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.563591 (E_RNA)
where:
Base-Base interactions energy: -1623.037
where: short stacking energy: -686.389
Base-Backbone interact. energy: -1.657
local terms energy: -636.869630
where:
bonds (distance) C4'-P energy: -90.757
bonds (distance) P-C4' energy: -125.294
flat angles C4'-P-C4' energy: -138.928
flat angles P-C4'-P energy: -89.946
tors. eta vs tors. theta energy: -191.944
Dist. restrs. and SS energy: 9.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -2193.445802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.445802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.758742 (E_RNA)
where:
Base-Base interactions energy: -1522.864
where: short stacking energy: -623.543
Base-Backbone interact. energy: -3.692
local terms energy: -678.202538
where:
bonds (distance) C4'-P energy: -106.012
bonds (distance) P-C4' energy: -124.283
flat angles C4'-P-C4' energy: -147.174
flat angles P-C4'-P energy: -117.934
tors. eta vs tors. theta energy: -182.799
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: 9
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -2091.152755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.152755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.933905 (E_RNA)
where:
Base-Base interactions energy: -1463.002
where: short stacking energy: -622.208
Base-Backbone interact. energy: -1.713
local terms energy: -639.218737
where:
bonds (distance) C4'-P energy: -107.244
bonds (distance) P-C4' energy: -122.674
flat angles C4'-P-C4' energy: -136.062
flat angles P-C4'-P energy: -90.519
tors. eta vs tors. theta energy: -182.719
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: 10, replica: 7
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -1977.114533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.114533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.571520 (E_RNA)
where:
Base-Base interactions energy: -1415.436
where: short stacking energy: -580.534
Base-Backbone interact. energy: 6.674
local terms energy: -581.809239
where:
bonds (distance) C4'-P energy: -106.571
bonds (distance) P-C4' energy: -90.994
flat angles C4'-P-C4' energy: -137.075
flat angles P-C4'-P energy: -86.216
tors. eta vs tors. theta energy: -160.953
Dist. restrs. and SS energy: 13.457 (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: 3
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -2792.818147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2792.818147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.115517 (E_RNA)
where:
Base-Base interactions energy: -1954.738
where: short stacking energy: -800.910
Base-Backbone interact. energy: 2.663
local terms energy: -843.040595
where:
bonds (distance) C4'-P energy: -152.471
bonds (distance) P-C4' energy: -148.102
flat angles C4'-P-C4' energy: -185.243
flat angles P-C4'-P energy: -114.671
tors. eta vs tors. theta energy: -242.554
Dist. restrs. and SS energy: 2.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -2707.909277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.909277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.773644 (E_RNA)
where:
Base-Base interactions energy: -1901.100
where: short stacking energy: -809.105
Base-Backbone interact. energy: -5.511
local terms energy: -807.161976
where:
bonds (distance) C4'-P energy: -139.548
bonds (distance) P-C4' energy: -139.602
flat angles C4'-P-C4' energy: -170.454
flat angles P-C4'-P energy: -116.463
tors. eta vs tors. theta energy: -241.095
Dist. restrs. and SS energy: 5.864 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -2599.707065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.707065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.801211 (E_RNA)
where:
Base-Base interactions energy: -1825.942
where: short stacking energy: -752.758
Base-Backbone interact. energy: -0.789
local terms energy: -779.070165
where:
bonds (distance) C4'-P energy: -126.247
bonds (distance) P-C4' energy: -138.922
flat angles C4'-P-C4' energy: -154.584
flat angles P-C4'-P energy: -119.020
tors. eta vs tors. theta energy: -240.298
Dist. restrs. and SS energy: 6.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -2473.800722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.800722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.285395 (E_RNA)
where:
Base-Base interactions energy: -1715.879
where: short stacking energy: -727.351
Base-Backbone interact. energy: -2.303
local terms energy: -762.103085
where:
bonds (distance) C4'-P energy: -149.786
bonds (distance) P-C4' energy: -132.899
flat angles C4'-P-C4' energy: -155.991
flat angles P-C4'-P energy: -101.552
tors. eta vs tors. theta energy: -221.875
Dist. restrs. and SS energy: 6.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -2514.985600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.985600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.422784 (E_RNA)
where:
Base-Base interactions energy: -1785.031
where: short stacking energy: -757.032
Base-Backbone interact. energy: -1.162
local terms energy: -732.230273
where:
bonds (distance) C4'-P energy: -128.792
bonds (distance) P-C4' energy: -140.745
flat angles C4'-P-C4' energy: -147.405
flat angles P-C4'-P energy: -96.521
tors. eta vs tors. theta energy: -218.768
Dist. restrs. and SS energy: 3.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -2356.152053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.152053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.891056 (E_RNA)
where:
Base-Base interactions energy: -1661.072
where: short stacking energy: -693.131
Base-Backbone interact. energy: -0.793
local terms energy: -700.025321
where:
bonds (distance) C4'-P energy: -120.378
bonds (distance) P-C4' energy: -119.581
flat angles C4'-P-C4' energy: -162.284
flat angles P-C4'-P energy: -98.788
tors. eta vs tors. theta energy: -198.994
Dist. restrs. and SS energy: 5.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -2306.620723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.620723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.414617 (E_RNA)
where:
Base-Base interactions energy: -1625.838
where: short stacking energy: -681.797
Base-Backbone interact. energy: 0.361
local terms energy: -688.936734
where:
bonds (distance) C4'-P energy: -111.141
bonds (distance) P-C4' energy: -119.022
flat angles C4'-P-C4' energy: -149.169
flat angles P-C4'-P energy: -101.431
tors. eta vs tors. theta energy: -208.173
Dist. restrs. and SS energy: 7.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -2225.657211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.657211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.865872 (E_RNA)
where:
Base-Base interactions energy: -1543.314
where: short stacking energy: -660.104
Base-Backbone interact. energy: -1.922
local terms energy: -689.630075
where:
bonds (distance) C4'-P energy: -146.531
bonds (distance) P-C4' energy: -112.117
flat angles C4'-P-C4' energy: -143.246
flat angles P-C4'-P energy: -97.822
tors. eta vs tors. theta energy: -189.914
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: 9, replica: 4
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -2117.992083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.992083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.555788 (E_RNA)
where:
Base-Base interactions energy: -1501.334
where: short stacking energy: -601.381
Base-Backbone interact. energy: -2.948
local terms energy: -619.273359
where:
bonds (distance) C4'-P energy: -126.242
bonds (distance) P-C4' energy: -116.139
flat angles C4'-P-C4' energy: -123.192
flat angles P-C4'-P energy: -82.689
tors. eta vs tors. theta energy: -171.011
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: 10, replica: 7
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -1931.740542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.740542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.506451 (E_RNA)
where:
Base-Base interactions energy: -1396.856
where: short stacking energy: -565.276
Base-Backbone interact. energy: -2.730
local terms energy: -558.920278
where:
bonds (distance) C4'-P energy: -98.401
bonds (distance) P-C4' energy: -89.758
flat angles C4'-P-C4' energy: -126.715
flat angles P-C4'-P energy: -80.864
tors. eta vs tors. theta energy: -163.182
Dist. restrs. and SS energy: 26.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -2807.642325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.642325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.489694 (E_RNA)
where:
Base-Base interactions energy: -1976.697
where: short stacking energy: -834.752
Base-Backbone interact. energy: -3.301
local terms energy: -831.491674
where:
bonds (distance) C4'-P energy: -137.078
bonds (distance) P-C4' energy: -148.183
flat angles C4'-P-C4' energy: -176.651
flat angles P-C4'-P energy: -122.436
tors. eta vs tors. theta energy: -247.143
Dist. restrs. and SS energy: 3.847 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -2697.013846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.013846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.067027 (E_RNA)
where:
Base-Base interactions energy: -1892.363
where: short stacking energy: -819.001
Base-Backbone interact. energy: -0.038
local terms energy: -808.666526
where:
bonds (distance) C4'-P energy: -126.870
bonds (distance) P-C4' energy: -153.102
flat angles C4'-P-C4' energy: -170.847
flat angles P-C4'-P energy: -105.768
tors. eta vs tors. theta energy: -252.080
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: 3, replica: 2
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -2619.996954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.996954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.229213 (E_RNA)
where:
Base-Base interactions energy: -1834.615
where: short stacking energy: -771.108
Base-Backbone interact. energy: -4.008
local terms energy: -788.606497
where:
bonds (distance) C4'-P energy: -133.789
bonds (distance) P-C4' energy: -125.988
flat angles C4'-P-C4' energy: -163.821
flat angles P-C4'-P energy: -123.796
tors. eta vs tors. theta energy: -241.213
Dist. restrs. and SS energy: 7.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -2531.596326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.596326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.694552 (E_RNA)
where:
Base-Base interactions energy: -1798.607
where: short stacking energy: -761.639
Base-Backbone interact. energy: -2.891
local terms energy: -738.196401
where:
bonds (distance) C4'-P energy: -127.264
bonds (distance) P-C4' energy: -139.829
flat angles C4'-P-C4' energy: -158.780
flat angles P-C4'-P energy: -84.820
tors. eta vs tors. theta energy: -227.503
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: 5, replica: 8
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -2495.900931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.900931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.510573 (E_RNA)
where:
Base-Base interactions energy: -1770.070
where: short stacking energy: -732.401
Base-Backbone interact. energy: 4.280
local terms energy: -733.719956
where:
bonds (distance) C4'-P energy: -124.781
bonds (distance) P-C4' energy: -135.515
flat angles C4'-P-C4' energy: -146.439
flat angles P-C4'-P energy: -95.081
tors. eta vs tors. theta energy: -231.903
Dist. restrs. and SS energy: 3.610 (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: 5
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -2355.130003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.130003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.834047 (E_RNA)
where:
Base-Base interactions energy: -1624.073
where: short stacking energy: -689.100
Base-Backbone interact. energy: -2.247
local terms energy: -733.514274
where:
bonds (distance) C4'-P energy: -141.443
bonds (distance) P-C4' energy: -139.405
flat angles C4'-P-C4' energy: -154.802
flat angles P-C4'-P energy: -84.810
tors. eta vs tors. theta energy: -213.053
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: 7, replica: 1
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -2296.253109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.253109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.030177 (E_RNA)
where:
Base-Base interactions energy: -1612.253
where: short stacking energy: -672.953
Base-Backbone interact. energy: -1.575
local terms energy: -689.202138
where:
bonds (distance) C4'-P energy: -115.492
bonds (distance) P-C4' energy: -111.501
flat angles C4'-P-C4' energy: -151.773
flat angles P-C4'-P energy: -101.875
tors. eta vs tors. theta energy: -208.561
Dist. restrs. and SS energy: 6.777 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -2240.806863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.806863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.458899 (E_RNA)
where:
Base-Base interactions energy: -1558.378
where: short stacking energy: -658.147
Base-Backbone interact. energy: -3.573
local terms energy: -691.507087
where:
bonds (distance) C4'-P energy: -133.722
bonds (distance) P-C4' energy: -121.967
flat angles C4'-P-C4' energy: -147.058
flat angles P-C4'-P energy: -94.896
tors. eta vs tors. theta energy: -193.865
Dist. restrs. and SS energy: 12.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -2104.105285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.105285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.150078 (E_RNA)
where:
Base-Base interactions energy: -1479.634
where: short stacking energy: -630.734
Base-Backbone interact. energy: -2.736
local terms energy: -630.780431
where:
bonds (distance) C4'-P energy: -131.063
bonds (distance) P-C4' energy: -110.410
flat angles C4'-P-C4' energy: -132.078
flat angles P-C4'-P energy: -78.643
tors. eta vs tors. theta energy: -178.587
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: 10, replica: 7
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -1969.215907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.215907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.793092 (E_RNA)
where:
Base-Base interactions energy: -1406.537
where: short stacking energy: -604.318
Base-Backbone interact. energy: -2.873
local terms energy: -587.383278
where:
bonds (distance) C4'-P energy: -107.043
bonds (distance) P-C4' energy: -88.894
flat angles C4'-P-C4' energy: -127.231
flat angles P-C4'-P energy: -96.191
tors. eta vs tors. theta energy: -168.024
Dist. restrs. and SS energy: 27.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -2811.020123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.020123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2815.299493 (E_RNA)
where:
Base-Base interactions energy: -1999.107
where: short stacking energy: -833.034
Base-Backbone interact. energy: -4.259
local terms energy: -811.934237
where:
bonds (distance) C4'-P energy: -145.762
bonds (distance) P-C4' energy: -138.070
flat angles C4'-P-C4' energy: -170.337
flat angles P-C4'-P energy: -112.847
tors. eta vs tors. theta energy: -244.919
Dist. restrs. and SS energy: 4.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -2700.762875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.762875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.528411 (E_RNA)
where:
Base-Base interactions energy: -1905.035
where: short stacking energy: -809.407
Base-Backbone interact. energy: -2.326
local terms energy: -799.167192
where:
bonds (distance) C4'-P energy: -137.484
bonds (distance) P-C4' energy: -139.174
flat angles C4'-P-C4' energy: -166.103
flat angles P-C4'-P energy: -106.168
tors. eta vs tors. theta energy: -250.238
Dist. restrs. and SS energy: 5.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -2601.613284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.613284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.925360 (E_RNA)
where:
Base-Base interactions energy: -1801.364
where: short stacking energy: -765.410
Base-Backbone interact. energy: -3.725
local terms energy: -801.836373
where:
bonds (distance) C4'-P energy: -159.818
bonds (distance) P-C4' energy: -130.026
flat angles C4'-P-C4' energy: -162.812
flat angles P-C4'-P energy: -113.217
tors. eta vs tors. theta energy: -235.963
Dist. restrs. and SS energy: 5.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -2577.227413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.227413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.135354 (E_RNA)
where:
Base-Base interactions energy: -1795.585
where: short stacking energy: -765.306
Base-Backbone interact. energy: 1.817
local terms energy: -786.367836
where:
bonds (distance) C4'-P energy: -127.221
bonds (distance) P-C4' energy: -142.889
flat angles C4'-P-C4' energy: -167.794
flat angles P-C4'-P energy: -119.540
tors. eta vs tors. theta energy: -228.924
Dist. restrs. and SS energy: 2.908 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -2423.989571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.989571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.141922 (E_RNA)
where:
Base-Base interactions energy: -1723.822
where: short stacking energy: -719.998
Base-Backbone interact. energy: -1.269
local terms energy: -713.051069
where:
bonds (distance) C4'-P energy: -125.620
bonds (distance) P-C4' energy: -120.968
flat angles C4'-P-C4' energy: -164.612
flat angles P-C4'-P energy: -88.694
tors. eta vs tors. theta energy: -213.157
Dist. restrs. and SS energy: 14.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -2372.575548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.575548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.829887 (E_RNA)
where:
Base-Base interactions energy: -1649.591
where: short stacking energy: -688.793
Base-Backbone interact. energy: 2.776
local terms energy: -730.014985
where:
bonds (distance) C4'-P energy: -134.208
bonds (distance) P-C4' energy: -121.450
flat angles C4'-P-C4' energy: -159.925
flat angles P-C4'-P energy: -98.523
tors. eta vs tors. theta energy: -215.909
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: 7, replica: 1
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -2291.913967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.913967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.690457 (E_RNA)
where:
Base-Base interactions energy: -1610.649
where: short stacking energy: -683.969
Base-Backbone interact. energy: 2.792
local terms energy: -690.833391
where:
bonds (distance) C4'-P energy: -109.147
bonds (distance) P-C4' energy: -133.894
flat angles C4'-P-C4' energy: -145.231
flat angles P-C4'-P energy: -91.361
tors. eta vs tors. theta energy: -211.200
Dist. restrs. and SS energy: 6.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -2194.556256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.556256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.856123 (E_RNA)
where:
Base-Base interactions energy: -1536.458
where: short stacking energy: -657.182
Base-Backbone interact. energy: -2.187
local terms energy: -668.211903
where:
bonds (distance) C4'-P energy: -122.216
bonds (distance) P-C4' energy: -117.272
flat angles C4'-P-C4' energy: -143.561
flat angles P-C4'-P energy: -96.328
tors. eta vs tors. theta energy: -188.835
Dist. restrs. and SS energy: 12.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -2128.039003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.039003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.880883 (E_RNA)
where:
Base-Base interactions energy: -1499.977
where: short stacking energy: -622.475
Base-Backbone interact. energy: 0.552
local terms energy: -638.455947
where:
bonds (distance) C4'-P energy: -113.083
bonds (distance) P-C4' energy: -132.362
flat angles C4'-P-C4' energy: -140.974
flat angles P-C4'-P energy: -87.643
tors. eta vs tors. theta energy: -164.395
Dist. restrs. and SS energy: 9.842 (S_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: 353
Temperature: 1.350000
Total energy: -1962.884392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.884392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.432046 (E_RNA)
where:
Base-Base interactions energy: -1406.258
where: short stacking energy: -588.243
Base-Backbone interact. energy: 1.328
local terms energy: -576.501938
where:
bonds (distance) C4'-P energy: -104.903
bonds (distance) P-C4' energy: -109.759
flat angles C4'-P-C4' energy: -127.730
flat angles P-C4'-P energy: -75.369
tors. eta vs tors. theta energy: -158.741
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: 1, replica: 3
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -2798.100122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.100122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.775151 (E_RNA)
where:
Base-Base interactions energy: -1982.182
where: short stacking energy: -819.485
Base-Backbone interact. energy: -7.306
local terms energy: -811.286951
where:
bonds (distance) C4'-P energy: -145.946
bonds (distance) P-C4' energy: -136.060
flat angles C4'-P-C4' energy: -171.523
flat angles P-C4'-P energy: -113.205
tors. eta vs tors. theta energy: -244.553
Dist. restrs. and SS energy: 2.675 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -2714.143293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.143293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.676389 (E_RNA)
where:
Base-Base interactions energy: -1894.936
where: short stacking energy: -815.723
Base-Backbone interact. energy: -0.868
local terms energy: -821.872073
where:
bonds (distance) C4'-P energy: -135.420
bonds (distance) P-C4' energy: -143.922
flat angles C4'-P-C4' energy: -167.825
flat angles P-C4'-P energy: -120.836
tors. eta vs tors. theta energy: -253.868
Dist. restrs. and SS energy: 3.533 (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: 354
Temperature: 1.000000
Total energy: -2604.554581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.554581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.829341 (E_RNA)
where:
Base-Base interactions energy: -1802.505
where: short stacking energy: -765.935
Base-Backbone interact. energy: -1.795
local terms energy: -803.530047
where:
bonds (distance) C4'-P energy: -147.009
bonds (distance) P-C4' energy: -144.311
flat angles C4'-P-C4' energy: -165.449
flat angles P-C4'-P energy: -112.644
tors. eta vs tors. theta energy: -234.117
Dist. restrs. and SS energy: 3.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -2590.324434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.324434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.568749 (E_RNA)
where:
Base-Base interactions energy: -1832.529
where: short stacking energy: -774.298
Base-Backbone interact. energy: -2.327
local terms energy: -758.712342
where:
bonds (distance) C4'-P energy: -120.624
bonds (distance) P-C4' energy: -135.612
flat angles C4'-P-C4' energy: -168.782
flat angles P-C4'-P energy: -107.889
tors. eta vs tors. theta energy: -225.806
Dist. restrs. and SS energy: 3.244 (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: 5
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -2447.314614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.314614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.572710 (E_RNA)
where:
Base-Base interactions energy: -1707.416
where: short stacking energy: -715.970
Base-Backbone interact. energy: -1.261
local terms energy: -741.896060
where:
bonds (distance) C4'-P energy: -127.592
bonds (distance) P-C4' energy: -152.518
flat angles C4'-P-C4' energy: -160.889
flat angles P-C4'-P energy: -92.930
tors. eta vs tors. theta energy: -207.967
Dist. restrs. and SS energy: 3.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -2363.562381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.562381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.530973 (E_RNA)
where:
Base-Base interactions energy: -1663.422
where: short stacking energy: -660.493
Base-Backbone interact. energy: -2.398
local terms energy: -709.710734
where:
bonds (distance) C4'-P energy: -133.307
bonds (distance) P-C4' energy: -141.992
flat angles C4'-P-C4' energy: -145.068
flat angles P-C4'-P energy: -87.442
tors. eta vs tors. theta energy: -201.902
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: 7, replica: 9
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -2233.211530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.211530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.726156 (E_RNA)
where:
Base-Base interactions energy: -1573.206
where: short stacking energy: -658.911
Base-Backbone interact. energy: 1.373
local terms energy: -672.893822
where:
bonds (distance) C4'-P energy: -134.115
bonds (distance) P-C4' energy: -110.581
flat angles C4'-P-C4' energy: -147.351
flat angles P-C4'-P energy: -89.095
tors. eta vs tors. theta energy: -191.752
Dist. restrs. and SS energy: 11.515 (S_DIST_RNA)
chem. 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: -2265.061845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.061845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.162731 (E_RNA)
where:
Base-Base interactions energy: -1622.795
where: short stacking energy: -686.431
Base-Backbone interact. energy: 2.905
local terms energy: -658.273174
where:
bonds (distance) C4'-P energy: -116.381
bonds (distance) P-C4' energy: -120.138
flat angles C4'-P-C4' energy: -140.840
flat angles P-C4'-P energy: -83.664
tors. eta vs tors. theta energy: -197.250
Dist. restrs. and SS energy: 13.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -2116.098212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.098212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.351338 (E_RNA)
where:
Base-Base interactions energy: -1505.214
where: short stacking energy: -613.266
Base-Backbone interact. energy: -1.275
local terms energy: -616.862233
where:
bonds (distance) C4'-P energy: -90.383
bonds (distance) P-C4' energy: -116.074
flat angles C4'-P-C4' energy: -152.468
flat angles P-C4'-P energy: -87.858
tors. eta vs tors. theta energy: -170.079
Dist. restrs. and SS energy: 7.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -2026.321048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.321048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.003949 (E_RNA)
where:
Base-Base interactions energy: -1443.324
where: short stacking energy: -625.385
Base-Backbone interact. energy: 0.816
local terms energy: -603.495992
where:
bonds (distance) C4'-P energy: -103.017
bonds (distance) P-C4' energy: -117.464
flat angles C4'-P-C4' energy: -124.085
flat angles P-C4'-P energy: -85.141
tors. eta vs tors. theta energy: -173.790
Dist. restrs. and SS energy: 19.683 (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: 3
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -2779.710641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2779.710641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.726652 (E_RNA)
where:
Base-Base interactions energy: -1978.573
where: short stacking energy: -818.946
Base-Backbone interact. energy: -3.724
local terms energy: -799.429206
where:
bonds (distance) C4'-P energy: -139.739
bonds (distance) P-C4' energy: -143.805
flat angles C4'-P-C4' energy: -164.249
flat angles P-C4'-P energy: -107.468
tors. eta vs tors. theta energy: -244.168
Dist. restrs. and SS energy: 2.016 (S_DIST_RNA)
chem. 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: -2722.169285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.169285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2725.496086 (E_RNA)
where:
Base-Base interactions energy: -1902.270
where: short stacking energy: -819.611
Base-Backbone interact. energy: -1.468
local terms energy: -821.757983
where:
bonds (distance) C4'-P energy: -140.364
bonds (distance) P-C4' energy: -149.431
flat angles C4'-P-C4' energy: -161.516
flat angles P-C4'-P energy: -119.844
tors. eta vs tors. theta energy: -250.602
Dist. restrs. and SS energy: 3.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -2602.143417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.143417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.897602 (E_RNA)
where:
Base-Base interactions energy: -1824.124
where: short stacking energy: -779.525
Base-Backbone interact. energy: -0.162
local terms energy: -781.611417
where:
bonds (distance) C4'-P energy: -133.022
bonds (distance) P-C4' energy: -145.282
flat angles C4'-P-C4' energy: -169.189
flat angles P-C4'-P energy: -110.764
tors. eta vs tors. theta energy: -223.354
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: 4, replica: 8
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -2584.896843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.896843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.503641 (E_RNA)
where:
Base-Base interactions energy: -1819.627
where: short stacking energy: -756.084
Base-Backbone interact. energy: -1.296
local terms energy: -769.580475
where:
bonds (distance) C4'-P energy: -144.341
bonds (distance) P-C4' energy: -133.850
flat angles C4'-P-C4' energy: -157.176
flat angles P-C4'-P energy: -108.041
tors. eta vs tors. theta energy: -226.172
Dist. restrs. and SS energy: 5.607 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -2466.356641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.356641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.012314 (E_RNA)
where:
Base-Base interactions energy: -1733.152
where: short stacking energy: -719.216
Base-Backbone interact. energy: 3.842
local terms energy: -740.702262
where:
bonds (distance) C4'-P energy: -135.226
bonds (distance) P-C4' energy: -131.499
flat angles C4'-P-C4' energy: -163.376
flat angles P-C4'-P energy: -92.639
tors. eta vs tors. theta energy: -217.962
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: 6, replica: 6
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -2396.098916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.098916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.405862 (E_RNA)
where:
Base-Base interactions energy: -1679.807
where: short stacking energy: -697.236
Base-Backbone interact. energy: -0.387
local terms energy: -727.212783
where:
bonds (distance) C4'-P energy: -135.104
bonds (distance) P-C4' energy: -129.768
flat angles C4'-P-C4' energy: -141.054
flat angles P-C4'-P energy: -101.298
tors. eta vs tors. theta energy: -219.989
Dist. restrs. and SS energy: 11.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -2283.825794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.825794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.807060 (E_RNA)
where:
Base-Base interactions energy: -1606.244
where: short stacking energy: -677.808
Base-Backbone interact. energy: -0.879
local terms energy: -685.684620
where:
bonds (distance) C4'-P energy: -120.294
bonds (distance) P-C4' energy: -133.584
flat angles C4'-P-C4' energy: -141.821
flat angles P-C4'-P energy: -97.997
tors. eta vs tors. theta energy: -191.988
Dist. restrs. and SS energy: 8.981 (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: 1
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -2170.009040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.009040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.223257 (E_RNA)
where:
Base-Base interactions energy: -1539.124
where: short stacking energy: -648.823
Base-Backbone interact. energy: -1.189
local terms energy: -636.910189
where:
bonds (distance) C4'-P energy: -121.235
bonds (distance) P-C4' energy: -121.636
flat angles C4'-P-C4' energy: -132.569
flat angles P-C4'-P energy: -90.409
tors. eta vs tors. theta energy: -171.061
Dist. restrs. and SS energy: 7.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -2158.854141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.854141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.076226 (E_RNA)
where:
Base-Base interactions energy: -1513.204
where: short stacking energy: -619.242
Base-Backbone interact. energy: 0.540
local terms energy: -654.412936
where:
bonds (distance) C4'-P energy: -117.344
bonds (distance) P-C4' energy: -113.346
flat angles C4'-P-C4' energy: -152.494
flat angles P-C4'-P energy: -94.462
tors. eta vs tors. theta energy: -176.767
Dist. restrs. and SS energy: 8.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -2022.910164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.910164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.332783 (E_RNA)
where:
Base-Base interactions energy: -1415.836
where: short stacking energy: -595.018
Base-Backbone interact. energy: 1.973
local terms energy: -628.470010
where:
bonds (distance) C4'-P energy: -98.029
bonds (distance) P-C4' energy: -133.391
flat angles C4'-P-C4' energy: -145.567
flat angles P-C4'-P energy: -79.447
tors. eta vs tors. theta energy: -172.035
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: 3
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -2770.974532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.974532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.710939 (E_RNA)
where:
Base-Base interactions energy: -1951.297
where: short stacking energy: -811.938
Base-Backbone interact. energy: -0.074
local terms energy: -823.339868
where:
bonds (distance) C4'-P energy: -144.826
bonds (distance) P-C4' energy: -137.672
flat angles C4'-P-C4' energy: -178.673
flat angles P-C4'-P energy: -118.878
tors. eta vs tors. theta energy: -243.291
Dist. restrs. and SS energy: 3.736 (S_DIST_RNA)
chem. 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: -2748.127520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2748.127520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.214808 (E_RNA)
where:
Base-Base interactions energy: -1919.995
where: short stacking energy: -821.771
Base-Backbone interact. energy: 0.446
local terms energy: -833.666141
where:
bonds (distance) C4'-P energy: -143.306
bonds (distance) P-C4' energy: -137.596
flat angles C4'-P-C4' energy: -171.586
flat angles P-C4'-P energy: -122.639
tors. eta vs tors. theta energy: -258.539
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: 3, replica: 8
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -2589.463963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.463963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.466974 (E_RNA)
where:
Base-Base interactions energy: -1804.609
where: short stacking energy: -785.492
Base-Backbone interact. energy: -1.695
local terms energy: -785.163307
where:
bonds (distance) C4'-P energy: -134.371
bonds (distance) P-C4' energy: -136.396
flat angles C4'-P-C4' energy: -163.272
flat angles P-C4'-P energy: -112.430
tors. eta vs tors. theta energy: -238.694
Dist. restrs. and SS energy: 2.003 (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: 2
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -2509.238518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.238518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.191692 (E_RNA)
where:
Base-Base interactions energy: -1760.749
where: short stacking energy: -756.131
Base-Backbone interact. energy: -2.077
local terms energy: -755.366468
where:
bonds (distance) C4'-P energy: -131.579
bonds (distance) P-C4' energy: -131.887
flat angles C4'-P-C4' energy: -164.586
flat angles P-C4'-P energy: -109.313
tors. eta vs tors. theta energy: -218.001
Dist. restrs. and SS energy: 8.953 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -2398.418403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.418403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.925116 (E_RNA)
where:
Base-Base interactions energy: -1654.072
where: short stacking energy: -721.829
Base-Backbone interact. energy: 3.505
local terms energy: -752.357954
where:
bonds (distance) C4'-P energy: -148.543
bonds (distance) P-C4' energy: -141.835
flat angles C4'-P-C4' energy: -157.002
flat angles P-C4'-P energy: -92.493
tors. eta vs tors. theta energy: -212.484
Dist. restrs. and SS energy: 4.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -2409.305228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.305228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.009772 (E_RNA)
where:
Base-Base interactions energy: -1673.658
where: short stacking energy: -688.801
Base-Backbone interact. energy: -2.771
local terms energy: -741.579986
where:
bonds (distance) C4'-P energy: -132.285
bonds (distance) P-C4' energy: -136.177
flat angles C4'-P-C4' energy: -150.909
flat angles P-C4'-P energy: -106.330
tors. eta vs tors. theta energy: -215.879
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: 7, replica: 9
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -2253.546772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.546772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.325054 (E_RNA)
where:
Base-Base interactions energy: -1586.621
where: short stacking energy: -670.410
Base-Backbone interact. energy: -2.081
local terms energy: -673.622367
where:
bonds (distance) C4'-P energy: -114.420
bonds (distance) P-C4' energy: -121.153
flat angles C4'-P-C4' energy: -137.414
flat angles P-C4'-P energy: -96.905
tors. eta vs tors. theta energy: -203.730
Dist. restrs. and SS energy: 8.778 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -2230.919379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.919379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.648221 (E_RNA)
where:
Base-Base interactions energy: -1547.907
where: short stacking energy: -654.269
Base-Backbone interact. energy: -1.006
local terms energy: -693.735772
where:
bonds (distance) C4'-P energy: -124.786
bonds (distance) P-C4' energy: -131.083
flat angles C4'-P-C4' energy: -144.106
flat angles P-C4'-P energy: -96.991
tors. eta vs tors. theta energy: -196.769
Dist. restrs. and SS energy: 11.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -2081.756055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.756055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.769136 (E_RNA)
where:
Base-Base interactions energy: -1519.967
where: short stacking energy: -624.220
Base-Backbone interact. energy: -0.154
local terms energy: -575.647691
where:
bonds (distance) C4'-P energy: -104.330
bonds (distance) P-C4' energy: -103.484
flat angles C4'-P-C4' energy: -111.655
flat angles P-C4'-P energy: -90.342
tors. eta vs tors. theta energy: -165.837
Dist. restrs. and SS energy: 14.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -1974.931413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.931413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.281881 (E_RNA)
where:
Base-Base interactions energy: -1378.954
where: short stacking energy: -571.876
Base-Backbone interact. energy: 0.510
local terms energy: -617.838192
where:
bonds (distance) C4'-P energy: -107.552
bonds (distance) P-C4' energy: -119.725
flat angles C4'-P-C4' energy: -139.641
flat angles P-C4'-P energy: -78.762
tors. eta vs tors. theta energy: -172.159
Dist. restrs. and SS energy: 21.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -2799.312959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.312959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.016286 (E_RNA)
where:
Base-Base interactions energy: -1969.009
where: short stacking energy: -826.054
Base-Backbone interact. energy: -0.809
local terms energy: -831.198649
where:
bonds (distance) C4'-P energy: -134.672
bonds (distance) P-C4' energy: -148.408
flat angles C4'-P-C4' energy: -179.517
flat angles P-C4'-P energy: -116.080
tors. eta vs tors. theta energy: -252.522
Dist. restrs. and SS energy: 1.703 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -2744.936608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2744.936608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.668554 (E_RNA)
where:
Base-Base interactions energy: -1938.841
where: short stacking energy: -820.918
Base-Backbone interact. energy: 1.399
local terms energy: -812.226316
where:
bonds (distance) C4'-P energy: -130.299
bonds (distance) P-C4' energy: -146.068
flat angles C4'-P-C4' energy: -172.082
flat angles P-C4'-P energy: -111.462
tors. eta vs tors. theta energy: -252.315
Dist. restrs. and SS energy: 4.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -2628.556431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.556431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.392630 (E_RNA)
where:
Base-Base interactions energy: -1864.050
where: short stacking energy: -776.756
Base-Backbone interact. energy: -3.316
local terms energy: -763.027128
where:
bonds (distance) C4'-P energy: -130.193
bonds (distance) P-C4' energy: -119.821
flat angles C4'-P-C4' energy: -164.037
flat angles P-C4'-P energy: -109.388
tors. eta vs tors. theta energy: -239.588
Dist. restrs. and SS energy: 1.836 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -2543.840879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.840879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.938142 (E_RNA)
where:
Base-Base interactions energy: -1792.118
where: short stacking energy: -748.071
Base-Backbone interact. energy: -4.079
local terms energy: -752.741423
where:
bonds (distance) C4'-P energy: -133.926
bonds (distance) P-C4' energy: -133.554
flat angles C4'-P-C4' energy: -166.684
flat angles P-C4'-P energy: -85.652
tors. eta vs tors. theta energy: -232.926
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: 5, replica: 5
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -2446.464914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.464914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.150832 (E_RNA)
where:
Base-Base interactions energy: -1707.329
where: short stacking energy: -717.118
Base-Backbone interact. energy: -1.307
local terms energy: -741.514896
where:
bonds (distance) C4'-P energy: -137.209
bonds (distance) P-C4' energy: -131.984
flat angles C4'-P-C4' energy: -149.947
flat angles P-C4'-P energy: -98.016
tors. eta vs tors. theta energy: -224.359
Dist. restrs. and SS energy: 3.686 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -2424.322932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.322932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.878407 (E_RNA)
where:
Base-Base interactions energy: -1714.441
where: short stacking energy: -705.394
Base-Backbone interact. energy: -1.154
local terms energy: -716.283358
where:
bonds (distance) C4'-P energy: -131.520
bonds (distance) P-C4' energy: -142.157
flat angles C4'-P-C4' energy: -140.203
flat angles P-C4'-P energy: -93.385
tors. eta vs tors. theta energy: -209.019
Dist. restrs. and SS energy: 7.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -2263.360597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.360597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.380028 (E_RNA)
where:
Base-Base interactions energy: -1598.917
where: short stacking energy: -671.393
Base-Backbone interact. energy: -3.711
local terms energy: -669.751629
where:
bonds (distance) C4'-P energy: -111.936
bonds (distance) P-C4' energy: -127.218
flat angles C4'-P-C4' energy: -149.279
flat angles P-C4'-P energy: -76.477
tors. eta vs tors. theta energy: -204.841
Dist. restrs. and SS energy: 9.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -2262.707121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.707121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.339240 (E_RNA)
where:
Base-Base interactions energy: -1572.308
where: short stacking energy: -658.087
Base-Backbone interact. energy: -4.039
local terms energy: -693.991803
where:
bonds (distance) C4'-P energy: -107.394
bonds (distance) P-C4' energy: -121.808
flat angles C4'-P-C4' energy: -146.756
flat angles P-C4'-P energy: -111.271
tors. eta vs tors. theta energy: -206.762
Dist. restrs. and SS energy: 7.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -2132.358292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.358292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.758115 (E_RNA)
where:
Base-Base interactions energy: -1506.547
where: short stacking energy: -629.647
Base-Backbone interact. energy: -1.383
local terms energy: -638.827819
where:
bonds (distance) C4'-P energy: -101.303
bonds (distance) P-C4' energy: -132.446
flat angles C4'-P-C4' energy: -131.346
flat angles P-C4'-P energy: -94.752
tors. eta vs tors. theta energy: -178.981
Dist. restrs. and SS energy: 14.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -2002.801626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.801626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.006847 (E_RNA)
where:
Base-Base interactions energy: -1410.971
where: short stacking energy: -578.121
Base-Backbone interact. energy: -0.874
local terms energy: -607.161443
where:
bonds (distance) C4'-P energy: -94.645
bonds (distance) P-C4' energy: -100.021
flat angles C4'-P-C4' energy: -138.126
flat angles P-C4'-P energy: -90.345
tors. eta vs tors. theta energy: -184.024
Dist. restrs. and SS energy: 16.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -2792.171485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2792.171485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.827080 (E_RNA)
where:
Base-Base interactions energy: -1975.921
where: short stacking energy: -809.919
Base-Backbone interact. energy: -3.118
local terms energy: -818.788060
where:
bonds (distance) C4'-P energy: -141.104
bonds (distance) P-C4' energy: -148.841
flat angles C4'-P-C4' energy: -173.431
flat angles P-C4'-P energy: -116.053
tors. eta vs tors. theta energy: -239.358
Dist. restrs. and SS energy: 5.656 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -2723.273605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.273605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.101955 (E_RNA)
where:
Base-Base interactions energy: -1897.981
where: short stacking energy: -805.868
Base-Backbone interact. energy: 3.294
local terms energy: -831.415447
where:
bonds (distance) C4'-P energy: -143.822
bonds (distance) P-C4' energy: -143.870
flat angles C4'-P-C4' energy: -177.295
flat angles P-C4'-P energy: -118.369
tors. eta vs tors. theta energy: -248.059
Dist. restrs. and SS energy: 2.828 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -2577.368028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.368028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.769650 (E_RNA)
where:
Base-Base interactions energy: -1790.607
where: short stacking energy: -770.971
Base-Backbone interact. energy: -1.057
local terms energy: -789.105811
where:
bonds (distance) C4'-P energy: -137.909
bonds (distance) P-C4' energy: -157.477
flat angles C4'-P-C4' energy: -170.380
flat angles P-C4'-P energy: -94.175
tors. eta vs tors. theta energy: -229.164
Dist. restrs. and SS energy: 3.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -2555.085096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.085096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.278029 (E_RNA)
where:
Base-Base interactions energy: -1804.815
where: short stacking energy: -758.297
Base-Backbone interact. energy: -1.350
local terms energy: -753.113398
where:
bonds (distance) C4'-P energy: -133.959
bonds (distance) P-C4' energy: -134.696
flat angles C4'-P-C4' energy: -159.699
flat angles P-C4'-P energy: -93.155
tors. eta vs tors. theta energy: -231.604
Dist. restrs. and SS energy: 4.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -2448.250701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.250701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.818756 (E_RNA)
where:
Base-Base interactions energy: -1694.137
where: short stacking energy: -720.542
Base-Backbone interact. energy: -0.410
local terms energy: -762.272249
where:
bonds (distance) C4'-P energy: -123.950
bonds (distance) P-C4' energy: -144.498
flat angles C4'-P-C4' energy: -151.146
flat angles P-C4'-P energy: -115.117
tors. eta vs tors. theta energy: -227.561
Dist. restrs. and SS energy: 8.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -2388.196205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.196205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.665977 (E_RNA)
where:
Base-Base interactions energy: -1695.203
where: short stacking energy: -709.106
Base-Backbone interact. energy: -2.179
local terms energy: -693.283103
where:
bonds (distance) C4'-P energy: -120.216
bonds (distance) P-C4' energy: -111.956
flat angles C4'-P-C4' energy: -143.177
flat angles P-C4'-P energy: -107.649
tors. eta vs tors. theta energy: -210.286
Dist. restrs. and SS energy: 2.470 (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: 9
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -2252.599080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.599080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.228061 (E_RNA)
where:
Base-Base interactions energy: -1601.286
where: short stacking energy: -682.168
Base-Backbone interact. energy: 5.566
local terms energy: -668.508464
where:
bonds (distance) C4'-P energy: -109.580
bonds (distance) P-C4' energy: -121.962
flat angles C4'-P-C4' energy: -140.040
flat angles P-C4'-P energy: -91.749
tors. eta vs tors. theta energy: -205.178
Dist. restrs. and SS energy: 11.629 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -2236.197273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.197273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.236934 (E_RNA)
where:
Base-Base interactions energy: -1609.533
where: short stacking energy: -675.442
Base-Backbone interact. energy: 0.056
local terms energy: -634.759799
where:
bonds (distance) C4'-P energy: -115.857
bonds (distance) P-C4' energy: -100.252
flat angles C4'-P-C4' energy: -146.384
flat angles P-C4'-P energy: -84.155
tors. eta vs tors. theta energy: -188.112
Dist. restrs. and SS energy: 8.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -2105.648578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.648578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.945164 (E_RNA)
where:
Base-Base interactions energy: -1492.346
where: short stacking energy: -646.089
Base-Backbone interact. energy: 0.976
local terms energy: -623.575175
where:
bonds (distance) C4'-P energy: -106.517
bonds (distance) P-C4' energy: -102.616
flat angles C4'-P-C4' energy: -148.384
flat angles P-C4'-P energy: -94.348
tors. eta vs tors. theta energy: -171.710
Dist. restrs. and SS energy: 9.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -1985.775390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.775390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.045499 (E_RNA)
where:
Base-Base interactions energy: -1380.072
where: short stacking energy: -564.692
Base-Backbone interact. energy: 2.591
local terms energy: -636.565316
where:
bonds (distance) C4'-P energy: -101.038
bonds (distance) P-C4' energy: -140.210
flat angles C4'-P-C4' energy: -137.415
flat angles P-C4'-P energy: -92.541
tors. eta vs tors. theta energy: -165.361
Dist. restrs. and SS energy: 28.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -2800.087754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.087754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.809052 (E_RNA)
where:
Base-Base interactions energy: -1971.059
where: short stacking energy: -838.620
Base-Backbone interact. energy: -1.599
local terms energy: -830.151127
where:
bonds (distance) C4'-P energy: -135.478
bonds (distance) P-C4' energy: -146.479
flat angles C4'-P-C4' energy: -165.318
flat angles P-C4'-P energy: -132.830
tors. eta vs tors. theta energy: -250.046
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: 10
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -2704.503046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.503046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.331736 (E_RNA)
where:
Base-Base interactions energy: -1876.560
where: short stacking energy: -816.696
Base-Backbone interact. energy: -0.989
local terms energy: -829.782694
where:
bonds (distance) C4'-P energy: -145.741
bonds (distance) P-C4' energy: -142.505
flat angles C4'-P-C4' energy: -171.089
flat angles P-C4'-P energy: -117.226
tors. eta vs tors. theta energy: -253.221
Dist. restrs. and SS energy: 2.829 (S_DIST_RNA)
chem. 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: -2608.382385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.382385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.038857 (E_RNA)
where:
Base-Base interactions energy: -1829.952
where: short stacking energy: -781.908
Base-Backbone interact. energy: -0.079
local terms energy: -784.007763
where:
bonds (distance) C4'-P energy: -136.902
bonds (distance) P-C4' energy: -135.444
flat angles C4'-P-C4' energy: -167.239
flat angles P-C4'-P energy: -102.434
tors. eta vs tors. theta energy: -241.989
Dist. restrs. and SS energy: 5.656 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -2534.500190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.500190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.762543 (E_RNA)
where:
Base-Base interactions energy: -1770.189
where: short stacking energy: -753.794
Base-Backbone interact. energy: -4.750
local terms energy: -762.823476
where:
bonds (distance) C4'-P energy: -128.201
bonds (distance) P-C4' energy: -131.281
flat angles C4'-P-C4' energy: -167.888
flat angles P-C4'-P energy: -112.061
tors. eta vs tors. theta energy: -223.393
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: 5, replica: 6
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -2441.418358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.418358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.419756 (E_RNA)
where:
Base-Base interactions energy: -1740.221
where: short stacking energy: -733.964
Base-Backbone interact. energy: -2.257
local terms energy: -709.942639
where:
bonds (distance) C4'-P energy: -109.917
bonds (distance) P-C4' energy: -130.316
flat angles C4'-P-C4' energy: -147.727
flat angles P-C4'-P energy: -101.687
tors. eta vs tors. theta energy: -220.295
Dist. restrs. and SS energy: 11.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -2376.899129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.899129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.452884 (E_RNA)
where:
Base-Base interactions energy: -1654.575
where: short stacking energy: -701.776
Base-Backbone interact. energy: 4.909
local terms energy: -730.787244
where:
bonds (distance) C4'-P energy: -134.836
bonds (distance) P-C4' energy: -134.327
flat angles C4'-P-C4' energy: -138.143
flat angles P-C4'-P energy: -96.146
tors. eta vs tors. theta energy: -227.335
Dist. restrs. and SS energy: 3.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -2248.614912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.614912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.955129 (E_RNA)
where:
Base-Base interactions energy: -1588.807
where: short stacking energy: -666.432
Base-Backbone interact. energy: -2.875
local terms energy: -666.272356
where:
bonds (distance) C4'-P energy: -100.235
bonds (distance) P-C4' energy: -120.336
flat angles C4'-P-C4' energy: -150.932
flat angles P-C4'-P energy: -91.841
tors. eta vs tors. theta energy: -202.928
Dist. restrs. and SS energy: 9.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -2195.255118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.255118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.674022 (E_RNA)
where:
Base-Base interactions energy: -1535.637
where: short stacking energy: -620.651
Base-Backbone interact. energy: -2.570
local terms energy: -664.467981
where:
bonds (distance) C4'-P energy: -118.787
bonds (distance) P-C4' energy: -124.883
flat angles C4'-P-C4' energy: -136.032
flat angles P-C4'-P energy: -87.657
tors. eta vs tors. theta energy: -197.108
Dist. restrs. and SS energy: 7.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -2071.909931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.909931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.093641 (E_RNA)
where:
Base-Base interactions energy: -1485.729
where: short stacking energy: -579.019
Base-Backbone interact. energy: 0.952
local terms energy: -594.316931
where:
bonds (distance) C4'-P energy: -98.998
bonds (distance) P-C4' energy: -129.159
flat angles C4'-P-C4' energy: -121.493
flat angles P-C4'-P energy: -75.023
tors. eta vs tors. theta energy: -169.644
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: 10, replica: 7
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -1961.569488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.569488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.041411 (E_RNA)
where:
Base-Base interactions energy: -1395.955
where: short stacking energy: -598.194
Base-Backbone interact. energy: -0.962
local terms energy: -596.124325
where:
bonds (distance) C4'-P energy: -106.448
bonds (distance) P-C4' energy: -112.099
flat angles C4'-P-C4' energy: -141.622
flat angles P-C4'-P energy: -75.068
tors. eta vs tors. theta energy: -160.887
Dist. restrs. and SS energy: 31.472 (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: 3
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -2835.669979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2835.669979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2840.323185 (E_RNA)
where:
Base-Base interactions energy: -1986.641
where: short stacking energy: -819.830
Base-Backbone interact. energy: -3.296
local terms energy: -850.385986
where:
bonds (distance) C4'-P energy: -149.392
bonds (distance) P-C4' energy: -150.534
flat angles C4'-P-C4' energy: -177.602
flat angles P-C4'-P energy: -121.065
tors. eta vs tors. theta energy: -251.793
Dist. restrs. and SS energy: 4.653 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -2716.612549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.612549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.139629 (E_RNA)
where:
Base-Base interactions energy: -1899.946
where: short stacking energy: -826.151
Base-Backbone interact. energy: -3.170
local terms energy: -816.023851
where:
bonds (distance) C4'-P energy: -139.477
bonds (distance) P-C4' energy: -145.190
flat angles C4'-P-C4' energy: -156.011
flat angles P-C4'-P energy: -119.432
tors. eta vs tors. theta energy: -255.913
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: 3, replica: 8
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -2654.377402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.377402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.382136 (E_RNA)
where:
Base-Base interactions energy: -1861.127
where: short stacking energy: -805.587
Base-Backbone interact. energy: 1.955
local terms energy: -799.210545
where:
bonds (distance) C4'-P energy: -134.195
bonds (distance) P-C4' energy: -137.617
flat angles C4'-P-C4' energy: -172.082
flat angles P-C4'-P energy: -112.679
tors. eta vs tors. theta energy: -242.638
Dist. restrs. and SS energy: 4.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -2521.234151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.234151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.106422 (E_RNA)
where:
Base-Base interactions energy: -1754.047
where: short stacking energy: -751.071
Base-Backbone interact. energy: -0.285
local terms energy: -770.774937
where:
bonds (distance) C4'-P energy: -134.234
bonds (distance) P-C4' energy: -151.959
flat angles C4'-P-C4' energy: -154.667
flat angles P-C4'-P energy: -100.379
tors. eta vs tors. theta energy: -229.536
Dist. restrs. and SS energy: 3.872 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -2437.553498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.553498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.145946 (E_RNA)
where:
Base-Base interactions energy: -1727.036
where: short stacking energy: -733.452
Base-Backbone interact. energy: 2.698
local terms energy: -721.807591
where:
bonds (distance) C4'-P energy: -139.887
bonds (distance) P-C4' energy: -103.153
flat angles C4'-P-C4' energy: -165.796
flat angles P-C4'-P energy: -95.676
tors. eta vs tors. theta energy: -217.296
Dist. restrs. and SS energy: 8.592 (S_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: 360
Temperature: 1.150000
Total energy: -2364.475759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.475759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.096939 (E_RNA)
where:
Base-Base interactions energy: -1663.085
where: short stacking energy: -707.065
Base-Backbone interact. energy: -0.471
local terms energy: -704.540758
where:
bonds (distance) C4'-P energy: -109.696
bonds (distance) P-C4' energy: -142.650
flat angles C4'-P-C4' energy: -135.999
flat angles P-C4'-P energy: -94.624
tors. eta vs tors. theta energy: -221.571
Dist. restrs. and SS energy: 3.621 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -2266.818576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.818576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.906874 (E_RNA)
where:
Base-Base interactions energy: -1569.011
where: short stacking energy: -649.732
Base-Backbone interact. energy: -3.726
local terms energy: -706.170133
where:
bonds (distance) C4'-P energy: -131.197
bonds (distance) P-C4' energy: -112.491
flat angles C4'-P-C4' energy: -161.939
flat angles P-C4'-P energy: -99.980
tors. eta vs tors. theta energy: -200.564
Dist. restrs. and SS energy: 12.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -2210.192675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.192675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.013973 (E_RNA)
where:
Base-Base interactions energy: -1593.849
where: short stacking energy: -672.909
Base-Backbone interact. energy: -1.514
local terms energy: -621.650569
where:
bonds (distance) C4'-P energy: -118.306
bonds (distance) P-C4' energy: -91.531
flat angles C4'-P-C4' energy: -139.403
flat angles P-C4'-P energy: -82.741
tors. eta vs tors. theta energy: -189.670
Dist. restrs. and SS energy: 6.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -2087.963397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.963397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.858994 (E_RNA)
where:
Base-Base interactions energy: -1492.897
where: short stacking energy: -587.375
Base-Backbone interact. energy: 3.359
local terms energy: -608.320306
where:
bonds (distance) C4'-P energy: -119.320
bonds (distance) P-C4' energy: -106.002
flat angles C4'-P-C4' energy: -132.095
flat angles P-C4'-P energy: -76.926
tors. eta vs tors. theta energy: -173.978
Dist. restrs. and SS energy: 9.896 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -1901.885713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.885713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.482976 (E_RNA)
where:
Base-Base interactions energy: -1348.406
where: short stacking energy: -563.806
Base-Backbone interact. energy: -3.698
local terms energy: -576.379259
where:
bonds (distance) C4'-P energy: -99.886
bonds (distance) P-C4' energy: -119.313
flat angles C4'-P-C4' energy: -116.952
flat angles P-C4'-P energy: -91.353
tors. eta vs tors. theta energy: -148.876
Dist. restrs. and SS energy: 26.597 (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: 3
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -2805.100097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.100097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.689764 (E_RNA)
where:
Base-Base interactions energy: -1963.640
where: short stacking energy: -820.164
Base-Backbone interact. energy: -1.571
local terms energy: -842.478186
where:
bonds (distance) C4'-P energy: -152.411
bonds (distance) P-C4' energy: -160.184
flat angles C4'-P-C4' energy: -172.048
flat angles P-C4'-P energy: -117.886
tors. eta vs tors. theta energy: -239.950
Dist. restrs. and SS energy: 2.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -2718.104993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.104993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.471575 (E_RNA)
where:
Base-Base interactions energy: -1907.793
where: short stacking energy: -807.208
Base-Backbone interact. energy: 2.260
local terms energy: -816.938727
where:
bonds (distance) C4'-P energy: -136.607
bonds (distance) P-C4' energy: -142.466
flat angles C4'-P-C4' energy: -171.233
flat angles P-C4'-P energy: -123.776
tors. eta vs tors. theta energy: -242.858
Dist. restrs. and SS energy: 4.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -2615.284121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.284121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.129859 (E_RNA)
where:
Base-Base interactions energy: -1813.100
where: short stacking energy: -767.673
Base-Backbone interact. energy: -0.959
local terms energy: -808.070897
where:
bonds (distance) C4'-P energy: -140.109
bonds (distance) P-C4' energy: -143.717
flat angles C4'-P-C4' energy: -175.774
flat angles P-C4'-P energy: -118.085
tors. eta vs tors. theta energy: -230.386
Dist. restrs. and SS energy: 6.846 (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: 2
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -2560.432647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.432647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.975186 (E_RNA)
where:
Base-Base interactions energy: -1799.132
where: short stacking energy: -771.890
Base-Backbone interact. energy: -2.807
local terms energy: -762.035694
where:
bonds (distance) C4'-P energy: -137.643
bonds (distance) P-C4' energy: -139.195
flat angles C4'-P-C4' energy: -157.478
flat angles P-C4'-P energy: -97.439
tors. eta vs tors. theta energy: -230.280
Dist. restrs. and SS energy: 3.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -2452.266556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.266556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.868654 (E_RNA)
where:
Base-Base interactions energy: -1751.933
where: short stacking energy: -746.867
Base-Backbone interact. energy: -2.106
local terms energy: -705.829005
where:
bonds (distance) C4'-P energy: -121.896
bonds (distance) P-C4' energy: -128.432
flat angles C4'-P-C4' energy: -153.360
flat angles P-C4'-P energy: -86.432
tors. eta vs tors. theta energy: -215.708
Dist. restrs. and SS energy: 7.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -2355.232042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.232042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.750163 (E_RNA)
where:
Base-Base interactions energy: -1659.363
where: short stacking energy: -675.931
Base-Backbone interact. energy: -2.557
local terms energy: -696.830299
where:
bonds (distance) C4'-P energy: -122.886
bonds (distance) P-C4' energy: -124.513
flat angles C4'-P-C4' energy: -144.594
flat angles P-C4'-P energy: -94.192
tors. eta vs tors. theta energy: -210.646
Dist. restrs. and SS energy: 3.518 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -2275.391526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.391526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.436262 (E_RNA)
where:
Base-Base interactions energy: -1645.509
where: short stacking energy: -684.706
Base-Backbone interact. energy: -1.789
local terms energy: -640.137783
where:
bonds (distance) C4'-P energy: -94.087
bonds (distance) P-C4' energy: -109.573
flat angles C4'-P-C4' energy: -136.842
flat angles P-C4'-P energy: -101.197
tors. eta vs tors. theta energy: -198.439
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: 8, replica: 1
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -2244.592186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.592186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.278166 (E_RNA)
where:
Base-Base interactions energy: -1576.384
where: short stacking energy: -669.041
Base-Backbone interact. energy: 0.020
local terms energy: -674.913998
where:
bonds (distance) C4'-P energy: -122.463
bonds (distance) P-C4' energy: -124.013
flat angles C4'-P-C4' energy: -146.578
flat angles P-C4'-P energy: -85.080
tors. eta vs tors. theta energy: -196.779
Dist. restrs. and SS energy: 6.686 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -2082.960808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.960808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.861441 (E_RNA)
where:
Base-Base interactions energy: -1486.587
where: short stacking energy: -602.446
Base-Backbone interact. energy: 0.893
local terms energy: -606.167547
where:
bonds (distance) C4'-P energy: -99.029
bonds (distance) P-C4' energy: -112.870
flat angles C4'-P-C4' energy: -137.985
flat angles P-C4'-P energy: -80.709
tors. eta vs tors. theta energy: -175.574
Dist. restrs. and SS energy: 8.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -1931.112194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.112194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.981610 (E_RNA)
where:
Base-Base interactions energy: -1384.538
where: short stacking energy: -553.643
Base-Backbone interact. energy: 5.378
local terms energy: -564.821187
where:
bonds (distance) C4'-P energy: -77.988
bonds (distance) P-C4' energy: -133.051
flat angles C4'-P-C4' energy: -129.268
flat angles P-C4'-P energy: -62.618
tors. eta vs tors. theta energy: -161.896
Dist. restrs. and SS energy: 12.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -2803.785166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.785166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.662037 (E_RNA)
where:
Base-Base interactions energy: -1966.572
where: short stacking energy: -831.001
Base-Backbone interact. energy: -3.518
local terms energy: -837.571847
where:
bonds (distance) C4'-P energy: -149.819
bonds (distance) P-C4' energy: -129.163
flat angles C4'-P-C4' energy: -172.897
flat angles P-C4'-P energy: -135.992
tors. eta vs tors. theta energy: -249.701
Dist. restrs. and SS energy: 3.877 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -2713.464050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.464050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.834476 (E_RNA)
where:
Base-Base interactions energy: -1889.521
where: short stacking energy: -816.996
Base-Backbone interact. energy: 2.419
local terms energy: -828.732267
where:
bonds (distance) C4'-P energy: -141.070
bonds (distance) P-C4' energy: -144.101
flat angles C4'-P-C4' energy: -172.730
flat angles P-C4'-P energy: -115.454
tors. eta vs tors. theta energy: -255.377
Dist. restrs. and SS energy: 2.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -2613.733368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.733368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.697309 (E_RNA)
where:
Base-Base interactions energy: -1828.507
where: short stacking energy: -777.046
Base-Backbone interact. energy: -3.346
local terms energy: -786.843884
where:
bonds (distance) C4'-P energy: -128.064
bonds (distance) P-C4' energy: -146.739
flat angles C4'-P-C4' energy: -160.263
flat angles P-C4'-P energy: -108.646
tors. eta vs tors. theta energy: -243.133
Dist. restrs. and SS energy: 4.964 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -2518.349322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.349322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.402000 (E_RNA)
where:
Base-Base interactions energy: -1757.608
where: short stacking energy: -721.821
Base-Backbone interact. energy: -0.744
local terms energy: -765.049802
where:
bonds (distance) C4'-P energy: -134.433
bonds (distance) P-C4' energy: -137.859
flat angles C4'-P-C4' energy: -159.398
flat angles P-C4'-P energy: -103.466
tors. eta vs tors. theta energy: -229.894
Dist. restrs. and SS energy: 5.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -2454.531239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.531239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.656836 (E_RNA)
where:
Base-Base interactions energy: -1693.602
where: short stacking energy: -738.836
Base-Backbone interact. energy: -2.140
local terms energy: -765.914494
where:
bonds (distance) C4'-P energy: -139.484
bonds (distance) P-C4' energy: -127.515
flat angles C4'-P-C4' energy: -158.748
flat angles P-C4'-P energy: -101.309
tors. eta vs tors. theta energy: -238.859
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: 6, replica: 5
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -2389.977272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.977272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.815936 (E_RNA)
where:
Base-Base interactions energy: -1704.545
where: short stacking energy: -709.427
Base-Backbone interact. energy: 0.005
local terms energy: -691.275996
where:
bonds (distance) C4'-P energy: -114.834
bonds (distance) P-C4' energy: -135.282
flat angles C4'-P-C4' energy: -136.564
flat angles P-C4'-P energy: -93.125
tors. eta vs tors. theta energy: -211.471
Dist. restrs. and SS energy: 5.839 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -2297.181842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.181842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.067034 (E_RNA)
where:
Base-Base interactions energy: -1606.312
where: short stacking energy: -685.958
Base-Backbone interact. energy: 0.387
local terms energy: -702.142116
where:
bonds (distance) C4'-P energy: -134.724
bonds (distance) P-C4' energy: -122.683
flat angles C4'-P-C4' energy: -138.750
flat angles P-C4'-P energy: -104.710
tors. eta vs tors. theta energy: -201.275
Dist. restrs. and SS energy: 10.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -2226.531211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.531211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.899432 (E_RNA)
where:
Base-Base interactions energy: -1578.600
where: short stacking energy: -677.749
Base-Backbone interact. energy: 4.719
local terms energy: -658.018002
where:
bonds (distance) C4'-P energy: -122.889
bonds (distance) P-C4' energy: -119.037
flat angles C4'-P-C4' energy: -135.904
flat angles P-C4'-P energy: -84.895
tors. eta vs tors. theta energy: -195.293
Dist. restrs. and SS energy: 5.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -2124.982580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.982580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.038658 (E_RNA)
where:
Base-Base interactions energy: -1491.206
where: short stacking energy: -619.591
Base-Backbone interact. energy: -1.501
local terms energy: -647.331958
where:
bonds (distance) C4'-P energy: -99.771
bonds (distance) P-C4' energy: -133.012
flat angles C4'-P-C4' energy: -145.947
flat angles P-C4'-P energy: -85.010
tors. eta vs tors. theta energy: -183.593
Dist. restrs. and SS energy: 15.056 (S_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: 362
Temperature: 1.350000
Total energy: -1945.224767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.224767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.440443 (E_RNA)
where:
Base-Base interactions energy: -1390.312
where: short stacking energy: -582.467
Base-Backbone interact. energy: -1.118
local terms energy: -590.010099
where:
bonds (distance) C4'-P energy: -91.843
bonds (distance) P-C4' energy: -102.732
flat angles C4'-P-C4' energy: -137.877
flat angles P-C4'-P energy: -87.972
tors. eta vs tors. theta energy: -169.586
Dist. restrs. and SS energy: 36.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -2797.898452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.898452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.654415 (E_RNA)
where:
Base-Base interactions energy: -1972.870
where: short stacking energy: -823.581
Base-Backbone interact. energy: -3.159
local terms energy: -825.625621
where:
bonds (distance) C4'-P energy: -130.966
bonds (distance) P-C4' energy: -146.913
flat angles C4'-P-C4' energy: -172.739
flat angles P-C4'-P energy: -118.526
tors. eta vs tors. theta energy: -256.482
Dist. restrs. and SS energy: 3.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -2714.192568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.192568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.557006 (E_RNA)
where:
Base-Base interactions energy: -1920.503
where: short stacking energy: -831.981
Base-Backbone interact. energy: -0.836
local terms energy: -799.218053
where:
bonds (distance) C4'-P energy: -126.835
bonds (distance) P-C4' energy: -134.264
flat angles C4'-P-C4' energy: -176.026
flat angles P-C4'-P energy: -111.405
tors. eta vs tors. theta energy: -250.688
Dist. restrs. and SS energy: 6.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -2618.473104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.473104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.253111 (E_RNA)
where:
Base-Base interactions energy: -1829.847
where: short stacking energy: -763.492
Base-Backbone interact. energy: -3.111
local terms energy: -791.295290
where:
bonds (distance) C4'-P energy: -135.412
bonds (distance) P-C4' energy: -130.784
flat angles C4'-P-C4' energy: -158.435
flat angles P-C4'-P energy: -120.710
tors. eta vs tors. theta energy: -245.955
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: 4, replica: 6
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -2517.322868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.322868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.451401 (E_RNA)
where:
Base-Base interactions energy: -1769.278
where: short stacking energy: -771.323
Base-Backbone interact. energy: -0.119
local terms energy: -756.054650
where:
bonds (distance) C4'-P energy: -138.686
bonds (distance) P-C4' energy: -120.159
flat angles C4'-P-C4' energy: -164.268
flat angles P-C4'-P energy: -102.594
tors. eta vs tors. theta energy: -230.348
Dist. restrs. and SS energy: 8.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -2459.492714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.492714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.509187 (E_RNA)
where:
Base-Base interactions energy: -1721.673
where: short stacking energy: -724.090
Base-Backbone interact. energy: -2.665
local terms energy: -737.171861
where:
bonds (distance) C4'-P energy: -130.506
bonds (distance) P-C4' energy: -117.265
flat angles C4'-P-C4' energy: -153.375
flat angles P-C4'-P energy: -111.796
tors. eta vs tors. theta energy: -224.230
Dist. restrs. and SS energy: 2.016 (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: 5
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -2408.548981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.548981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.224537 (E_RNA)
where:
Base-Base interactions energy: -1715.479
where: short stacking energy: -712.367
Base-Backbone interact. energy: -1.232
local terms energy: -696.513995
where:
bonds (distance) C4'-P energy: -120.300
bonds (distance) P-C4' energy: -134.783
flat angles C4'-P-C4' energy: -150.588
flat angles P-C4'-P energy: -87.489
tors. eta vs tors. theta energy: -203.355
Dist. restrs. and SS energy: 4.676 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -2234.909908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.909908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.491518 (E_RNA)
where:
Base-Base interactions energy: -1599.853
where: short stacking energy: -671.165
Base-Backbone interact. energy: -2.490
local terms energy: -646.148762
where:
bonds (distance) C4'-P energy: -124.393
bonds (distance) P-C4' energy: -105.661
flat angles C4'-P-C4' energy: -126.614
flat angles P-C4'-P energy: -82.794
tors. eta vs tors. theta energy: -206.688
Dist. restrs. and SS energy: 13.582 (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: 1
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -2219.149149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.149149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.641680 (E_RNA)
where:
Base-Base interactions energy: -1572.589
where: short stacking energy: -660.560
Base-Backbone interact. energy: 0.769
local terms energy: -653.821727
where:
bonds (distance) C4'-P energy: -107.494
bonds (distance) P-C4' energy: -122.021
flat angles C4'-P-C4' energy: -136.966
flat angles P-C4'-P energy: -96.367
tors. eta vs tors. theta energy: -190.974
Dist. restrs. and SS energy: 6.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -2071.333736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.333736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.946994 (E_RNA)
where:
Base-Base interactions energy: -1497.941
where: short stacking energy: -613.529
Base-Backbone interact. energy: -1.218
local terms energy: -584.787072
where:
bonds (distance) C4'-P energy: -109.962
bonds (distance) P-C4' energy: -111.180
flat angles C4'-P-C4' energy: -126.161
flat angles P-C4'-P energy: -70.074
tors. eta vs tors. theta energy: -167.409
Dist. restrs. and SS energy: 12.613 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -1933.071974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.071974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.017595 (E_RNA)
where:
Base-Base interactions energy: -1407.286
where: short stacking energy: -551.599
Base-Backbone interact. energy: -1.455
local terms energy: -542.275972
where:
bonds (distance) C4'-P energy: -74.383
bonds (distance) P-C4' energy: -124.576
flat angles C4'-P-C4' energy: -122.907
flat angles P-C4'-P energy: -76.960
tors. eta vs tors. theta energy: -143.450
Dist. restrs. and SS energy: 17.946 (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: 3
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -2815.980726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2815.980726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.771320 (E_RNA)
where:
Base-Base interactions energy: -1965.826
where: short stacking energy: -818.868
Base-Backbone interact. energy: -4.065
local terms energy: -848.880173
where:
bonds (distance) C4'-P energy: -159.184
bonds (distance) P-C4' energy: -139.946
flat angles C4'-P-C4' energy: -173.774
flat angles P-C4'-P energy: -118.932
tors. eta vs tors. theta energy: -257.044
Dist. restrs. and SS energy: 2.791 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -2695.532115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.532115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.902441 (E_RNA)
where:
Base-Base interactions energy: -1887.384
where: short stacking energy: -798.621
Base-Backbone interact. energy: -1.751
local terms energy: -809.767100
where:
bonds (distance) C4'-P energy: -133.312
bonds (distance) P-C4' energy: -133.150
flat angles C4'-P-C4' energy: -167.554
flat angles P-C4'-P energy: -130.589
tors. eta vs tors. theta energy: -245.162
Dist. restrs. and SS energy: 3.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -2615.938439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.938439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.195555 (E_RNA)
where:
Base-Base interactions energy: -1821.517
where: short stacking energy: -787.719
Base-Backbone interact. energy: -0.969
local terms energy: -798.709768
where:
bonds (distance) C4'-P energy: -134.888
bonds (distance) P-C4' energy: -138.141
flat angles C4'-P-C4' energy: -165.804
flat angles P-C4'-P energy: -116.234
tors. eta vs tors. theta energy: -243.644
Dist. restrs. and SS energy: 5.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -2499.953035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.953035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.979744 (E_RNA)
where:
Base-Base interactions energy: -1754.361
where: short stacking energy: -741.748
Base-Backbone interact. energy: -3.298
local terms energy: -750.319968
where:
bonds (distance) C4'-P energy: -116.521
bonds (distance) P-C4' energy: -131.856
flat angles C4'-P-C4' energy: -168.336
flat angles P-C4'-P energy: -103.705
tors. eta vs tors. theta energy: -229.902
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: 5, replica: 2
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -2491.310743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.310743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.163929 (E_RNA)
where:
Base-Base interactions energy: -1729.769
where: short stacking energy: -748.199
Base-Backbone interact. energy: -0.785
local terms energy: -764.610053
where:
bonds (distance) C4'-P energy: -138.549
bonds (distance) P-C4' energy: -125.177
flat angles C4'-P-C4' energy: -155.196
flat angles P-C4'-P energy: -117.498
tors. eta vs tors. theta energy: -228.191
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: 6, replica: 5
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -2372.634257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.634257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.644250 (E_RNA)
where:
Base-Base interactions energy: -1651.818
where: short stacking energy: -693.113
Base-Backbone interact. energy: -0.666
local terms energy: -733.160319
where:
bonds (distance) C4'-P energy: -121.606
bonds (distance) P-C4' energy: -129.629
flat angles C4'-P-C4' energy: -157.404
flat angles P-C4'-P energy: -110.587
tors. eta vs tors. theta energy: -213.934
Dist. restrs. and SS energy: 13.010 (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: 9
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -2288.287757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.287757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.891691 (E_RNA)
where:
Base-Base interactions energy: -1599.999
where: short stacking energy: -658.706
Base-Backbone interact. energy: -0.736
local terms energy: -700.156469
where:
bonds (distance) C4'-P energy: -130.232
bonds (distance) P-C4' energy: -123.833
flat angles C4'-P-C4' energy: -154.279
flat angles P-C4'-P energy: -89.392
tors. eta vs tors. theta energy: -202.420
Dist. restrs. and SS energy: 12.604 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -2194.637564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.637564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.972124 (E_RNA)
where:
Base-Base interactions energy: -1558.556
where: short stacking energy: -647.747
Base-Backbone interact. energy: 5.502
local terms energy: -647.917618
where:
bonds (distance) C4'-P energy: -117.913
bonds (distance) P-C4' energy: -109.448
flat angles C4'-P-C4' energy: -145.249
flat angles P-C4'-P energy: -86.341
tors. eta vs tors. theta energy: -188.968
Dist. restrs. and SS energy: 6.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -2143.633998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.633998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.957364 (E_RNA)
where:
Base-Base interactions energy: -1495.264
where: short stacking energy: -634.971
Base-Backbone interact. energy: -1.780
local terms energy: -659.913664
where:
bonds (distance) C4'-P energy: -130.820
bonds (distance) P-C4' energy: -131.187
flat angles C4'-P-C4' energy: -130.095
flat angles P-C4'-P energy: -85.245
tors. eta vs tors. theta energy: -182.566
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: 10, replica: 7
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -1950.537476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.537476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.204142 (E_RNA)
where:
Base-Base interactions energy: -1409.091
where: short stacking energy: -572.517
Base-Backbone interact. energy: -0.474
local terms energy: -556.638629
where:
bonds (distance) C4'-P energy: -105.906
bonds (distance) P-C4' energy: -101.310
flat angles C4'-P-C4' energy: -115.079
flat angles P-C4'-P energy: -77.315
tors. eta vs tors. theta energy: -157.029
Dist. restrs. and SS energy: 15.667 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -2800.693007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.693007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.635492 (E_RNA)
where:
Base-Base interactions energy: -1953.971
where: short stacking energy: -805.973
Base-Backbone interact. energy: -5.022
local terms energy: -844.642122
where:
bonds (distance) C4'-P energy: -154.664
bonds (distance) P-C4' energy: -149.525
flat angles C4'-P-C4' energy: -172.450
flat angles P-C4'-P energy: -114.768
tors. eta vs tors. theta energy: -253.235
Dist. restrs. and SS energy: 2.942 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -2658.086904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.086904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.530222 (E_RNA)
where:
Base-Base interactions energy: -1847.471
where: short stacking energy: -796.164
Base-Backbone interact. energy: 1.257
local terms energy: -817.315796
where:
bonds (distance) C4'-P energy: -139.003
bonds (distance) P-C4' energy: -145.341
flat angles C4'-P-C4' energy: -170.848
flat angles P-C4'-P energy: -122.089
tors. eta vs tors. theta energy: -240.036
Dist. restrs. and SS energy: 5.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -2620.326925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.326925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.773907 (E_RNA)
where:
Base-Base interactions energy: -1817.791
where: short stacking energy: -787.076
Base-Backbone interact. energy: -1.297
local terms energy: -805.686160
where:
bonds (distance) C4'-P energy: -135.218
bonds (distance) P-C4' energy: -140.252
flat angles C4'-P-C4' energy: -170.114
flat angles P-C4'-P energy: -113.387
tors. eta vs tors. theta energy: -246.715
Dist. restrs. and SS energy: 4.447 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -2605.809980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.809980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.641937 (E_RNA)
where:
Base-Base interactions energy: -1823.831
where: short stacking energy: -806.065
Base-Backbone interact. energy: -1.960
local terms energy: -782.850783
where:
bonds (distance) C4'-P energy: -125.432
bonds (distance) P-C4' energy: -143.367
flat angles C4'-P-C4' energy: -169.832
flat angles P-C4'-P energy: -110.646
tors. eta vs tors. theta energy: -233.574
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: 5, replica: 6
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -2423.905138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.905138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.627113 (E_RNA)
where:
Base-Base interactions energy: -1716.311
where: short stacking energy: -740.499
Base-Backbone interact. energy: 6.693
local terms energy: -721.009081
where:
bonds (distance) C4'-P energy: -126.169
bonds (distance) P-C4' energy: -117.460
flat angles C4'-P-C4' energy: -166.576
flat angles P-C4'-P energy: -93.255
tors. eta vs tors. theta energy: -217.549
Dist. restrs. and SS energy: 6.722 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -2372.875205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.875205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.662338 (E_RNA)
where:
Base-Base interactions energy: -1671.980
where: short stacking energy: -707.672
Base-Backbone interact. energy: -3.818
local terms energy: -705.863820
where:
bonds (distance) C4'-P energy: -109.906
bonds (distance) P-C4' energy: -136.533
flat angles C4'-P-C4' energy: -152.662
flat angles P-C4'-P energy: -103.342
tors. eta vs tors. theta energy: -203.421
Dist. restrs. and SS energy: 8.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -2286.007229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.007229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.356032 (E_RNA)
where:
Base-Base interactions energy: -1609.193
where: short stacking energy: -652.740
Base-Backbone interact. energy: -2.369
local terms energy: -687.794769
where:
bonds (distance) C4'-P energy: -116.100
bonds (distance) P-C4' energy: -114.169
flat angles C4'-P-C4' energy: -153.365
flat angles P-C4'-P energy: -104.314
tors. eta vs tors. theta energy: -199.848
Dist. restrs. and SS energy: 13.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -2194.550923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.550923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.266117 (E_RNA)
where:
Base-Base interactions energy: -1565.991
where: short stacking energy: -671.062
Base-Backbone interact. energy: -2.954
local terms energy: -637.321889
where:
bonds (distance) C4'-P energy: -99.308
bonds (distance) P-C4' energy: -121.680
flat angles C4'-P-C4' energy: -127.448
flat angles P-C4'-P energy: -94.913
tors. eta vs tors. theta energy: -193.972
Dist. restrs. and SS energy: 11.715 (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: 4
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -2076.774695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.774695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.394482 (E_RNA)
where:
Base-Base interactions energy: -1456.073
where: short stacking energy: -589.889
Base-Backbone interact. energy: 2.996
local terms energy: -634.317674
where:
bonds (distance) C4'-P energy: -112.694
bonds (distance) P-C4' energy: -119.832
flat angles C4'-P-C4' energy: -142.011
flat angles P-C4'-P energy: -87.587
tors. eta vs tors. theta energy: -172.195
Dist. restrs. and SS energy: 10.620 (S_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: 365
Temperature: 1.350000
Total energy: -1978.868214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.868214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.041180 (E_RNA)
where:
Base-Base interactions energy: -1417.090
where: short stacking energy: -577.295
Base-Backbone interact. energy: -2.636
local terms energy: -579.314403
where:
bonds (distance) C4'-P energy: -104.996
bonds (distance) P-C4' energy: -98.939
flat angles C4'-P-C4' energy: -128.403
flat angles P-C4'-P energy: -75.452
tors. eta vs tors. theta energy: -171.525
Dist. restrs. and SS energy: 20.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -2808.886070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.886070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.624695 (E_RNA)
where:
Base-Base interactions energy: -1962.271
where: short stacking energy: -857.125
Base-Backbone interact. energy: 0.815
local terms energy: -849.168690
where:
bonds (distance) C4'-P energy: -156.422
bonds (distance) P-C4' energy: -140.429
flat angles C4'-P-C4' energy: -175.617
flat angles P-C4'-P energy: -113.123
tors. eta vs tors. theta energy: -263.577
Dist. restrs. and SS energy: 1.739 (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: 366
Temperature: 0.950000
Total energy: -2666.670589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.670589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.013300 (E_RNA)
where:
Base-Base interactions energy: -1832.024
where: short stacking energy: -783.374
Base-Backbone interact. energy: -3.360
local terms energy: -835.629454
where:
bonds (distance) C4'-P energy: -151.212
bonds (distance) P-C4' energy: -143.508
flat angles C4'-P-C4' energy: -177.069
flat angles P-C4'-P energy: -122.054
tors. eta vs tors. theta energy: -241.786
Dist. restrs. and SS energy: 4.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -2606.678239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.678239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.209285 (E_RNA)
where:
Base-Base interactions energy: -1815.468
where: short stacking energy: -753.999
Base-Backbone interact. energy: -3.324
local terms energy: -792.417370
where:
bonds (distance) C4'-P energy: -134.804
bonds (distance) P-C4' energy: -142.796
flat angles C4'-P-C4' energy: -169.190
flat angles P-C4'-P energy: -112.968
tors. eta vs tors. theta energy: -232.660
Dist. restrs. and SS energy: 4.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -2577.278079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.278079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.320148 (E_RNA)
where:
Base-Base interactions energy: -1827.959
where: short stacking energy: -774.911
Base-Backbone interact. energy: -3.036
local terms energy: -751.324745
where:
bonds (distance) C4'-P energy: -139.958
bonds (distance) P-C4' energy: -126.421
flat angles C4'-P-C4' energy: -158.319
flat angles P-C4'-P energy: -94.345
tors. eta vs tors. theta energy: -232.281
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: 5, replica: 6
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -2410.436443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.436443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.575081 (E_RNA)
where:
Base-Base interactions energy: -1668.577
where: short stacking energy: -695.486
Base-Backbone interact. energy: 1.770
local terms energy: -754.768443
where:
bonds (distance) C4'-P energy: -125.537
bonds (distance) P-C4' energy: -154.158
flat angles C4'-P-C4' energy: -152.606
flat angles P-C4'-P energy: -112.241
tors. eta vs tors. theta energy: -210.226
Dist. restrs. and SS energy: 11.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -2403.111515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.111515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.405488 (E_RNA)
where:
Base-Base interactions energy: -1706.337
where: short stacking energy: -708.470
Base-Backbone interact. energy: -3.158
local terms energy: -697.910536
where:
bonds (distance) C4'-P energy: -107.430
bonds (distance) P-C4' energy: -125.653
flat angles C4'-P-C4' energy: -165.355
flat angles P-C4'-P energy: -97.803
tors. eta vs tors. theta energy: -201.669
Dist. restrs. and SS energy: 4.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -2259.518186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.518186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.761549 (E_RNA)
where:
Base-Base interactions energy: -1582.127
where: short stacking energy: -658.103
Base-Backbone interact. energy: -1.221
local terms energy: -686.414089
where:
bonds (distance) C4'-P energy: -139.883
bonds (distance) P-C4' energy: -131.973
flat angles C4'-P-C4' energy: -140.686
flat angles P-C4'-P energy: -80.465
tors. eta vs tors. theta energy: -193.407
Dist. restrs. and SS energy: 10.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -2216.807170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.807170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.954510 (E_RNA)
where:
Base-Base interactions energy: -1560.886
where: short stacking energy: -642.062
Base-Backbone interact. energy: -2.898
local terms energy: -663.170169
where:
bonds (distance) C4'-P energy: -122.339
bonds (distance) P-C4' energy: -109.631
flat angles C4'-P-C4' energy: -154.260
flat angles P-C4'-P energy: -81.701
tors. eta vs tors. theta energy: -195.240
Dist. restrs. and SS energy: 10.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -2082.510684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.510684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.756896 (E_RNA)
where:
Base-Base interactions energy: -1452.375
where: short stacking energy: -613.021
Base-Backbone interact. energy: -5.202
local terms energy: -654.180345
where:
bonds (distance) C4'-P energy: -103.911
bonds (distance) P-C4' energy: -128.193
flat angles C4'-P-C4' energy: -145.775
flat angles P-C4'-P energy: -92.702
tors. eta vs tors. theta energy: -183.598
Dist. restrs. and SS energy: 29.246 (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: 4
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -2041.988977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.988977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.760551 (E_RNA)
where:
Base-Base interactions energy: -1472.630
where: short stacking energy: -616.939
Base-Backbone interact. energy: 1.132
local terms energy: -584.262148
where:
bonds (distance) C4'-P energy: -88.589
bonds (distance) P-C4' energy: -106.855
flat angles C4'-P-C4' energy: -136.692
flat angles P-C4'-P energy: -77.490
tors. eta vs tors. theta energy: -174.636
Dist. restrs. and SS energy: 13.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -2813.072225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.072225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.819359 (E_RNA)
where:
Base-Base interactions energy: -1955.148
where: short stacking energy: -818.150
Base-Backbone interact. energy: -7.410
local terms energy: -852.260568
where:
bonds (distance) C4'-P energy: -156.828
bonds (distance) P-C4' energy: -142.865
flat angles C4'-P-C4' energy: -167.469
flat angles P-C4'-P energy: -128.348
tors. eta vs tors. theta energy: -256.751
Dist. restrs. and SS energy: 1.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -2671.845267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.845267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.368878 (E_RNA)
where:
Base-Base interactions energy: -1873.054
where: short stacking energy: -793.958
Base-Backbone interact. energy: -2.775
local terms energy: -804.539942
where:
bonds (distance) C4'-P energy: -142.962
bonds (distance) P-C4' energy: -128.690
flat angles C4'-P-C4' energy: -165.457
flat angles P-C4'-P energy: -121.174
tors. eta vs tors. theta energy: -246.257
Dist. restrs. and SS energy: 8.524 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -2608.210176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.210176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.010476 (E_RNA)
where:
Base-Base interactions energy: -1808.545
where: short stacking energy: -785.357
Base-Backbone interact. energy: -2.062
local terms energy: -800.402768
where:
bonds (distance) C4'-P energy: -130.852
bonds (distance) P-C4' energy: -139.025
flat angles C4'-P-C4' energy: -166.229
flat angles P-C4'-P energy: -119.287
tors. eta vs tors. theta energy: -245.010
Dist. restrs. and SS energy: 2.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -2602.334145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.334145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.540403 (E_RNA)
where:
Base-Base interactions energy: -1830.138
where: short stacking energy: -781.969
Base-Backbone interact. energy: 0.260
local terms energy: -777.663221
where:
bonds (distance) C4'-P energy: -145.094
bonds (distance) P-C4' energy: -125.868
flat angles C4'-P-C4' energy: -164.033
flat angles P-C4'-P energy: -111.227
tors. eta vs tors. theta energy: -231.441
Dist. restrs. and SS energy: 5.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -2407.230831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.230831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.149817 (E_RNA)
where:
Base-Base interactions energy: -1698.646
where: short stacking energy: -705.608
Base-Backbone interact. energy: 1.615
local terms energy: -721.119299
where:
bonds (distance) C4'-P energy: -125.014
bonds (distance) P-C4' energy: -138.049
flat angles C4'-P-C4' energy: -144.965
flat angles P-C4'-P energy: -105.643
tors. eta vs tors. theta energy: -207.448
Dist. restrs. and SS energy: 10.919 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -2321.584936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.584936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.978826 (E_RNA)
where:
Base-Base interactions energy: -1624.528
where: short stacking energy: -678.073
Base-Backbone interact. energy: -2.690
local terms energy: -704.760420
where:
bonds (distance) C4'-P energy: -126.508
bonds (distance) P-C4' energy: -137.228
flat angles C4'-P-C4' energy: -129.438
flat angles P-C4'-P energy: -111.514
tors. eta vs tors. theta energy: -200.072
Dist. restrs. and SS energy: 10.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -2294.103531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.103531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.702905 (E_RNA)
where:
Base-Base interactions energy: -1640.681
where: short stacking energy: -676.391
Base-Backbone interact. energy: -1.360
local terms energy: -663.662020
where:
bonds (distance) C4'-P energy: -121.810
bonds (distance) P-C4' energy: -125.339
flat angles C4'-P-C4' energy: -130.156
flat angles P-C4'-P energy: -88.809
tors. eta vs tors. theta energy: -197.548
Dist. restrs. and SS energy: 11.599 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -2159.560407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.560407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.558562 (E_RNA)
where:
Base-Base interactions energy: -1523.387
where: short stacking energy: -630.901
Base-Backbone interact. energy: -1.994
local terms energy: -642.177915
where:
bonds (distance) C4'-P energy: -118.763
bonds (distance) P-C4' energy: -112.840
flat angles C4'-P-C4' energy: -139.876
flat angles P-C4'-P energy: -96.994
tors. eta vs tors. theta energy: -173.705
Dist. restrs. and SS energy: 7.998 (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: 7
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -2062.382929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.382929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.524058 (E_RNA)
where:
Base-Base interactions energy: -1434.067
where: short stacking energy: -587.056
Base-Backbone interact. energy: -1.986
local terms energy: -649.471403
where:
bonds (distance) C4'-P energy: -121.854
bonds (distance) P-C4' energy: -112.372
flat angles C4'-P-C4' energy: -150.939
flat angles P-C4'-P energy: -87.496
tors. eta vs tors. theta energy: -176.810
Dist. restrs. and SS energy: 23.141 (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: 4
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -1981.750091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.750091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.640295 (E_RNA)
where:
Base-Base interactions energy: -1435.435
where: short stacking energy: -591.448
Base-Backbone interact. energy: -1.254
local terms energy: -558.951569
where:
bonds (distance) C4'-P energy: -92.481
bonds (distance) P-C4' energy: -103.321
flat angles C4'-P-C4' energy: -120.472
flat angles P-C4'-P energy: -80.616
tors. eta vs tors. theta energy: -162.061
Dist. restrs. and SS energy: 13.890 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -2784.181837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.181837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.032596 (E_RNA)
where:
Base-Base interactions energy: -1948.365
where: short stacking energy: -820.195
Base-Backbone interact. energy: -3.219
local terms energy: -834.447785
where:
bonds (distance) C4'-P energy: -137.752
bonds (distance) P-C4' energy: -153.334
flat angles C4'-P-C4' energy: -174.133
flat angles P-C4'-P energy: -120.775
tors. eta vs tors. theta energy: -248.454
Dist. restrs. and SS energy: 1.851 (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: 368
Temperature: 0.950000
Total energy: -2674.163116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.163116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.367541 (E_RNA)
where:
Base-Base interactions energy: -1864.837
where: short stacking energy: -786.710
Base-Backbone interact. energy: -1.837
local terms energy: -812.694013
where:
bonds (distance) C4'-P energy: -153.740
bonds (distance) P-C4' energy: -140.518
flat angles C4'-P-C4' energy: -165.583
flat angles P-C4'-P energy: -110.616
tors. eta vs tors. theta energy: -242.237
Dist. restrs. and SS energy: 5.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -2617.255904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.255904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.596969 (E_RNA)
where:
Base-Base interactions energy: -1826.229
where: short stacking energy: -775.392
Base-Backbone interact. energy: 1.347
local terms energy: -794.715856
where:
bonds (distance) C4'-P energy: -145.444
bonds (distance) P-C4' energy: -144.517
flat angles C4'-P-C4' energy: -167.583
flat angles P-C4'-P energy: -111.422
tors. eta vs tors. theta energy: -225.749
Dist. restrs. and SS energy: 2.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -2606.828838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.828838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.600730 (E_RNA)
where:
Base-Base interactions energy: -1839.312
where: short stacking energy: -776.118
Base-Backbone interact. energy: -1.918
local terms energy: -769.370475
where:
bonds (distance) C4'-P energy: -129.094
bonds (distance) P-C4' energy: -118.836
flat angles C4'-P-C4' energy: -174.668
flat angles P-C4'-P energy: -103.776
tors. eta vs tors. theta energy: -242.997
Dist. restrs. and SS energy: 3.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -2388.541931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.541931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.547764 (E_RNA)
where:
Base-Base interactions energy: -1685.031
where: short stacking energy: -685.232
Base-Backbone interact. energy: 1.557
local terms energy: -713.074085
where:
bonds (distance) C4'-P energy: -150.339
bonds (distance) P-C4' energy: -120.212
flat angles C4'-P-C4' energy: -153.455
flat angles P-C4'-P energy: -87.455
tors. eta vs tors. theta energy: -201.613
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: 6, replica: 9
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -2333.979656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.979656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.206638 (E_RNA)
where:
Base-Base interactions energy: -1646.990
where: short stacking energy: -702.160
Base-Backbone interact. energy: -2.837
local terms energy: -690.379743
where:
bonds (distance) C4'-P energy: -118.083
bonds (distance) P-C4' energy: -132.154
flat angles C4'-P-C4' energy: -153.665
flat angles P-C4'-P energy: -78.237
tors. eta vs tors. theta energy: -208.241
Dist. restrs. and SS energy: 6.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -2324.404235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.404235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.724184 (E_RNA)
where:
Base-Base interactions energy: -1652.192
where: short stacking energy: -682.299
Base-Backbone interact. energy: 0.100
local terms energy: -681.632210
where:
bonds (distance) C4'-P energy: -127.496
bonds (distance) P-C4' energy: -110.517
flat angles C4'-P-C4' energy: -140.784
flat angles P-C4'-P energy: -102.102
tors. eta vs tors. theta energy: -200.733
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: 8, replica: 1
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -2177.007032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.007032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.927105 (E_RNA)
where:
Base-Base interactions energy: -1515.709
where: short stacking energy: -633.537
Base-Backbone interact. energy: -5.087
local terms energy: -664.130847
where:
bonds (distance) C4'-P energy: -130.361
bonds (distance) P-C4' energy: -105.128
flat angles C4'-P-C4' energy: -145.366
flat angles P-C4'-P energy: -102.396
tors. eta vs tors. theta energy: -180.879
Dist. restrs. and SS energy: 7.920 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -2138.956569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.956569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.385526 (E_RNA)
where:
Base-Base interactions energy: -1502.210
where: short stacking energy: -611.758
Base-Backbone interact. energy: 2.834
local terms energy: -650.009354
where:
bonds (distance) C4'-P energy: -123.037
bonds (distance) P-C4' energy: -97.956
flat angles C4'-P-C4' energy: -142.702
flat angles P-C4'-P energy: -103.101
tors. eta vs tors. theta energy: -183.214
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: 10, replica: 7
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -2005.927322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.927322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.144300 (E_RNA)
where:
Base-Base interactions energy: -1410.159
where: short stacking energy: -585.731
Base-Backbone interact. energy: 5.508
local terms energy: -630.493519
where:
bonds (distance) C4'-P energy: -116.633
bonds (distance) P-C4' energy: -109.497
flat angles C4'-P-C4' energy: -125.668
flat angles P-C4'-P energy: -95.588
tors. eta vs tors. theta energy: -183.107
Dist. restrs. and SS energy: 29.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -2792.535815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2792.535815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.015677 (E_RNA)
where:
Base-Base interactions energy: -1964.628
where: short stacking energy: -814.662
Base-Backbone interact. energy: -3.652
local terms energy: -828.735256
where:
bonds (distance) C4'-P energy: -139.750
bonds (distance) P-C4' energy: -144.385
flat angles C4'-P-C4' energy: -171.532
flat angles P-C4'-P energy: -114.847
tors. eta vs tors. theta energy: -258.222
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: 2, replica: 8
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -2699.633138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.633138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.263683 (E_RNA)
where:
Base-Base interactions energy: -1895.564
where: short stacking energy: -826.709
Base-Backbone interact. energy: -3.497
local terms energy: -806.202330
where:
bonds (distance) C4'-P energy: -115.558
bonds (distance) P-C4' energy: -150.653
flat angles C4'-P-C4' energy: -171.882
flat angles P-C4'-P energy: -123.003
tors. eta vs tors. theta energy: -245.107
Dist. restrs. and SS energy: 5.631 (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: 2
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -2556.113715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.113715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.121751 (E_RNA)
where:
Base-Base interactions energy: -1791.429
where: short stacking energy: -759.828
Base-Backbone interact. energy: -0.068
local terms energy: -767.624742
where:
bonds (distance) C4'-P energy: -135.995
bonds (distance) P-C4' energy: -132.543
flat angles C4'-P-C4' energy: -171.241
flat angles P-C4'-P energy: -106.187
tors. eta vs tors. theta energy: -221.659
Dist. restrs. and SS energy: 3.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -2604.021838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.021838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.214771 (E_RNA)
where:
Base-Base interactions energy: -1846.838
where: short stacking energy: -774.478
Base-Backbone interact. energy: 3.059
local terms energy: -763.435508
where:
bonds (distance) C4'-P energy: -133.463
bonds (distance) P-C4' energy: -111.718
flat angles C4'-P-C4' energy: -157.194
flat angles P-C4'-P energy: -111.562
tors. eta vs tors. theta energy: -249.498
Dist. restrs. and SS energy: 3.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -2422.714540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.714540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.256315 (E_RNA)
where:
Base-Base interactions energy: -1720.648
where: short stacking energy: -730.693
Base-Backbone interact. energy: -2.771
local terms energy: -708.837959
where:
bonds (distance) C4'-P energy: -117.080
bonds (distance) P-C4' energy: -134.492
flat angles C4'-P-C4' energy: -150.097
flat angles P-C4'-P energy: -106.116
tors. eta vs tors. theta energy: -201.052
Dist. restrs. and SS energy: 9.542 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -2301.202589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.202589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.642845 (E_RNA)
where:
Base-Base interactions energy: -1608.037
where: short stacking energy: -668.345
Base-Backbone interact. energy: 0.256
local terms energy: -703.862274
where:
bonds (distance) C4'-P energy: -125.220
bonds (distance) P-C4' energy: -136.235
flat angles C4'-P-C4' energy: -156.006
flat angles P-C4'-P energy: -86.136
tors. eta vs tors. theta energy: -200.265
Dist. restrs. and SS energy: 10.440 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -2271.067126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.067126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.213321 (E_RNA)
where:
Base-Base interactions energy: -1601.081
where: short stacking energy: -684.461
Base-Backbone interact. energy: -0.249
local terms energy: -677.882570
where:
bonds (distance) C4'-P energy: -110.143
bonds (distance) P-C4' energy: -137.961
flat angles C4'-P-C4' energy: -133.099
flat angles P-C4'-P energy: -96.375
tors. eta vs tors. theta energy: -200.304
Dist. restrs. and SS energy: 8.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -2166.137943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.137943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.287310 (E_RNA)
where:
Base-Base interactions energy: -1530.819
where: short stacking energy: -632.618
Base-Backbone interact. energy: 4.271
local terms energy: -650.738649
where:
bonds (distance) C4'-P energy: -111.151
bonds (distance) P-C4' energy: -138.521
flat angles C4'-P-C4' energy: -139.995
flat angles P-C4'-P energy: -79.377
tors. eta vs tors. theta energy: -181.695
Dist. restrs. and SS energy: 11.149 (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: 1
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -2182.878134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.878134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.079316 (E_RNA)
where:
Base-Base interactions energy: -1519.961
where: short stacking energy: -631.281
Base-Backbone interact. energy: 1.155
local terms energy: -671.273221
where:
bonds (distance) C4'-P energy: -118.676
bonds (distance) P-C4' energy: -124.867
flat angles C4'-P-C4' energy: -147.586
flat angles P-C4'-P energy: -92.710
tors. eta vs tors. theta energy: -187.433
Dist. restrs. and SS energy: 7.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -1933.022124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.022124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.386138 (E_RNA)
where:
Base-Base interactions energy: -1408.128
where: short stacking energy: -584.439
Base-Backbone interact. energy: 6.833
local terms energy: -566.091729
where:
bonds (distance) C4'-P energy: -112.517
bonds (distance) P-C4' energy: -104.104
flat angles C4'-P-C4' energy: -133.279
flat angles P-C4'-P energy: -63.444
tors. eta vs tors. theta energy: -152.749
Dist. restrs. and SS energy: 34.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -2796.173826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.173826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.126278 (E_RNA)
where:
Base-Base interactions energy: -1964.119
where: short stacking energy: -826.425
Base-Backbone interact. energy: -0.032
local terms energy: -835.974622
where:
bonds (distance) C4'-P energy: -145.509
bonds (distance) P-C4' energy: -156.295
flat angles C4'-P-C4' energy: -170.378
flat angles P-C4'-P energy: -119.998
tors. eta vs tors. theta energy: -243.796
Dist. restrs. and SS energy: 3.952 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -2681.126479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.126479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.456448 (E_RNA)
where:
Base-Base interactions energy: -1867.596
where: short stacking energy: -776.050
Base-Backbone interact. energy: -1.931
local terms energy: -817.929337
where:
bonds (distance) C4'-P energy: -149.133
bonds (distance) P-C4' energy: -147.316
flat angles C4'-P-C4' energy: -165.737
flat angles P-C4'-P energy: -109.488
tors. eta vs tors. theta energy: -246.257
Dist. restrs. and SS energy: 6.330 (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: 2
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -2579.908813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.908813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.362241 (E_RNA)
where:
Base-Base interactions energy: -1798.100
where: short stacking energy: -766.698
Base-Backbone interact. energy: -3.726
local terms energy: -783.536153
where:
bonds (distance) C4'-P energy: -131.249
bonds (distance) P-C4' energy: -140.868
flat angles C4'-P-C4' energy: -176.223
flat angles P-C4'-P energy: -114.447
tors. eta vs tors. theta energy: -220.749
Dist. restrs. and SS energy: 5.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -2617.649815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.649815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.635067 (E_RNA)
where:
Base-Base interactions energy: -1841.984
where: short stacking energy: -794.465
Base-Backbone interact. energy: -1.167
local terms energy: -778.484936
where:
bonds (distance) C4'-P energy: -132.914
bonds (distance) P-C4' energy: -117.325
flat angles C4'-P-C4' energy: -172.577
flat angles P-C4'-P energy: -110.807
tors. eta vs tors. theta energy: -244.862
Dist. restrs. and SS energy: 3.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -2428.669368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.669368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.906037 (E_RNA)
where:
Base-Base interactions energy: -1697.149
where: short stacking energy: -689.356
Base-Backbone interact. energy: -2.251
local terms energy: -734.506030
where:
bonds (distance) C4'-P energy: -128.020
bonds (distance) P-C4' energy: -145.643
flat angles C4'-P-C4' energy: -154.593
flat angles P-C4'-P energy: -103.990
tors. eta vs tors. theta energy: -202.260
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: 9
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -2312.792233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.792233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.963496 (E_RNA)
where:
Base-Base interactions energy: -1609.169
where: short stacking energy: -687.633
Base-Backbone interact. energy: -4.497
local terms energy: -715.297029
where:
bonds (distance) C4'-P energy: -123.083
bonds (distance) P-C4' energy: -136.344
flat angles C4'-P-C4' energy: -158.669
flat angles P-C4'-P energy: -105.486
tors. eta vs tors. theta energy: -191.715
Dist. restrs. and SS energy: 16.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -2266.027018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.027018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.595161 (E_RNA)
where:
Base-Base interactions energy: -1619.518
where: short stacking energy: -668.816
Base-Backbone interact. energy: -0.340
local terms energy: -651.737215
where:
bonds (distance) C4'-P energy: -108.030
bonds (distance) P-C4' energy: -120.413
flat angles C4'-P-C4' energy: -135.366
flat angles P-C4'-P energy: -98.936
tors. eta vs tors. theta energy: -188.993
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: 8, replica: 4
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -2195.189285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.189285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.547525 (E_RNA)
where:
Base-Base interactions energy: -1536.707
where: short stacking energy: -637.473
Base-Backbone interact. energy: -0.558
local terms energy: -667.283056
where:
bonds (distance) C4'-P energy: -114.538
bonds (distance) P-C4' energy: -130.004
flat angles C4'-P-C4' energy: -141.198
flat angles P-C4'-P energy: -88.207
tors. eta vs tors. theta energy: -193.335
Dist. restrs. and SS energy: 9.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -2094.855943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.855943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.347511 (E_RNA)
where:
Base-Base interactions energy: -1485.794
where: short stacking energy: -633.558
Base-Backbone interact. energy: -5.552
local terms energy: -615.001649
where:
bonds (distance) C4'-P energy: -113.128
bonds (distance) P-C4' energy: -103.519
flat angles C4'-P-C4' energy: -133.070
flat angles P-C4'-P energy: -82.329
tors. eta vs tors. theta energy: -182.956
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: 10, replica: 7
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -1922.106434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.106434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.960072 (E_RNA)
where:
Base-Base interactions energy: -1364.520
where: short stacking energy: -563.048
Base-Backbone interact. energy: -3.046
local terms energy: -595.394394
where:
bonds (distance) C4'-P energy: -121.703
bonds (distance) P-C4' energy: -112.246
flat angles C4'-P-C4' energy: -129.414
flat angles P-C4'-P energy: -82.509
tors. eta vs tors. theta energy: -149.522
Dist. restrs. and SS energy: 40.854 (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: 3
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -2784.117992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.117992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.961132 (E_RNA)
where:
Base-Base interactions energy: -1965.659
where: short stacking energy: -817.655
Base-Backbone interact. energy: -5.700
local terms energy: -817.602227
where:
bonds (distance) C4'-P energy: -145.121
bonds (distance) P-C4' energy: -144.216
flat angles C4'-P-C4' energy: -164.880
flat angles P-C4'-P energy: -123.050
tors. eta vs tors. theta energy: -240.334
Dist. restrs. and SS energy: 4.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -2670.342728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.342728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.134627 (E_RNA)
where:
Base-Base interactions energy: -1886.333
where: short stacking energy: -821.946
Base-Backbone interact. energy: -2.099
local terms energy: -786.702009
where:
bonds (distance) C4'-P energy: -128.815
bonds (distance) P-C4' energy: -140.868
flat angles C4'-P-C4' energy: -163.172
flat angles P-C4'-P energy: -105.886
tors. eta vs tors. theta energy: -247.961
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: 3, replica: 2
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -2610.111141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.111141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.547952 (E_RNA)
where:
Base-Base interactions energy: -1849.863
where: short stacking energy: -771.481
Base-Backbone interact. energy: -2.866
local terms energy: -760.819293
where:
bonds (distance) C4'-P energy: -145.646
bonds (distance) P-C4' energy: -145.987
flat angles C4'-P-C4' energy: -151.915
flat angles P-C4'-P energy: -93.666
tors. eta vs tors. theta energy: -223.605
Dist. restrs. and SS energy: 3.437 (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: 10
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -2604.799165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.799165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.781224 (E_RNA)
where:
Base-Base interactions energy: -1805.355
where: short stacking energy: -794.242
Base-Backbone interact. energy: -1.404
local terms energy: -803.022812
where:
bonds (distance) C4'-P energy: -130.569
bonds (distance) P-C4' energy: -137.100
flat angles C4'-P-C4' energy: -171.735
flat angles P-C4'-P energy: -113.581
tors. eta vs tors. theta energy: -250.038
Dist. restrs. and SS energy: 4.982 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -2392.944512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.944512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.057899 (E_RNA)
where:
Base-Base interactions energy: -1713.441
where: short stacking energy: -705.596
Base-Backbone interact. energy: -1.046
local terms energy: -686.570466
where:
bonds (distance) C4'-P energy: -116.257
bonds (distance) P-C4' energy: -114.797
flat angles C4'-P-C4' energy: -157.292
flat angles P-C4'-P energy: -99.048
tors. eta vs tors. theta energy: -199.176
Dist. restrs. and SS energy: 8.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -2325.719580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.719580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.809188 (E_RNA)
where:
Base-Base interactions energy: -1643.924
where: short stacking energy: -697.456
Base-Backbone interact. energy: 0.415
local terms energy: -685.299783
where:
bonds (distance) C4'-P energy: -103.851
bonds (distance) P-C4' energy: -138.143
flat angles C4'-P-C4' energy: -156.759
flat angles P-C4'-P energy: -92.154
tors. eta vs tors. theta energy: -194.393
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: 7, replica: 9
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -2248.568546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.568546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.500449 (E_RNA)
where:
Base-Base interactions energy: -1593.399
where: short stacking energy: -683.145
Base-Backbone interact. energy: -1.471
local terms energy: -664.630841
where:
bonds (distance) C4'-P energy: -111.272
bonds (distance) P-C4' energy: -123.844
flat angles C4'-P-C4' energy: -134.489
flat angles P-C4'-P energy: -96.303
tors. eta vs tors. theta energy: -198.722
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: 8, replica: 4
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -2190.645123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.645123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.261707 (E_RNA)
where:
Base-Base interactions energy: -1595.936
where: short stacking energy: -665.408
Base-Backbone interact. energy: -0.358
local terms energy: -601.967639
where:
bonds (distance) C4'-P energy: -87.529
bonds (distance) P-C4' energy: -112.172
flat angles C4'-P-C4' energy: -123.557
flat angles P-C4'-P energy: -86.453
tors. eta vs tors. theta energy: -192.257
Dist. restrs. and SS energy: 7.617 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -2146.380281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.380281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.944065 (E_RNA)
where:
Base-Base interactions energy: -1515.161
where: short stacking energy: -634.201
Base-Backbone interact. energy: 1.457
local terms energy: -647.239809
where:
bonds (distance) C4'-P energy: -131.956
bonds (distance) P-C4' energy: -116.190
flat angles C4'-P-C4' energy: -129.945
flat angles P-C4'-P energy: -91.261
tors. eta vs tors. theta energy: -177.888
Dist. restrs. and SS energy: 14.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -1939.451887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.451887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.939030 (E_RNA)
where:
Base-Base interactions energy: -1374.762
where: short stacking energy: -566.979
Base-Backbone interact. energy: -3.037
local terms energy: -584.139650
where:
bonds (distance) C4'-P energy: -105.904
bonds (distance) P-C4' energy: -123.002
flat angles C4'-P-C4' energy: -113.625
flat angles P-C4'-P energy: -83.865
tors. eta vs tors. theta energy: -157.743
Dist. restrs. and SS energy: 22.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -2797.582977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.582977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.750686 (E_RNA)
where:
Base-Base interactions energy: -1949.236
where: short stacking energy: -814.079
Base-Backbone interact. energy: -3.380
local terms energy: -849.134776
where:
bonds (distance) C4'-P energy: -149.427
bonds (distance) P-C4' energy: -153.577
flat angles C4'-P-C4' energy: -171.622
flat angles P-C4'-P energy: -132.364
tors. eta vs tors. theta energy: -242.145
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: 2, replica: 8
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -2694.611325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.611325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.060839 (E_RNA)
where:
Base-Base interactions energy: -1884.267
where: short stacking energy: -792.929
Base-Backbone interact. energy: -4.081
local terms energy: -810.712213
where:
bonds (distance) C4'-P energy: -135.870
bonds (distance) P-C4' energy: -149.694
flat angles C4'-P-C4' energy: -167.270
flat angles P-C4'-P energy: -117.321
tors. eta vs tors. theta energy: -240.557
Dist. restrs. and SS energy: 4.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -2588.065154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.065154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.550342 (E_RNA)
where:
Base-Base interactions energy: -1795.810
where: short stacking energy: -778.521
Base-Backbone interact. energy: -2.407
local terms energy: -792.333925
where:
bonds (distance) C4'-P energy: -151.979
bonds (distance) P-C4' energy: -152.171
flat angles C4'-P-C4' energy: -158.884
flat angles P-C4'-P energy: -105.794
tors. eta vs tors. theta energy: -223.505
Dist. restrs. and SS energy: 2.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -2586.791231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.791231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.264855 (E_RNA)
where:
Base-Base interactions energy: -1806.403
where: short stacking energy: -768.348
Base-Backbone interact. energy: -2.011
local terms energy: -783.850758
where:
bonds (distance) C4'-P energy: -125.501
bonds (distance) P-C4' energy: -136.438
flat angles C4'-P-C4' energy: -162.344
flat angles P-C4'-P energy: -114.262
tors. eta vs tors. theta energy: -245.305
Dist. restrs. and SS energy: 5.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -2457.403832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.403832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.440323 (E_RNA)
where:
Base-Base interactions energy: -1696.920
where: short stacking energy: -705.435
Base-Backbone interact. energy: -0.542
local terms energy: -763.978312
where:
bonds (distance) C4'-P energy: -143.145
bonds (distance) P-C4' energy: -147.874
flat angles C4'-P-C4' energy: -158.568
flat angles P-C4'-P energy: -104.052
tors. eta vs tors. theta energy: -210.340
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: 6, replica: 5
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -2362.831556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.831556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.335029 (E_RNA)
where:
Base-Base interactions energy: -1673.128
where: short stacking energy: -698.951
Base-Backbone interact. energy: -2.136
local terms energy: -693.071981
where:
bonds (distance) C4'-P energy: -119.787
bonds (distance) P-C4' energy: -114.297
flat angles C4'-P-C4' energy: -156.034
flat angles P-C4'-P energy: -92.185
tors. eta vs tors. theta energy: -210.769
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: 4
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -2279.539203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.539203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.123938 (E_RNA)
where:
Base-Base interactions energy: -1575.325
where: short stacking energy: -638.930
Base-Backbone interact. energy: -0.901
local terms energy: -712.898239
where:
bonds (distance) C4'-P energy: -117.191
bonds (distance) P-C4' energy: -132.035
flat angles C4'-P-C4' energy: -148.185
flat angles P-C4'-P energy: -109.060
tors. eta vs tors. theta energy: -206.427
Dist. restrs. and SS energy: 9.585 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -2184.824906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.824906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.101807 (E_RNA)
where:
Base-Base interactions energy: -1532.761
where: short stacking energy: -637.462
Base-Backbone interact. energy: -0.800
local terms energy: -667.539955
where:
bonds (distance) C4'-P energy: -115.748
bonds (distance) P-C4' energy: -126.414
flat angles C4'-P-C4' energy: -140.654
flat angles P-C4'-P energy: -90.656
tors. eta vs tors. theta energy: -194.067
Dist. restrs. and SS energy: 16.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -2125.229972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.229972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.993368 (E_RNA)
where:
Base-Base interactions energy: -1522.097
where: short stacking energy: -612.979
Base-Backbone interact. energy: -0.988
local terms energy: -609.907922
where:
bonds (distance) C4'-P energy: -94.342
bonds (distance) P-C4' energy: -113.070
flat angles C4'-P-C4' energy: -142.413
flat angles P-C4'-P energy: -89.111
tors. eta vs tors. theta energy: -170.972
Dist. restrs. and SS energy: 7.763 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -1982.087410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.087410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.134604 (E_RNA)
where:
Base-Base interactions energy: -1389.853
where: short stacking energy: -599.441
Base-Backbone interact. energy: -0.853
local terms energy: -613.428554
where:
bonds (distance) C4'-P energy: -110.460
bonds (distance) P-C4' energy: -100.856
flat angles C4'-P-C4' energy: -131.247
flat angles P-C4'-P energy: -94.373
tors. eta vs tors. theta energy: -176.492
Dist. restrs. and SS energy: 22.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -2795.038366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.038366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.258679 (E_RNA)
where:
Base-Base interactions energy: -1964.641
where: short stacking energy: -822.404
Base-Backbone interact. energy: -3.762
local terms energy: -829.856321
where:
bonds (distance) C4'-P energy: -140.571
bonds (distance) P-C4' energy: -141.515
flat angles C4'-P-C4' energy: -181.638
flat angles P-C4'-P energy: -109.775
tors. eta vs tors. theta energy: -256.358
Dist. restrs. and SS energy: 3.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -2707.467771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.467771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.127691 (E_RNA)
where:
Base-Base interactions energy: -1890.564
where: short stacking energy: -812.941
Base-Backbone interact. energy: -2.666
local terms energy: -816.897584
where:
bonds (distance) C4'-P energy: -138.412
bonds (distance) P-C4' energy: -151.478
flat angles C4'-P-C4' energy: -164.361
flat angles P-C4'-P energy: -120.289
tors. eta vs tors. theta energy: -242.358
Dist. restrs. and SS energy: 2.660 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -2590.506571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.506571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.645924 (E_RNA)
where:
Base-Base interactions energy: -1819.864
where: short stacking energy: -768.048
Base-Backbone interact. energy: -1.144
local terms energy: -777.637688
where:
bonds (distance) C4'-P energy: -136.387
bonds (distance) P-C4' energy: -144.878
flat angles C4'-P-C4' energy: -166.863
flat angles P-C4'-P energy: -105.213
tors. eta vs tors. theta energy: -224.297
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: 4, replica: 10
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -2575.345497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.345497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.780613 (E_RNA)
where:
Base-Base interactions energy: -1791.174
where: short stacking energy: -746.303
Base-Backbone interact. energy: -2.354
local terms energy: -785.252551
where:
bonds (distance) C4'-P energy: -132.265
bonds (distance) P-C4' energy: -159.737
flat angles C4'-P-C4' energy: -161.907
flat angles P-C4'-P energy: -110.024
tors. eta vs tors. theta energy: -221.320
Dist. restrs. and SS energy: 3.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -2433.300016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.300016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.127505 (E_RNA)
where:
Base-Base interactions energy: -1700.579
where: short stacking energy: -698.270
Base-Backbone interact. energy: 0.654
local terms energy: -740.202958
where:
bonds (distance) C4'-P energy: -131.360
bonds (distance) P-C4' energy: -131.223
flat angles C4'-P-C4' energy: -159.465
flat angles P-C4'-P energy: -118.374
tors. eta vs tors. theta energy: -199.782
Dist. restrs. and SS energy: 6.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -2341.035931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.035931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.152845 (E_RNA)
where:
Base-Base interactions energy: -1649.916
where: short stacking energy: -689.636
Base-Backbone interact. energy: -0.991
local terms energy: -693.246083
where:
bonds (distance) C4'-P energy: -125.886
bonds (distance) P-C4' energy: -116.733
flat angles C4'-P-C4' energy: -150.199
flat angles P-C4'-P energy: -92.010
tors. eta vs tors. theta energy: -208.419
Dist. restrs. and SS energy: 3.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -2277.839142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.839142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.671052 (E_RNA)
where:
Base-Base interactions energy: -1600.546
where: short stacking energy: -669.455
Base-Backbone interact. energy: 0.876
local terms energy: -688.001003
where:
bonds (distance) C4'-P energy: -115.125
bonds (distance) P-C4' energy: -125.342
flat angles C4'-P-C4' energy: -144.043
flat angles P-C4'-P energy: -90.599
tors. eta vs tors. theta energy: -212.893
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: 8, replica: 1
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -2214.465267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.465267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.387568 (E_RNA)
where:
Base-Base interactions energy: -1558.233
where: short stacking energy: -639.218
Base-Backbone interact. energy: 3.587
local terms energy: -665.741540
where:
bonds (distance) C4'-P energy: -110.522
bonds (distance) P-C4' energy: -131.003
flat angles C4'-P-C4' energy: -142.497
flat angles P-C4'-P energy: -104.341
tors. eta vs tors. theta energy: -177.378
Dist. restrs. and SS energy: 5.922 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -2160.013138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.013138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.951786 (E_RNA)
where:
Base-Base interactions energy: -1545.722
where: short stacking energy: -636.016
Base-Backbone interact. energy: -1.234
local terms energy: -628.996428
where:
bonds (distance) C4'-P energy: -103.277
bonds (distance) P-C4' energy: -113.796
flat angles C4'-P-C4' energy: -143.000
flat angles P-C4'-P energy: -87.278
tors. eta vs tors. theta energy: -181.646
Dist. restrs. and SS energy: 15.939 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -1960.805184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.805184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.169888 (E_RNA)
where:
Base-Base interactions energy: -1377.118
where: short stacking energy: -593.936
Base-Backbone interact. energy: 0.422
local terms energy: -616.474460
where:
bonds (distance) C4'-P energy: -109.888
bonds (distance) P-C4' energy: -125.308
flat angles C4'-P-C4' energy: -138.086
flat angles P-C4'-P energy: -76.538
tors. eta vs tors. theta energy: -166.655
Dist. restrs. and SS energy: 32.365 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -2793.228826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.228826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.074801 (E_RNA)
where:
Base-Base interactions energy: -1965.859
where: short stacking energy: -821.524
Base-Backbone interact. energy: 0.595
local terms energy: -831.811187
where:
bonds (distance) C4'-P energy: -144.129
bonds (distance) P-C4' energy: -139.408
flat angles C4'-P-C4' energy: -173.410
flat angles P-C4'-P energy: -123.349
tors. eta vs tors. theta energy: -251.516
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: 8
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -2692.809459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.809459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.278862 (E_RNA)
where:
Base-Base interactions energy: -1878.998
where: short stacking energy: -805.211
Base-Backbone interact. energy: -2.991
local terms energy: -814.289538
where:
bonds (distance) C4'-P energy: -132.150
bonds (distance) P-C4' energy: -135.452
flat angles C4'-P-C4' energy: -176.226
flat angles P-C4'-P energy: -120.592
tors. eta vs tors. theta energy: -249.869
Dist. restrs. and SS energy: 3.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -2622.044653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.044653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.439836 (E_RNA)
where:
Base-Base interactions energy: -1828.118
where: short stacking energy: -782.861
Base-Backbone interact. energy: 0.211
local terms energy: -798.533647
where:
bonds (distance) C4'-P energy: -141.254
bonds (distance) P-C4' energy: -130.252
flat angles C4'-P-C4' energy: -163.406
flat angles P-C4'-P energy: -119.732
tors. eta vs tors. theta energy: -243.889
Dist. restrs. and SS energy: 4.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -2564.612027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.612027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.456760 (E_RNA)
where:
Base-Base interactions energy: -1801.573
where: short stacking energy: -769.003
Base-Backbone interact. energy: -0.914
local terms energy: -764.969782
where:
bonds (distance) C4'-P energy: -128.765
bonds (distance) P-C4' energy: -146.980
flat angles C4'-P-C4' energy: -159.418
flat angles P-C4'-P energy: -110.830
tors. eta vs tors. theta energy: -218.977
Dist. restrs. and SS energy: 2.845 (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: 6
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -2426.733264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.733264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.755916 (E_RNA)
where:
Base-Base interactions energy: -1714.273
where: short stacking energy: -695.873
Base-Backbone interact. energy: -3.629
local terms energy: -714.853591
where:
bonds (distance) C4'-P energy: -127.032
bonds (distance) P-C4' energy: -128.715
flat angles C4'-P-C4' energy: -159.899
flat angles P-C4'-P energy: -97.341
tors. eta vs tors. theta energy: -201.866
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: 6, replica: 5
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -2350.818771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.818771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.365921 (E_RNA)
where:
Base-Base interactions energy: -1615.498
where: short stacking energy: -670.180
Base-Backbone interact. energy: 2.526
local terms energy: -740.393383
where:
bonds (distance) C4'-P energy: -130.316
bonds (distance) P-C4' energy: -135.335
flat angles C4'-P-C4' energy: -162.163
flat angles P-C4'-P energy: -97.351
tors. eta vs tors. theta energy: -215.230
Dist. restrs. and SS energy: 2.547 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -2253.459418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.459418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.365220 (E_RNA)
where:
Base-Base interactions energy: -1598.472
where: short stacking energy: -644.215
Base-Backbone interact. energy: -2.021
local terms energy: -665.871526
where:
bonds (distance) C4'-P energy: -92.349
bonds (distance) P-C4' energy: -136.541
flat angles C4'-P-C4' energy: -158.729
flat angles P-C4'-P energy: -79.081
tors. eta vs tors. theta energy: -199.171
Dist. restrs. and SS energy: 12.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -2231.747119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.747119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.360178 (E_RNA)
where:
Base-Base interactions energy: -1559.316
where: short stacking energy: -631.716
Base-Backbone interact. energy: -0.873
local terms energy: -677.170354
where:
bonds (distance) C4'-P energy: -111.110
bonds (distance) P-C4' energy: -139.333
flat angles C4'-P-C4' energy: -141.997
flat angles P-C4'-P energy: -96.946
tors. eta vs tors. theta energy: -187.784
Dist. restrs. and SS energy: 5.613 (S_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: 374
Temperature: 1.300000
Total energy: -2111.504216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.504216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.349259 (E_RNA)
where:
Base-Base interactions energy: -1501.820
where: short stacking energy: -624.990
Base-Backbone interact. energy: -1.588
local terms energy: -625.941217
where:
bonds (distance) C4'-P energy: -109.247
bonds (distance) P-C4' energy: -105.295
flat angles C4'-P-C4' energy: -134.779
flat angles P-C4'-P energy: -83.158
tors. eta vs tors. theta energy: -193.462
Dist. restrs. and SS energy: 17.845 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -1975.435473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.435473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.256100 (E_RNA)
where:
Base-Base interactions energy: -1406.374
where: short stacking energy: -597.818
Base-Backbone interact. energy: -2.957
local terms energy: -583.924207
where:
bonds (distance) C4'-P energy: -94.713
bonds (distance) P-C4' energy: -122.082
flat angles C4'-P-C4' energy: -127.887
flat angles P-C4'-P energy: -76.532
tors. eta vs tors. theta energy: -162.710
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: 1, replica: 3
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -2792.643931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2792.643931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.435990 (E_RNA)
where:
Base-Base interactions energy: -1954.426
where: short stacking energy: -803.644
Base-Backbone interact. energy: 0.050
local terms energy: -843.060297
where:
bonds (distance) C4'-P energy: -149.674
bonds (distance) P-C4' energy: -158.642
flat angles C4'-P-C4' energy: -169.479
flat angles P-C4'-P energy: -115.828
tors. eta vs tors. theta energy: -249.437
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: 8
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -2692.453546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.453546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.579428 (E_RNA)
where:
Base-Base interactions energy: -1897.590
where: short stacking energy: -819.424
Base-Backbone interact. energy: -4.394
local terms energy: -794.595249
where:
bonds (distance) C4'-P energy: -135.916
bonds (distance) P-C4' energy: -146.996
flat angles C4'-P-C4' energy: -161.247
flat angles P-C4'-P energy: -108.070
tors. eta vs tors. theta energy: -242.366
Dist. restrs. and SS energy: 4.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -2621.252212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.252212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.570527 (E_RNA)
where:
Base-Base interactions energy: -1827.730
where: short stacking energy: -799.608
Base-Backbone interact. energy: -3.327
local terms energy: -796.513925
where:
bonds (distance) C4'-P energy: -132.679
bonds (distance) P-C4' energy: -129.620
flat angles C4'-P-C4' energy: -171.745
flat angles P-C4'-P energy: -116.054
tors. eta vs tors. theta energy: -246.416
Dist. restrs. and SS energy: 6.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -2562.797687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.797687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.817583 (E_RNA)
where:
Base-Base interactions energy: -1787.483
where: short stacking energy: -766.345
Base-Backbone interact. energy: -1.363
local terms energy: -776.971600
where:
bonds (distance) C4'-P energy: -126.637
bonds (distance) P-C4' energy: -157.673
flat angles C4'-P-C4' energy: -159.140
flat angles P-C4'-P energy: -107.927
tors. eta vs tors. theta energy: -225.595
Dist. restrs. and SS energy: 3.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -2452.882984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.882984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.328254 (E_RNA)
where:
Base-Base interactions energy: -1734.599
where: short stacking energy: -702.534
Base-Backbone interact. energy: -2.872
local terms energy: -721.857539
where:
bonds (distance) C4'-P energy: -136.238
bonds (distance) P-C4' energy: -116.208
flat angles C4'-P-C4' energy: -156.594
flat angles P-C4'-P energy: -107.057
tors. eta vs tors. theta energy: -205.761
Dist. restrs. and SS energy: 6.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -2370.090851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.090851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.563703 (E_RNA)
where:
Base-Base interactions energy: -1655.774
where: short stacking energy: -692.639
Base-Backbone interact. energy: -3.958
local terms energy: -714.831369
where:
bonds (distance) C4'-P energy: -124.405
bonds (distance) P-C4' energy: -131.302
flat angles C4'-P-C4' energy: -155.135
flat angles P-C4'-P energy: -97.879
tors. eta vs tors. theta energy: -206.109
Dist. restrs. and SS energy: 4.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -2281.112868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.112868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.609960 (E_RNA)
where:
Base-Base interactions energy: -1577.159
where: short stacking energy: -641.712
Base-Backbone interact. energy: -2.179
local terms energy: -708.272251
where:
bonds (distance) C4'-P energy: -149.117
bonds (distance) P-C4' energy: -125.846
flat angles C4'-P-C4' energy: -149.155
flat angles P-C4'-P energy: -96.253
tors. eta vs tors. theta energy: -187.901
Dist. restrs. and SS energy: 6.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -2206.680252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.680252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.832093 (E_RNA)
where:
Base-Base interactions energy: -1558.258
where: short stacking energy: -656.158
Base-Backbone interact. energy: 0.038
local terms energy: -658.611989
where:
bonds (distance) C4'-P energy: -110.439
bonds (distance) P-C4' energy: -123.591
flat angles C4'-P-C4' energy: -142.850
flat angles P-C4'-P energy: -90.672
tors. eta vs tors. theta energy: -191.060
Dist. restrs. and SS energy: 10.152 (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: 1
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -2089.418610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.418610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.866384 (E_RNA)
where:
Base-Base interactions energy: -1494.971
where: short stacking energy: -622.707
Base-Backbone interact. energy: 1.150
local terms energy: -602.044634
where:
bonds (distance) C4'-P energy: -106.572
bonds (distance) P-C4' energy: -108.213
flat angles C4'-P-C4' energy: -129.773
flat angles P-C4'-P energy: -87.545
tors. eta vs tors. theta energy: -169.942
Dist. restrs. and SS energy: 6.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -1978.728475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.728475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.546694 (E_RNA)
where:
Base-Base interactions energy: -1399.009
where: short stacking energy: -579.510
Base-Backbone interact. energy: 2.705
local terms energy: -602.242522
where:
bonds (distance) C4'-P energy: -113.444
bonds (distance) P-C4' energy: -117.697
flat angles C4'-P-C4' energy: -127.271
flat angles P-C4'-P energy: -73.248
tors. eta vs tors. theta energy: -170.582
Dist. restrs. and SS energy: 19.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -2803.433629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.433629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.829398 (E_RNA)
where:
Base-Base interactions energy: -1956.332
where: short stacking energy: -842.221
Base-Backbone interact. energy: -2.710
local terms energy: -846.787243
where:
bonds (distance) C4'-P energy: -138.458
bonds (distance) P-C4' energy: -146.764
flat angles C4'-P-C4' energy: -176.293
flat angles P-C4'-P energy: -125.812
tors. eta vs tors. theta energy: -259.461
Dist. restrs. and SS energy: 2.396 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -2687.341991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.341991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.422054 (E_RNA)
where:
Base-Base interactions energy: -1878.836
where: short stacking energy: -811.901
Base-Backbone interact. energy: 3.470
local terms energy: -815.055823
where:
bonds (distance) C4'-P energy: -159.558
bonds (distance) P-C4' energy: -145.548
flat angles C4'-P-C4' energy: -158.524
flat angles P-C4'-P energy: -108.104
tors. eta vs tors. theta energy: -243.322
Dist. restrs. and SS energy: 3.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -2625.229182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.229182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.903503 (E_RNA)
where:
Base-Base interactions energy: -1859.105
where: short stacking energy: -791.509
Base-Backbone interact. energy: 0.852
local terms energy: -771.650959
where:
bonds (distance) C4'-P energy: -132.597
bonds (distance) P-C4' energy: -130.931
flat angles C4'-P-C4' energy: -160.533
flat angles P-C4'-P energy: -100.874
tors. eta vs tors. theta energy: -246.716
Dist. restrs. and SS energy: 4.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -2535.887110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.887110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.094965 (E_RNA)
where:
Base-Base interactions energy: -1755.806
where: short stacking energy: -759.303
Base-Backbone interact. energy: -2.363
local terms energy: -783.925753
where:
bonds (distance) C4'-P energy: -145.906
bonds (distance) P-C4' energy: -152.053
flat angles C4'-P-C4' energy: -161.802
flat angles P-C4'-P energy: -100.713
tors. eta vs tors. theta energy: -223.451
Dist. restrs. and SS energy: 6.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -2429.283976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.283976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.138463 (E_RNA)
where:
Base-Base interactions energy: -1727.182
where: short stacking energy: -731.510
Base-Backbone interact. energy: 0.031
local terms energy: -708.987975
where:
bonds (distance) C4'-P energy: -130.702
bonds (distance) P-C4' energy: -118.740
flat angles C4'-P-C4' energy: -158.210
flat angles P-C4'-P energy: -97.541
tors. eta vs tors. theta energy: -203.795
Dist. restrs. and SS energy: 6.854 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -2398.176376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.176376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.047211 (E_RNA)
where:
Base-Base interactions energy: -1663.073
where: short stacking energy: -696.648
Base-Backbone interact. energy: -4.022
local terms energy: -736.952315
where:
bonds (distance) C4'-P energy: -155.581
bonds (distance) P-C4' energy: -138.952
flat angles C4'-P-C4' energy: -141.511
flat angles P-C4'-P energy: -88.846
tors. eta vs tors. theta energy: -212.061
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: 7, replica: 9
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -2293.342310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.342310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.672789 (E_RNA)
where:
Base-Base interactions energy: -1588.205
where: short stacking energy: -669.357
Base-Backbone interact. energy: 1.265
local terms energy: -716.732793
where:
bonds (distance) C4'-P energy: -104.243
bonds (distance) P-C4' energy: -125.549
flat angles C4'-P-C4' energy: -167.086
flat angles P-C4'-P energy: -103.141
tors. eta vs tors. theta energy: -216.714
Dist. restrs. and SS energy: 10.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -2211.418842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.418842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.716343 (E_RNA)
where:
Base-Base interactions energy: -1566.477
where: short stacking energy: -624.009
Base-Backbone interact. energy: -3.098
local terms energy: -648.141459
where:
bonds (distance) C4'-P energy: -117.134
bonds (distance) P-C4' energy: -110.752
flat angles C4'-P-C4' energy: -157.838
flat angles P-C4'-P energy: -85.736
tors. eta vs tors. theta energy: -176.681
Dist. restrs. and SS energy: 6.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -2163.075993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.075993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.174753 (E_RNA)
where:
Base-Base interactions energy: -1541.280
where: short stacking energy: -633.963
Base-Backbone interact. energy: 6.283
local terms energy: -638.177508
where:
bonds (distance) C4'-P energy: -100.977
bonds (distance) P-C4' energy: -125.174
flat angles C4'-P-C4' energy: -136.143
flat angles P-C4'-P energy: -97.704
tors. eta vs tors. theta energy: -178.179
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: 10, replica: 7
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -1953.454659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.454659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.568171 (E_RNA)
where:
Base-Base interactions energy: -1343.553
where: short stacking energy: -579.578
Base-Backbone interact. energy: -3.376
local terms energy: -630.638381
where:
bonds (distance) C4'-P energy: -114.758
bonds (distance) P-C4' energy: -136.099
flat angles C4'-P-C4' energy: -111.042
flat angles P-C4'-P energy: -106.977
tors. eta vs tors. theta energy: -161.763
Dist. restrs. and SS energy: 24.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -2790.443978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.443978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.938946 (E_RNA)
where:
Base-Base interactions energy: -1946.017
where: short stacking energy: -827.168
Base-Backbone interact. energy: -5.983
local terms energy: -839.938672
where:
bonds (distance) C4'-P energy: -136.766
bonds (distance) P-C4' energy: -144.712
flat angles C4'-P-C4' energy: -172.760
flat angles P-C4'-P energy: -118.970
tors. eta vs tors. theta energy: -266.731
Dist. restrs. and SS energy: 1.495 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -2706.236226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.236226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.950585 (E_RNA)
where:
Base-Base interactions energy: -1897.362
where: short stacking energy: -791.010
Base-Backbone interact. energy: 2.855
local terms energy: -816.443210
where:
bonds (distance) C4'-P energy: -142.550
bonds (distance) P-C4' energy: -147.879
flat angles C4'-P-C4' energy: -171.656
flat angles P-C4'-P energy: -115.478
tors. eta vs tors. theta energy: -238.880
Dist. restrs. and SS energy: 4.714 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -2621.855984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.855984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.487728 (E_RNA)
where:
Base-Base interactions energy: -1869.972
where: short stacking energy: -787.147
Base-Backbone interact. energy: 0.861
local terms energy: -756.376389
where:
bonds (distance) C4'-P energy: -108.350
bonds (distance) P-C4' energy: -135.788
flat angles C4'-P-C4' energy: -165.982
flat angles P-C4'-P energy: -100.528
tors. eta vs tors. theta energy: -245.729
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: 4, replica: 2
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -2513.759614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.759614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.161103 (E_RNA)
where:
Base-Base interactions energy: -1745.193
where: short stacking energy: -759.081
Base-Backbone interact. energy: -1.976
local terms energy: -770.992240
where:
bonds (distance) C4'-P energy: -142.293
bonds (distance) P-C4' energy: -139.302
flat angles C4'-P-C4' energy: -152.251
flat angles P-C4'-P energy: -112.336
tors. eta vs tors. theta energy: -224.810
Dist. restrs. and SS energy: 4.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -2414.232490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.232490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.771965 (E_RNA)
where:
Base-Base interactions energy: -1684.372
where: short stacking energy: -718.916
Base-Backbone interact. energy: 0.753
local terms energy: -735.153647
where:
bonds (distance) C4'-P energy: -129.796
bonds (distance) P-C4' energy: -131.470
flat angles C4'-P-C4' energy: -164.240
flat angles P-C4'-P energy: -105.222
tors. eta vs tors. theta energy: -204.426
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: 6, replica: 6
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -2378.443821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.443821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.568549 (E_RNA)
where:
Base-Base interactions energy: -1665.814
where: short stacking energy: -673.732
Base-Backbone interact. energy: -1.403
local terms energy: -719.351032
where:
bonds (distance) C4'-P energy: -110.150
bonds (distance) P-C4' energy: -139.898
flat angles C4'-P-C4' energy: -156.292
flat angles P-C4'-P energy: -100.656
tors. eta vs tors. theta energy: -212.356
Dist. restrs. and SS energy: 8.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -2279.185422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.185422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.422798 (E_RNA)
where:
Base-Base interactions energy: -1617.679
where: short stacking energy: -701.282
Base-Backbone interact. energy: -0.995
local terms energy: -670.749078
where:
bonds (distance) C4'-P energy: -116.423
bonds (distance) P-C4' energy: -117.432
flat angles C4'-P-C4' energy: -139.952
flat angles P-C4'-P energy: -99.274
tors. eta vs tors. theta energy: -197.667
Dist. restrs. and SS energy: 10.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -2190.684380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.684380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.414420 (E_RNA)
where:
Base-Base interactions energy: -1553.761
where: short stacking energy: -656.033
Base-Backbone interact. energy: -0.081
local terms energy: -651.572526
where:
bonds (distance) C4'-P energy: -135.471
bonds (distance) P-C4' energy: -117.219
flat angles C4'-P-C4' energy: -127.872
flat angles P-C4'-P energy: -94.248
tors. eta vs tors. theta energy: -176.762
Dist. restrs. and SS energy: 14.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -2228.859216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.859216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.844806 (E_RNA)
where:
Base-Base interactions energy: -1577.507
where: short stacking energy: -636.519
Base-Backbone interact. energy: -3.507
local terms energy: -658.830220
where:
bonds (distance) C4'-P energy: -126.960
bonds (distance) P-C4' energy: -106.996
flat angles C4'-P-C4' energy: -144.951
flat angles P-C4'-P energy: -88.731
tors. eta vs tors. theta energy: -191.193
Dist. restrs. and SS energy: 10.986 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -1976.175912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.175912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.210448 (E_RNA)
where:
Base-Base interactions energy: -1407.995
where: short stacking energy: -590.370
Base-Backbone interact. energy: -0.396
local terms energy: -589.819518
where:
bonds (distance) C4'-P energy: -104.062
bonds (distance) P-C4' energy: -110.338
flat angles C4'-P-C4' energy: -125.985
flat angles P-C4'-P energy: -71.168
tors. eta vs tors. theta energy: -178.266
Dist. restrs. and SS energy: 22.035 (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: 3
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -2781.061723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.061723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.141190 (E_RNA)
where:
Base-Base interactions energy: -1952.419
where: short stacking energy: -820.938
Base-Backbone interact. energy: -4.128
local terms energy: -829.594371
where:
bonds (distance) C4'-P energy: -149.595
bonds (distance) P-C4' energy: -141.745
flat angles C4'-P-C4' energy: -178.270
flat angles P-C4'-P energy: -117.890
tors. eta vs tors. theta energy: -242.095
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: 2, replica: 8
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -2672.025268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.025268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.693794 (E_RNA)
where:
Base-Base interactions energy: -1856.384
where: short stacking energy: -791.896
Base-Backbone interact. energy: -0.260
local terms energy: -817.050462
where:
bonds (distance) C4'-P energy: -138.028
bonds (distance) P-C4' energy: -148.201
flat angles C4'-P-C4' energy: -178.506
flat angles P-C4'-P energy: -105.014
tors. eta vs tors. theta energy: -247.301
Dist. restrs. and SS energy: 1.669 (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: 378
Temperature: 1.000000
Total energy: -2650.155173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.155173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.754731 (E_RNA)
where:
Base-Base interactions energy: -1857.019
where: short stacking energy: -794.373
Base-Backbone interact. energy: -0.601
local terms energy: -795.133829
where:
bonds (distance) C4'-P energy: -127.288
bonds (distance) P-C4' energy: -147.749
flat angles C4'-P-C4' energy: -165.434
flat angles P-C4'-P energy: -106.782
tors. eta vs tors. theta energy: -247.880
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: 4, replica: 2
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -2547.184533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.184533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.416166 (E_RNA)
where:
Base-Base interactions energy: -1790.529
where: short stacking energy: -772.176
Base-Backbone interact. energy: -0.328
local terms energy: -758.558937
where:
bonds (distance) C4'-P energy: -121.517
bonds (distance) P-C4' energy: -134.444
flat angles C4'-P-C4' energy: -161.516
flat angles P-C4'-P energy: -113.425
tors. eta vs tors. theta energy: -227.657
Dist. restrs. and SS energy: 2.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -2477.976842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.976842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.875964 (E_RNA)
where:
Base-Base interactions energy: -1730.916
where: short stacking energy: -735.374
Base-Backbone interact. energy: -2.330
local terms energy: -750.630053
where:
bonds (distance) C4'-P energy: -134.957
bonds (distance) P-C4' energy: -134.010
flat angles C4'-P-C4' energy: -162.947
flat angles P-C4'-P energy: -109.006
tors. eta vs tors. theta energy: -209.710
Dist. restrs. and SS energy: 5.899 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -2385.564060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.564060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.773824 (E_RNA)
where:
Base-Base interactions energy: -1709.648
where: short stacking energy: -707.537
Base-Backbone interact. energy: -0.911
local terms energy: -683.214451
where:
bonds (distance) C4'-P energy: -104.400
bonds (distance) P-C4' energy: -136.572
flat angles C4'-P-C4' energy: -149.051
flat angles P-C4'-P energy: -83.373
tors. eta vs tors. theta energy: -209.820
Dist. restrs. and SS energy: 8.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -2288.754979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.754979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.427636 (E_RNA)
where:
Base-Base interactions energy: -1627.294
where: short stacking energy: -670.029
Base-Backbone interact. energy: -0.683
local terms energy: -669.450766
where:
bonds (distance) C4'-P energy: -107.958
bonds (distance) P-C4' energy: -128.883
flat angles C4'-P-C4' energy: -150.128
flat angles P-C4'-P energy: -87.701
tors. eta vs tors. theta energy: -194.781
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: 8, replica: 4
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -2234.779560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.779560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.988019 (E_RNA)
where:
Base-Base interactions energy: -1591.110
where: short stacking energy: -663.065
Base-Backbone interact. energy: 1.256
local terms energy: -656.134136
where:
bonds (distance) C4'-P energy: -124.856
bonds (distance) P-C4' energy: -122.655
flat angles C4'-P-C4' energy: -137.505
flat angles P-C4'-P energy: -80.139
tors. eta vs tors. theta energy: -190.979
Dist. restrs. and SS energy: 11.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -2118.368783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.368783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.319679 (E_RNA)
where:
Base-Base interactions energy: -1509.687
where: short stacking energy: -630.046
Base-Backbone interact. energy: 3.815
local terms energy: -621.447720
where:
bonds (distance) C4'-P energy: -105.330
bonds (distance) P-C4' energy: -116.166
flat angles C4'-P-C4' energy: -130.646
flat angles P-C4'-P energy: -85.243
tors. eta vs tors. theta energy: -184.063
Dist. restrs. and SS energy: 8.951 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -1957.739891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.739891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.705185 (E_RNA)
where:
Base-Base interactions energy: -1399.963
where: short stacking energy: -587.549
Base-Backbone interact. energy: 0.139
local terms energy: -579.880290
where:
bonds (distance) C4'-P energy: -103.577
bonds (distance) P-C4' energy: -102.784
flat angles C4'-P-C4' energy: -132.552
flat angles P-C4'-P energy: -70.418
tors. eta vs tors. theta energy: -170.548
Dist. restrs. and SS energy: 21.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -2800.492943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.492943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.455091 (E_RNA)
where:
Base-Base interactions energy: -1955.368
where: short stacking energy: -817.603
Base-Backbone interact. energy: -5.070
local terms energy: -845.016916
where:
bonds (distance) C4'-P energy: -150.978
bonds (distance) P-C4' energy: -159.441
flat angles C4'-P-C4' energy: -178.395
flat angles P-C4'-P energy: -112.698
tors. eta vs tors. theta energy: -243.504
Dist. restrs. and SS energy: 4.962 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -2686.093700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.093700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.327787 (E_RNA)
where:
Base-Base interactions energy: -1873.629
where: short stacking energy: -801.257
Base-Backbone interact. energy: -2.821
local terms energy: -811.877173
where:
bonds (distance) C4'-P energy: -131.910
bonds (distance) P-C4' energy: -140.544
flat angles C4'-P-C4' energy: -168.250
flat angles P-C4'-P energy: -116.827
tors. eta vs tors. theta energy: -254.346
Dist. restrs. and SS energy: 2.234 (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: 379
Temperature: 1.000000
Total energy: -2634.548268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.548268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.207063 (E_RNA)
where:
Base-Base interactions energy: -1847.392
where: short stacking energy: -804.853
Base-Backbone interact. energy: -2.815
local terms energy: -789.000116
where:
bonds (distance) C4'-P energy: -148.158
bonds (distance) P-C4' energy: -138.781
flat angles C4'-P-C4' energy: -166.044
flat angles P-C4'-P energy: -100.759
tors. eta vs tors. theta energy: -235.258
Dist. restrs. and SS energy: 4.659 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -2559.465211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.465211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.904612 (E_RNA)
where:
Base-Base interactions energy: -1794.982
where: short stacking energy: -761.965
Base-Backbone interact. energy: 3.062
local terms energy: -770.984246
where:
bonds (distance) C4'-P energy: -136.849
bonds (distance) P-C4' energy: -144.974
flat angles C4'-P-C4' energy: -157.480
flat angles P-C4'-P energy: -98.669
tors. eta vs tors. theta energy: -233.013
Dist. restrs. and SS energy: 3.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -2442.619769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.619769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.828729 (E_RNA)
where:
Base-Base interactions energy: -1746.761
where: short stacking energy: -736.253
Base-Backbone interact. energy: -1.502
local terms energy: -703.565316
where:
bonds (distance) C4'-P energy: -134.695
bonds (distance) P-C4' energy: -118.489
flat angles C4'-P-C4' energy: -156.811
flat angles P-C4'-P energy: -90.695
tors. eta vs tors. theta energy: -202.876
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: 6, replica: 5
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -2396.621124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.621124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.150776 (E_RNA)
where:
Base-Base interactions energy: -1693.026
where: short stacking energy: -716.729
Base-Backbone interact. energy: 0.365
local terms energy: -707.489575
where:
bonds (distance) C4'-P energy: -116.761
bonds (distance) P-C4' energy: -114.133
flat angles C4'-P-C4' energy: -156.379
flat angles P-C4'-P energy: -107.610
tors. eta vs tors. theta energy: -212.606
Dist. restrs. and SS energy: 3.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -2311.799799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.799799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.648731 (E_RNA)
where:
Base-Base interactions energy: -1624.471
where: short stacking energy: -692.748
Base-Backbone interact. energy: -1.685
local terms energy: -694.491950
where:
bonds (distance) C4'-P energy: -111.871
bonds (distance) P-C4' energy: -130.227
flat angles C4'-P-C4' energy: -152.063
flat angles P-C4'-P energy: -100.953
tors. eta vs tors. theta energy: -199.378
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: 4
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -2227.156664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.156664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.738327 (E_RNA)
where:
Base-Base interactions energy: -1570.387
where: short stacking energy: -631.839
Base-Backbone interact. energy: -2.164
local terms energy: -665.187080
where:
bonds (distance) C4'-P energy: -107.209
bonds (distance) P-C4' energy: -116.001
flat angles C4'-P-C4' energy: -143.754
flat angles P-C4'-P energy: -107.866
tors. eta vs tors. theta energy: -190.357
Dist. restrs. and SS energy: 10.582 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -2105.263384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.263384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.375886 (E_RNA)
where:
Base-Base interactions energy: -1493.792
where: short stacking energy: -615.066
Base-Backbone interact. energy: 10.723
local terms energy: -631.306909
where:
bonds (distance) C4'-P energy: -127.109
bonds (distance) P-C4' energy: -98.202
flat angles C4'-P-C4' energy: -135.898
flat angles P-C4'-P energy: -92.750
tors. eta vs tors. theta energy: -177.348
Dist. restrs. and SS energy: 9.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -2021.814048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.814048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.142244 (E_RNA)
where:
Base-Base interactions energy: -1412.650
where: short stacking energy: -578.151
Base-Backbone interact. energy: 1.542
local terms energy: -625.034645
where:
bonds (distance) C4'-P energy: -99.788
bonds (distance) P-C4' energy: -109.429
flat angles C4'-P-C4' energy: -142.131
flat angles P-C4'-P energy: -87.953
tors. eta vs tors. theta energy: -185.734
Dist. restrs. and SS energy: 14.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -2823.381309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2823.381309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2829.417001 (E_RNA)
where:
Base-Base interactions energy: -1975.087
where: short stacking energy: -819.452
Base-Backbone interact. energy: -3.605
local terms energy: -850.724924
where:
bonds (distance) C4'-P energy: -151.212
bonds (distance) P-C4' energy: -159.468
flat angles C4'-P-C4' energy: -174.587
flat angles P-C4'-P energy: -118.780
tors. eta vs tors. theta energy: -246.679
Dist. restrs. and SS energy: 6.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -2727.031582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.031582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.190166 (E_RNA)
where:
Base-Base interactions energy: -1904.227
where: short stacking energy: -821.822
Base-Backbone interact. energy: -2.775
local terms energy: -823.187821
where:
bonds (distance) C4'-P energy: -143.203
bonds (distance) P-C4' energy: -132.572
flat angles C4'-P-C4' energy: -164.316
flat angles P-C4'-P energy: -129.721
tors. eta vs tors. theta energy: -253.375
Dist. restrs. and SS energy: 3.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -2635.862266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.862266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.217187 (E_RNA)
where:
Base-Base interactions energy: -1877.763
where: short stacking energy: -792.402
Base-Backbone interact. energy: -3.152
local terms energy: -758.301979
where:
bonds (distance) C4'-P energy: -133.624
bonds (distance) P-C4' energy: -132.980
flat angles C4'-P-C4' energy: -156.337
flat angles P-C4'-P energy: -101.924
tors. eta vs tors. theta energy: -233.437
Dist. restrs. and SS energy: 3.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -2527.692611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.692611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.617414 (E_RNA)
where:
Base-Base interactions energy: -1778.988
where: short stacking energy: -769.436
Base-Backbone interact. energy: 1.826
local terms energy: -758.454963
where:
bonds (distance) C4'-P energy: -136.747
bonds (distance) P-C4' energy: -123.536
flat angles C4'-P-C4' energy: -166.814
flat angles P-C4'-P energy: -103.567
tors. eta vs tors. theta energy: -227.792
Dist. restrs. and SS energy: 7.925 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -2444.781174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.781174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.811843 (E_RNA)
where:
Base-Base interactions energy: -1724.264
where: short stacking energy: -705.951
Base-Backbone interact. energy: 4.414
local terms energy: -730.962380
where:
bonds (distance) C4'-P energy: -127.393
bonds (distance) P-C4' energy: -127.360
flat angles C4'-P-C4' energy: -164.511
flat angles P-C4'-P energy: -103.314
tors. eta vs tors. theta energy: -208.384
Dist. restrs. and SS energy: 6.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -2402.080945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.080945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.462079 (E_RNA)
where:
Base-Base interactions energy: -1685.890
where: short stacking energy: -719.377
Base-Backbone interact. energy: -4.249
local terms energy: -719.322720
where:
bonds (distance) C4'-P energy: -122.232
bonds (distance) P-C4' energy: -116.928
flat angles C4'-P-C4' energy: -158.257
flat angles P-C4'-P energy: -111.885
tors. eta vs tors. theta energy: -210.019
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: 9
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -2298.563002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.563002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.363536 (E_RNA)
where:
Base-Base interactions energy: -1575.853
where: short stacking energy: -655.615
Base-Backbone interact. energy: -1.761
local terms energy: -731.750212
where:
bonds (distance) C4'-P energy: -124.589
bonds (distance) P-C4' energy: -136.447
flat angles C4'-P-C4' energy: -157.290
flat angles P-C4'-P energy: -112.843
tors. eta vs tors. theta energy: -200.581
Dist. restrs. and SS energy: 10.801 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -2231.882787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.882787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.739477 (E_RNA)
where:
Base-Base interactions energy: -1560.191
where: short stacking energy: -659.910
Base-Backbone interact. energy: -1.866
local terms energy: -677.682617
where:
bonds (distance) C4'-P energy: -106.554
bonds (distance) P-C4' energy: -132.548
flat angles C4'-P-C4' energy: -144.658
flat angles P-C4'-P energy: -101.685
tors. eta vs tors. theta energy: -192.237
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: 380
Temperature: 1.300000
Total energy: -2141.615640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.615640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.337060 (E_RNA)
where:
Base-Base interactions energy: -1521.580
where: short stacking energy: -607.907
Base-Backbone interact. energy: 4.629
local terms energy: -633.386343
where:
bonds (distance) C4'-P energy: -119.346
bonds (distance) P-C4' energy: -109.379
flat angles C4'-P-C4' energy: -135.589
flat angles P-C4'-P energy: -86.476
tors. eta vs tors. theta energy: -182.596
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: 10, replica: 7
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -2013.476348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.476348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.636705 (E_RNA)
where:
Base-Base interactions energy: -1411.301
where: short stacking energy: -601.596
Base-Backbone interact. energy: -2.359
local terms energy: -622.976485
where:
bonds (distance) C4'-P energy: -121.227
bonds (distance) P-C4' energy: -111.097
flat angles C4'-P-C4' energy: -134.920
flat angles P-C4'-P energy: -83.266
tors. eta vs tors. theta energy: -172.466
Dist. restrs. and SS energy: 23.160 (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: 3
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -2807.515601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.515601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.171895 (E_RNA)
where:
Base-Base interactions energy: -1968.541
where: short stacking energy: -818.420
Base-Backbone interact. energy: -4.598
local terms energy: -839.032514
where:
bonds (distance) C4'-P energy: -148.421
bonds (distance) P-C4' energy: -143.595
flat angles C4'-P-C4' energy: -177.480
flat angles P-C4'-P energy: -119.895
tors. eta vs tors. theta energy: -249.641
Dist. restrs. and SS energy: 4.656 (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: 10
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -2714.830026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.830026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.738002 (E_RNA)
where:
Base-Base interactions energy: -1910.206
where: short stacking energy: -846.070
Base-Backbone interact. energy: -0.887
local terms energy: -807.645179
where:
bonds (distance) C4'-P energy: -138.339
bonds (distance) P-C4' energy: -131.251
flat angles C4'-P-C4' energy: -169.967
flat angles P-C4'-P energy: -110.425
tors. eta vs tors. theta energy: -257.663
Dist. restrs. and SS energy: 3.908 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -2625.624373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.624373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.198863 (E_RNA)
where:
Base-Base interactions energy: -1857.077
where: short stacking energy: -778.172
Base-Backbone interact. energy: -0.869
local terms energy: -771.252112
where:
bonds (distance) C4'-P energy: -116.698
bonds (distance) P-C4' energy: -137.539
flat angles C4'-P-C4' energy: -169.220
flat angles P-C4'-P energy: -115.481
tors. eta vs tors. theta energy: -232.315
Dist. restrs. and SS energy: 3.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -2463.315876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.315876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.031737 (E_RNA)
where:
Base-Base interactions energy: -1729.134
where: short stacking energy: -731.322
Base-Backbone interact. energy: -3.163
local terms energy: -734.734654
where:
bonds (distance) C4'-P energy: -123.189
bonds (distance) P-C4' energy: -146.534
flat angles C4'-P-C4' energy: -164.476
flat angles P-C4'-P energy: -92.816
tors. eta vs tors. theta energy: -207.719
Dist. restrs. and SS energy: 3.716 (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: 2
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -2480.550396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.550396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.953611 (E_RNA)
where:
Base-Base interactions energy: -1728.900
where: short stacking energy: -712.237
Base-Backbone interact. energy: 1.412
local terms energy: -759.465856
where:
bonds (distance) C4'-P energy: -139.922
bonds (distance) P-C4' energy: -134.391
flat angles C4'-P-C4' energy: -167.356
flat angles P-C4'-P energy: -105.535
tors. eta vs tors. theta energy: -212.262
Dist. restrs. and SS energy: 6.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -2394.069291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.069291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.171760 (E_RNA)
where:
Base-Base interactions energy: -1700.255
where: short stacking energy: -708.993
Base-Backbone interact. energy: -4.043
local terms energy: -694.873837
where:
bonds (distance) C4'-P energy: -129.623
bonds (distance) P-C4' energy: -111.753
flat angles C4'-P-C4' energy: -151.193
flat angles P-C4'-P energy: -94.007
tors. eta vs tors. theta energy: -208.299
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: 9
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -2335.761706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.761706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.510444 (E_RNA)
where:
Base-Base interactions energy: -1613.947
where: short stacking energy: -700.780
Base-Backbone interact. energy: -1.506
local terms energy: -729.056661
where:
bonds (distance) C4'-P energy: -118.969
bonds (distance) P-C4' energy: -139.538
flat angles C4'-P-C4' energy: -158.211
flat angles P-C4'-P energy: -106.846
tors. eta vs tors. theta energy: -205.494
Dist. restrs. and SS energy: 8.749 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -2197.169164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.169164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.456305 (E_RNA)
where:
Base-Base interactions energy: -1547.953
where: short stacking energy: -664.972
Base-Backbone interact. energy: -5.456
local terms energy: -653.047113
where:
bonds (distance) C4'-P energy: -126.593
bonds (distance) P-C4' energy: -115.025
flat angles C4'-P-C4' energy: -144.965
flat angles P-C4'-P energy: -79.198
tors. eta vs tors. theta energy: -187.266
Dist. restrs. and SS energy: 9.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -2173.623237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.623237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.485919 (E_RNA)
where:
Base-Base interactions energy: -1508.829
where: short stacking energy: -629.910
Base-Backbone interact. energy: -0.847
local terms energy: -673.809228
where:
bonds (distance) C4'-P energy: -125.194
bonds (distance) P-C4' energy: -105.576
flat angles C4'-P-C4' energy: -154.203
flat angles P-C4'-P energy: -85.473
tors. eta vs tors. theta energy: -203.364
Dist. restrs. and SS energy: 9.863 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -2026.208400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.208400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.320973 (E_RNA)
where:
Base-Base interactions energy: -1451.642
where: short stacking energy: -602.170
Base-Backbone interact. energy: 3.362
local terms energy: -599.041310
where:
bonds (distance) C4'-P energy: -101.733
bonds (distance) P-C4' energy: -109.565
flat angles C4'-P-C4' energy: -141.891
flat angles P-C4'-P energy: -79.164
tors. eta vs tors. theta energy: -166.688
Dist. restrs. and SS energy: 21.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -2808.677824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.677824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.341355 (E_RNA)
where:
Base-Base interactions energy: -1968.299
where: short stacking energy: -831.879
Base-Backbone interact. energy: -3.124
local terms energy: -839.917594
where:
bonds (distance) C4'-P energy: -151.511
bonds (distance) P-C4' energy: -145.249
flat angles C4'-P-C4' energy: -177.933
flat angles P-C4'-P energy: -109.320
tors. eta vs tors. theta energy: -255.905
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: 10
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -2701.618073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.618073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.100868 (E_RNA)
where:
Base-Base interactions energy: -1877.296
where: short stacking energy: -802.054
Base-Backbone interact. energy: -1.402
local terms energy: -827.403306
where:
bonds (distance) C4'-P energy: -140.815
bonds (distance) P-C4' energy: -141.283
flat angles C4'-P-C4' energy: -169.638
flat angles P-C4'-P energy: -115.820
tors. eta vs tors. theta energy: -259.847
Dist. restrs. and SS energy: 4.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -2615.322571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.322571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.686311 (E_RNA)
where:
Base-Base interactions energy: -1844.326
where: short stacking energy: -788.260
Base-Backbone interact. energy: -4.030
local terms energy: -772.330426
where:
bonds (distance) C4'-P energy: -132.833
bonds (distance) P-C4' energy: -134.678
flat angles C4'-P-C4' energy: -162.426
flat angles P-C4'-P energy: -110.551
tors. eta vs tors. theta energy: -231.842
Dist. restrs. and SS energy: 5.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -2507.280492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.280492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.119593 (E_RNA)
where:
Base-Base interactions energy: -1765.840
where: short stacking energy: -729.654
Base-Backbone interact. energy: -2.176
local terms energy: -747.103358
where:
bonds (distance) C4'-P energy: -121.114
bonds (distance) P-C4' energy: -146.691
flat angles C4'-P-C4' energy: -156.770
flat angles P-C4'-P energy: -104.327
tors. eta vs tors. theta energy: -218.202
Dist. restrs. and SS energy: 7.839 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -2489.099272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.099272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.821317 (E_RNA)
where:
Base-Base interactions energy: -1728.031
where: short stacking energy: -740.534
Base-Backbone interact. energy: -4.369
local terms energy: -761.421488
where:
bonds (distance) C4'-P energy: -130.267
bonds (distance) P-C4' energy: -155.267
flat angles C4'-P-C4' energy: -152.398
flat angles P-C4'-P energy: -97.933
tors. eta vs tors. theta energy: -225.556
Dist. restrs. and SS energy: 4.722 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -2370.206688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.206688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.215400 (E_RNA)
where:
Base-Base interactions energy: -1679.834
where: short stacking energy: -698.799
Base-Backbone interact. energy: -0.152
local terms energy: -695.229457
where:
bonds (distance) C4'-P energy: -98.262
bonds (distance) P-C4' energy: -144.857
flat angles C4'-P-C4' energy: -152.193
flat angles P-C4'-P energy: -94.198
tors. eta vs tors. theta energy: -205.719
Dist. restrs. and SS energy: 5.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -2262.818807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.818807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.276907 (E_RNA)
where:
Base-Base interactions energy: -1587.346
where: short stacking energy: -662.225
Base-Backbone interact. energy: -3.341
local terms energy: -684.589348
where:
bonds (distance) C4'-P energy: -128.769
bonds (distance) P-C4' energy: -111.470
flat angles C4'-P-C4' energy: -152.838
flat angles P-C4'-P energy: -96.919
tors. eta vs tors. theta energy: -194.593
Dist. restrs. and SS energy: 12.458 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -2210.659372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.659372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.784125 (E_RNA)
where:
Base-Base interactions energy: -1555.296
where: short stacking energy: -640.788
Base-Backbone interact. energy: 0.739
local terms energy: -668.227659
where:
bonds (distance) C4'-P energy: -123.159
bonds (distance) P-C4' energy: -105.409
flat angles C4'-P-C4' energy: -145.212
flat angles P-C4'-P energy: -104.991
tors. eta vs tors. theta energy: -189.457
Dist. restrs. and SS energy: 12.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -2169.253312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.253312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.412283 (E_RNA)
where:
Base-Base interactions energy: -1533.119
where: short stacking energy: -663.579
Base-Backbone interact. energy: -1.183
local terms energy: -646.109517
where:
bonds (distance) C4'-P energy: -107.995
bonds (distance) P-C4' energy: -123.136
flat angles C4'-P-C4' energy: -142.155
flat angles P-C4'-P energy: -86.752
tors. eta vs tors. theta energy: -186.072
Dist. restrs. and SS energy: 11.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -1987.075495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.075495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.679952 (E_RNA)
where:
Base-Base interactions energy: -1370.970
where: short stacking energy: -579.490
Base-Backbone interact. energy: -0.671
local terms energy: -633.039480
where:
bonds (distance) C4'-P energy: -116.830
bonds (distance) P-C4' energy: -122.075
flat angles C4'-P-C4' energy: -136.120
flat angles P-C4'-P energy: -81.092
tors. eta vs tors. theta energy: -176.921
Dist. restrs. and SS energy: 17.604 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -2791.419081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.419081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.153308 (E_RNA)
where:
Base-Base interactions energy: -1950.511
where: short stacking energy: -827.578
Base-Backbone interact. energy: -2.087
local terms energy: -843.555131
where:
bonds (distance) C4'-P energy: -145.030
bonds (distance) P-C4' energy: -153.887
flat angles C4'-P-C4' energy: -163.530
flat angles P-C4'-P energy: -132.368
tors. eta vs tors. theta energy: -248.739
Dist. restrs. and SS energy: 4.734 (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: 10
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -2699.085158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.085158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.969537 (E_RNA)
where:
Base-Base interactions energy: -1882.664
where: short stacking energy: -832.547
Base-Backbone interact. energy: -1.538
local terms energy: -818.766747
where:
bonds (distance) C4'-P energy: -130.668
bonds (distance) P-C4' energy: -143.472
flat angles C4'-P-C4' energy: -172.609
flat angles P-C4'-P energy: -118.636
tors. eta vs tors. theta energy: -253.382
Dist. restrs. and SS energy: 3.884 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -2618.444690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.444690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.045548 (E_RNA)
where:
Base-Base interactions energy: -1849.637
where: short stacking energy: -767.925
Base-Backbone interact. energy: -0.481
local terms energy: -771.926711
where:
bonds (distance) C4'-P energy: -139.369
bonds (distance) P-C4' energy: -127.458
flat angles C4'-P-C4' energy: -166.159
flat angles P-C4'-P energy: -111.262
tors. eta vs tors. theta energy: -227.678
Dist. restrs. and SS energy: 3.601 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -2498.152567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.152567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.737157 (E_RNA)
where:
Base-Base interactions energy: -1769.850
where: short stacking energy: -735.780
Base-Backbone interact. energy: 3.045
local terms energy: -738.932999
where:
bonds (distance) C4'-P energy: -135.956
bonds (distance) P-C4' energy: -132.832
flat angles C4'-P-C4' energy: -151.230
flat angles P-C4'-P energy: -108.836
tors. eta vs tors. theta energy: -210.078
Dist. restrs. and SS energy: 7.585 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -2518.345504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.345504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.494122 (E_RNA)
where:
Base-Base interactions energy: -1739.119
where: short stacking energy: -765.041
Base-Backbone interact. energy: -1.930
local terms energy: -780.446038
where:
bonds (distance) C4'-P energy: -131.639
bonds (distance) P-C4' energy: -135.926
flat angles C4'-P-C4' energy: -176.766
flat angles P-C4'-P energy: -105.927
tors. eta vs tors. theta energy: -230.188
Dist. restrs. and SS energy: 3.149 (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: 383
Temperature: 1.150000
Total energy: -2368.192300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.192300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.100370 (E_RNA)
where:
Base-Base interactions energy: -1650.153
where: short stacking energy: -717.954
Base-Backbone interact. energy: -2.457
local terms energy: -719.490904
where:
bonds (distance) C4'-P energy: -108.014
bonds (distance) P-C4' energy: -131.891
flat angles C4'-P-C4' energy: -164.308
flat angles P-C4'-P energy: -107.154
tors. eta vs tors. theta energy: -208.124
Dist. restrs. and SS energy: 3.908 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -2249.711991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.711991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.643279 (E_RNA)
where:
Base-Base interactions energy: -1578.829
where: short stacking energy: -677.678
Base-Backbone interact. energy: -1.324
local terms energy: -682.490835
where:
bonds (distance) C4'-P energy: -115.987
bonds (distance) P-C4' energy: -124.273
flat angles C4'-P-C4' energy: -141.696
flat angles P-C4'-P energy: -97.469
tors. eta vs tors. theta energy: -203.066
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: 8, replica: 4
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -2187.911031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.911031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.427059 (E_RNA)
where:
Base-Base interactions energy: -1555.281
where: short stacking energy: -631.967
Base-Backbone interact. energy: -0.706
local terms energy: -639.440508
where:
bonds (distance) C4'-P energy: -104.554
bonds (distance) P-C4' energy: -120.804
flat angles C4'-P-C4' energy: -138.929
flat angles P-C4'-P energy: -84.165
tors. eta vs tors. theta energy: -190.989
Dist. restrs. and SS energy: 7.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -2147.959986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.959986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.437258 (E_RNA)
where:
Base-Base interactions energy: -1527.265
where: short stacking energy: -643.216
Base-Backbone interact. energy: 3.818
local terms energy: -634.990582
where:
bonds (distance) C4'-P energy: -128.519
bonds (distance) P-C4' energy: -98.244
flat angles C4'-P-C4' energy: -137.786
flat angles P-C4'-P energy: -100.687
tors. eta vs tors. theta energy: -169.755
Dist. restrs. and SS energy: 10.477 (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: 7
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -1986.822359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.822359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.121199 (E_RNA)
where:
Base-Base interactions energy: -1426.523
where: short stacking energy: -595.858
Base-Backbone interact. energy: 1.582
local terms energy: -580.179502
where:
bonds (distance) C4'-P energy: -115.787
bonds (distance) P-C4' energy: -104.007
flat angles C4'-P-C4' energy: -120.703
flat angles P-C4'-P energy: -67.027
tors. eta vs tors. theta energy: -172.655
Dist. restrs. and SS energy: 18.299 (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: 10
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -2783.187110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.187110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.632823 (E_RNA)
where:
Base-Base interactions energy: -1940.515
where: short stacking energy: -849.452
Base-Backbone interact. energy: -2.372
local terms energy: -841.746313
where:
bonds (distance) C4'-P energy: -146.047
bonds (distance) P-C4' energy: -128.869
flat angles C4'-P-C4' energy: -176.068
flat angles P-C4'-P energy: -122.169
tors. eta vs tors. theta energy: -268.594
Dist. restrs. and SS energy: 1.446 (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: 3
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -2714.373628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.373628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.268178 (E_RNA)
where:
Base-Base interactions energy: -1920.457
where: short stacking energy: -823.806
Base-Backbone interact. energy: -1.814
local terms energy: -794.997449
where:
bonds (distance) C4'-P energy: -135.005
bonds (distance) P-C4' energy: -128.333
flat angles C4'-P-C4' energy: -167.373
flat angles P-C4'-P energy: -115.749
tors. eta vs tors. theta energy: -248.538
Dist. restrs. and SS energy: 2.895 (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: 8
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -2611.768618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.768618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.766390 (E_RNA)
where:
Base-Base interactions energy: -1813.356
where: short stacking energy: -777.969
Base-Backbone interact. energy: -1.465
local terms energy: -801.945422
where:
bonds (distance) C4'-P energy: -149.877
bonds (distance) P-C4' energy: -143.279
flat angles C4'-P-C4' energy: -168.696
flat angles P-C4'-P energy: -111.468
tors. eta vs tors. theta energy: -228.626
Dist. restrs. and SS energy: 4.998 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -2481.615498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.615498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.308608 (E_RNA)
where:
Base-Base interactions energy: -1749.653
where: short stacking energy: -714.661
Base-Backbone interact. energy: -0.191
local terms energy: -740.464748
where:
bonds (distance) C4'-P energy: -125.647
bonds (distance) P-C4' energy: -149.781
flat angles C4'-P-C4' energy: -159.097
flat angles P-C4'-P energy: -96.448
tors. eta vs tors. theta energy: -209.492
Dist. restrs. and SS energy: 8.693 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -2456.647812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.647812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.297521 (E_RNA)
where:
Base-Base interactions energy: -1700.627
where: short stacking energy: -744.615
Base-Backbone interact. energy: -1.218
local terms energy: -760.452443
where:
bonds (distance) C4'-P energy: -140.845
bonds (distance) P-C4' energy: -121.101
flat angles C4'-P-C4' energy: -163.091
flat angles P-C4'-P energy: -103.431
tors. eta vs tors. theta energy: -231.984
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: 6, replica: 5
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -2365.526353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.526353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.847309 (E_RNA)
where:
Base-Base interactions energy: -1663.908
where: short stacking energy: -719.240
Base-Backbone interact. energy: -5.048
local terms energy: -702.891507
where:
bonds (distance) C4'-P energy: -118.758
bonds (distance) P-C4' energy: -120.676
flat angles C4'-P-C4' energy: -142.207
flat angles P-C4'-P energy: -115.353
tors. eta vs tors. theta energy: -205.898
Dist. restrs. and SS energy: 6.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -2232.187420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.187420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.480083 (E_RNA)
where:
Base-Base interactions energy: -1572.903
where: short stacking energy: -666.479
Base-Backbone interact. energy: -2.252
local terms energy: -667.325425
where:
bonds (distance) C4'-P energy: -115.039
bonds (distance) P-C4' energy: -124.422
flat angles C4'-P-C4' energy: -130.243
flat angles P-C4'-P energy: -93.197
tors. eta vs tors. theta energy: -204.425
Dist. restrs. and SS energy: 10.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -2182.503967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.503967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.246873 (E_RNA)
where:
Base-Base interactions energy: -1540.237
where: short stacking energy: -653.123
Base-Backbone interact. energy: 0.667
local terms energy: -655.676563
where:
bonds (distance) C4'-P energy: -121.133
bonds (distance) P-C4' energy: -122.055
flat angles C4'-P-C4' energy: -127.195
flat angles P-C4'-P energy: -88.600
tors. eta vs tors. theta energy: -196.693
Dist. restrs. and SS energy: 12.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -2123.447321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.447321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.675505 (E_RNA)
where:
Base-Base interactions energy: -1528.305
where: short stacking energy: -636.834
Base-Backbone interact. energy: 0.786
local terms energy: -606.156859
where:
bonds (distance) C4'-P energy: -104.895
bonds (distance) P-C4' energy: -96.806
flat angles C4'-P-C4' energy: -139.524
flat angles P-C4'-P energy: -82.489
tors. eta vs tors. theta energy: -182.443
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: 7
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -1976.067991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.067991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.109576 (E_RNA)
where:
Base-Base interactions energy: -1399.728
where: short stacking energy: -574.943
Base-Backbone interact. energy: 7.706
local terms energy: -607.087153
where:
bonds (distance) C4'-P energy: -106.951
bonds (distance) P-C4' energy: -109.599
flat angles C4'-P-C4' energy: -136.969
flat angles P-C4'-P energy: -85.782
tors. eta vs tors. theta energy: -167.787
Dist. restrs. and SS energy: 23.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -2782.659463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.659463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.795683 (E_RNA)
where:
Base-Base interactions energy: -1927.749
where: short stacking energy: -837.609
Base-Backbone interact. energy: -2.818
local terms energy: -854.228453
where:
bonds (distance) C4'-P energy: -151.436
bonds (distance) P-C4' energy: -144.919
flat angles C4'-P-C4' energy: -176.893
flat angles P-C4'-P energy: -119.968
tors. eta vs tors. theta energy: -261.013
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: 2, replica: 3
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -2722.206423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.206423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.059884 (E_RNA)
where:
Base-Base interactions energy: -1896.735
where: short stacking energy: -797.866
Base-Backbone interact. energy: -4.841
local terms energy: -824.483813
where:
bonds (distance) C4'-P energy: -144.868
bonds (distance) P-C4' energy: -144.068
flat angles C4'-P-C4' energy: -174.961
flat angles P-C4'-P energy: -115.901
tors. eta vs tors. theta energy: -244.686
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: 3, replica: 8
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -2591.647211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.647211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.790703 (E_RNA)
where:
Base-Base interactions energy: -1811.263
where: short stacking energy: -771.172
Base-Backbone interact. energy: -3.954
local terms energy: -780.573349
where:
bonds (distance) C4'-P energy: -126.931
bonds (distance) P-C4' energy: -136.678
flat angles C4'-P-C4' energy: -154.345
flat angles P-C4'-P energy: -122.777
tors. eta vs tors. theta energy: -239.842
Dist. restrs. and SS energy: 4.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -2515.538336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.538336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.230495 (E_RNA)
where:
Base-Base interactions energy: -1753.047
where: short stacking energy: -744.462
Base-Backbone interact. energy: -3.775
local terms energy: -762.408590
where:
bonds (distance) C4'-P energy: -118.338
bonds (distance) P-C4' energy: -144.533
flat angles C4'-P-C4' energy: -166.226
flat angles P-C4'-P energy: -113.930
tors. eta vs tors. theta energy: -219.381
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: 5, replica: 6
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -2442.888546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.888546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.274114 (E_RNA)
where:
Base-Base interactions energy: -1721.070
where: short stacking energy: -718.728
Base-Backbone interact. energy: -2.173
local terms energy: -729.030493
where:
bonds (distance) C4'-P energy: -146.090
bonds (distance) P-C4' energy: -123.402
flat angles C4'-P-C4' energy: -146.428
flat angles P-C4'-P energy: -101.201
tors. eta vs tors. theta energy: -211.910
Dist. restrs. and SS energy: 9.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -2346.603356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.603356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.110413 (E_RNA)
where:
Base-Base interactions energy: -1655.738
where: short stacking energy: -681.934
Base-Backbone interact. energy: -0.167
local terms energy: -700.205636
where:
bonds (distance) C4'-P energy: -127.891
bonds (distance) P-C4' energy: -136.841
flat angles C4'-P-C4' energy: -141.797
flat angles P-C4'-P energy: -86.060
tors. eta vs tors. theta energy: -207.617
Dist. restrs. and SS energy: 9.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -2295.324674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.324674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.476374 (E_RNA)
where:
Base-Base interactions energy: -1582.774
where: short stacking energy: -660.108
Base-Backbone interact. energy: -2.191
local terms energy: -718.510686
where:
bonds (distance) C4'-P energy: -135.159
bonds (distance) P-C4' energy: -125.551
flat angles C4'-P-C4' energy: -153.694
flat angles P-C4'-P energy: -106.808
tors. eta vs tors. theta energy: -197.298
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: 8, replica: 4
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -2217.872860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.872860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.880610 (E_RNA)
where:
Base-Base interactions energy: -1587.950
where: short stacking energy: -656.471
Base-Backbone interact. energy: 3.854
local terms energy: -642.784592
where:
bonds (distance) C4'-P energy: -99.411
bonds (distance) P-C4' energy: -111.602
flat angles C4'-P-C4' energy: -154.774
flat angles P-C4'-P energy: -79.412
tors. eta vs tors. theta energy: -197.585
Dist. restrs. and SS energy: 9.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -2099.907588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.907588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.734756 (E_RNA)
where:
Base-Base interactions energy: -1492.670
where: short stacking energy: -612.791
Base-Backbone interact. energy: -4.014
local terms energy: -611.051645
where:
bonds (distance) C4'-P energy: -90.951
bonds (distance) P-C4' energy: -118.605
flat angles C4'-P-C4' energy: -142.229
flat angles P-C4'-P energy: -82.439
tors. eta vs tors. theta energy: -176.827
Dist. restrs. and SS energy: 7.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -1989.356044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.356044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.396054 (E_RNA)
where:
Base-Base interactions energy: -1408.905
where: short stacking energy: -584.823
Base-Backbone interact. energy: -2.213
local terms energy: -591.278343
where:
bonds (distance) C4'-P energy: -111.318
bonds (distance) P-C4' energy: -115.627
flat angles C4'-P-C4' energy: -134.899
flat angles P-C4'-P energy: -66.188
tors. eta vs tors. theta energy: -163.246
Dist. restrs. and SS energy: 13.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -2785.445138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.445138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.570205 (E_RNA)
where:
Base-Base interactions energy: -1935.094
where: short stacking energy: -836.461
Base-Backbone interact. energy: -1.840
local terms energy: -852.636774
where:
bonds (distance) C4'-P energy: -136.155
bonds (distance) P-C4' energy: -162.528
flat angles C4'-P-C4' energy: -173.742
flat angles P-C4'-P energy: -121.339
tors. eta vs tors. theta energy: -258.873
Dist. restrs. and SS energy: 4.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -2742.780693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.780693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.129922 (E_RNA)
where:
Base-Base interactions energy: -1913.651
where: short stacking energy: -819.898
Base-Backbone interact. energy: -3.239
local terms energy: -830.240064
where:
bonds (distance) C4'-P energy: -138.210
bonds (distance) P-C4' energy: -149.277
flat angles C4'-P-C4' energy: -175.367
flat angles P-C4'-P energy: -117.960
tors. eta vs tors. theta energy: -249.425
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: 3, replica: 8
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -2634.447615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.447615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.724040 (E_RNA)
where:
Base-Base interactions energy: -1831.483
where: short stacking energy: -806.039
Base-Backbone interact. energy: -4.531
local terms energy: -803.710341
where:
bonds (distance) C4'-P energy: -144.980
bonds (distance) P-C4' energy: -135.739
flat angles C4'-P-C4' energy: -165.467
flat angles P-C4'-P energy: -114.588
tors. eta vs tors. theta energy: -242.937
Dist. restrs. and SS energy: 5.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -2511.511267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.511267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.719665 (E_RNA)
where:
Base-Base interactions energy: -1733.366
where: short stacking energy: -746.089
Base-Backbone interact. energy: -2.052
local terms energy: -782.302056
where:
bonds (distance) C4'-P energy: -129.274
bonds (distance) P-C4' energy: -133.003
flat angles C4'-P-C4' energy: -170.403
flat angles P-C4'-P energy: -120.658
tors. eta vs tors. theta energy: -228.964
Dist. restrs. and SS energy: 6.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -2435.500853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.500853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.958416 (E_RNA)
where:
Base-Base interactions energy: -1738.842
where: short stacking energy: -718.246
Base-Backbone interact. energy: -1.738
local terms energy: -701.378317
where:
bonds (distance) C4'-P energy: -123.018
bonds (distance) P-C4' energy: -126.511
flat angles C4'-P-C4' energy: -150.147
flat angles P-C4'-P energy: -98.981
tors. eta vs tors. theta energy: -202.721
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: 6, replica: 5
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -2326.240129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.240129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.726703 (E_RNA)
where:
Base-Base interactions energy: -1630.194
where: short stacking energy: -677.175
Base-Backbone interact. energy: -1.558
local terms energy: -702.974414
where:
bonds (distance) C4'-P energy: -125.416
bonds (distance) P-C4' energy: -138.059
flat angles C4'-P-C4' energy: -150.158
flat angles P-C4'-P energy: -89.435
tors. eta vs tors. theta energy: -199.906
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: 7, replica: 9
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -2269.456423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.456423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.947267 (E_RNA)
where:
Base-Base interactions energy: -1613.815
where: short stacking energy: -677.877
Base-Backbone interact. energy: -2.139
local terms energy: -662.993613
where:
bonds (distance) C4'-P energy: -133.282
bonds (distance) P-C4' energy: -116.867
flat angles C4'-P-C4' energy: -133.681
flat angles P-C4'-P energy: -84.444
tors. eta vs tors. theta energy: -194.720
Dist. restrs. and SS energy: 9.491 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -2185.447833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.447833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.698387 (E_RNA)
where:
Base-Base interactions energy: -1524.359
where: short stacking energy: -635.188
Base-Backbone interact. energy: 0.874
local terms energy: -673.213367
where:
bonds (distance) C4'-P energy: -126.585
bonds (distance) P-C4' energy: -122.475
flat angles C4'-P-C4' energy: -150.257
flat angles P-C4'-P energy: -81.170
tors. eta vs tors. theta energy: -192.727
Dist. restrs. and SS energy: 11.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -2111.606144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.606144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.745066 (E_RNA)
where:
Base-Base interactions energy: -1484.274
where: short stacking energy: -621.571
Base-Backbone interact. energy: -0.309
local terms energy: -636.161785
where:
bonds (distance) C4'-P energy: -107.525
bonds (distance) P-C4' energy: -102.771
flat angles C4'-P-C4' energy: -146.136
flat angles P-C4'-P energy: -102.247
tors. eta vs tors. theta energy: -177.482
Dist. restrs. and SS energy: 9.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -1955.838880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.838880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.004349 (E_RNA)
where:
Base-Base interactions energy: -1400.742
where: short stacking energy: -585.410
Base-Backbone interact. energy: -1.183
local terms energy: -590.079555
where:
bonds (distance) C4'-P energy: -106.157
bonds (distance) P-C4' energy: -105.850
flat angles C4'-P-C4' energy: -135.291
flat angles P-C4'-P energy: -77.568
tors. eta vs tors. theta energy: -165.215
Dist. restrs. and SS energy: 36.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -2791.735019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.735019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.261813 (E_RNA)
where:
Base-Base interactions energy: -1926.893
where: short stacking energy: -823.925
Base-Backbone interact. energy: 0.791
local terms energy: -868.159471
where:
bonds (distance) C4'-P energy: -145.686
bonds (distance) P-C4' energy: -159.948
flat angles C4'-P-C4' energy: -175.896
flat angles P-C4'-P energy: -130.379
tors. eta vs tors. theta energy: -256.250
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: 2, replica: 3
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -2763.864080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2763.864080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2769.246549 (E_RNA)
where:
Base-Base interactions energy: -1944.119
where: short stacking energy: -830.547
Base-Backbone interact. energy: -5.245
local terms energy: -819.882249
where:
bonds (distance) C4'-P energy: -137.719
bonds (distance) P-C4' energy: -133.939
flat angles C4'-P-C4' energy: -173.250
flat angles P-C4'-P energy: -124.434
tors. eta vs tors. theta energy: -250.539
Dist. restrs. and SS energy: 5.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -2605.358119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.358119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.648546 (E_RNA)
where:
Base-Base interactions energy: -1831.499
where: short stacking energy: -777.222
Base-Backbone interact. energy: -1.958
local terms energy: -777.191183
where:
bonds (distance) C4'-P energy: -121.639
bonds (distance) P-C4' energy: -154.727
flat angles C4'-P-C4' energy: -162.426
flat angles P-C4'-P energy: -103.357
tors. eta vs tors. theta energy: -235.041
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: 4, replica: 2
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -2510.909124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.909124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.173970 (E_RNA)
where:
Base-Base interactions energy: -1777.018
where: short stacking energy: -744.362
Base-Backbone interact. energy: -0.490
local terms energy: -738.666059
where:
bonds (distance) C4'-P energy: -107.922
bonds (distance) P-C4' energy: -141.247
flat angles C4'-P-C4' energy: -163.573
flat angles P-C4'-P energy: -103.549
tors. eta vs tors. theta energy: -222.376
Dist. restrs. and SS energy: 5.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -2399.697822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.697822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.159496 (E_RNA)
where:
Base-Base interactions energy: -1708.782
where: short stacking energy: -756.114
Base-Backbone interact. energy: 1.302
local terms energy: -700.679703
where:
bonds (distance) C4'-P energy: -121.899
bonds (distance) P-C4' energy: -128.024
flat angles C4'-P-C4' energy: -153.547
flat angles P-C4'-P energy: -81.663
tors. eta vs tors. theta energy: -215.547
Dist. restrs. and SS energy: 8.462 (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: 387
Temperature: 1.150000
Total energy: -2295.003010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.003010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.191238 (E_RNA)
where:
Base-Base interactions energy: -1578.869
where: short stacking energy: -689.135
Base-Backbone interact. energy: -0.623
local terms energy: -730.699307
where:
bonds (distance) C4'-P energy: -111.438
bonds (distance) P-C4' energy: -151.245
flat angles C4'-P-C4' energy: -153.670
flat angles P-C4'-P energy: -97.672
tors. eta vs tors. theta energy: -216.676
Dist. restrs. and SS energy: 15.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -2357.316468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.316468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.976495 (E_RNA)
where:
Base-Base interactions energy: -1660.003
where: short stacking energy: -722.935
Base-Backbone interact. energy: 0.529
local terms energy: -704.502376
where:
bonds (distance) C4'-P energy: -123.868
bonds (distance) P-C4' energy: -129.567
flat angles C4'-P-C4' energy: -155.775
flat angles P-C4'-P energy: -89.815
tors. eta vs tors. theta energy: -205.477
Dist. restrs. and SS energy: 6.660 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -2210.011384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.011384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.296426 (E_RNA)
where:
Base-Base interactions energy: -1598.336
where: short stacking energy: -645.492
Base-Backbone interact. energy: 2.054
local terms energy: -619.014444
where:
bonds (distance) C4'-P energy: -108.813
bonds (distance) P-C4' energy: -103.740
flat angles C4'-P-C4' energy: -128.819
flat angles P-C4'-P energy: -76.679
tors. eta vs tors. theta energy: -200.963
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: 9, replica: 1
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -2105.197476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.197476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.061060 (E_RNA)
where:
Base-Base interactions energy: -1493.987
where: short stacking energy: -597.174
Base-Backbone interact. energy: -0.366
local terms energy: -627.707405
where:
bonds (distance) C4'-P energy: -99.890
bonds (distance) P-C4' energy: -128.170
flat angles C4'-P-C4' energy: -139.590
flat angles P-C4'-P energy: -91.029
tors. eta vs tors. theta energy: -169.029
Dist. restrs. and SS energy: 16.864 (S_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: 387
Temperature: 1.350000
Total energy: -1960.670080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.670080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.560896 (E_RNA)
where:
Base-Base interactions energy: -1398.401
where: short stacking energy: -575.782
Base-Backbone interact. energy: -0.614
local terms energy: -589.545376
where:
bonds (distance) C4'-P energy: -97.448
bonds (distance) P-C4' energy: -97.095
flat angles C4'-P-C4' energy: -144.256
flat angles P-C4'-P energy: -98.402
tors. eta vs tors. theta energy: -152.344
Dist. restrs. and SS energy: 27.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -2787.391948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.391948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.266263 (E_RNA)
where:
Base-Base interactions energy: -1948.148
where: short stacking energy: -833.603
Base-Backbone interact. energy: -2.106
local terms energy: -841.012234
where:
bonds (distance) C4'-P energy: -149.676
bonds (distance) P-C4' energy: -148.279
flat angles C4'-P-C4' energy: -163.856
flat angles P-C4'-P energy: -126.819
tors. eta vs tors. theta energy: -252.383
Dist. restrs. and SS energy: 3.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -2758.810330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.810330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.975809 (E_RNA)
where:
Base-Base interactions energy: -1932.027
where: short stacking energy: -834.767
Base-Backbone interact. energy: -2.289
local terms energy: -828.659153
where:
bonds (distance) C4'-P energy: -148.482
bonds (distance) P-C4' energy: -156.245
flat angles C4'-P-C4' energy: -164.137
flat angles P-C4'-P energy: -115.481
tors. eta vs tors. theta energy: -244.314
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: 3, replica: 8
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -2596.560078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.560078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.813385 (E_RNA)
where:
Base-Base interactions energy: -1840.363
where: short stacking energy: -769.577
Base-Backbone interact. energy: 8.293
local terms energy: -769.743020
where:
bonds (distance) C4'-P energy: -135.649
bonds (distance) P-C4' energy: -137.896
flat angles C4'-P-C4' energy: -161.625
flat angles P-C4'-P energy: -113.099
tors. eta vs tors. theta energy: -221.474
Dist. restrs. and SS energy: 5.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -2495.759651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.759651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.727989 (E_RNA)
where:
Base-Base interactions energy: -1755.000
where: short stacking energy: -755.547
Base-Backbone interact. energy: -4.065
local terms energy: -741.662482
where:
bonds (distance) C4'-P energy: -108.112
bonds (distance) P-C4' energy: -154.014
flat angles C4'-P-C4' energy: -162.505
flat angles P-C4'-P energy: -105.392
tors. eta vs tors. theta energy: -211.639
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: 6
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -2452.683262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.683262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.685408 (E_RNA)
where:
Base-Base interactions energy: -1705.510
where: short stacking energy: -715.310
Base-Backbone interact. energy: -2.909
local terms energy: -751.266323
where:
bonds (distance) C4'-P energy: -135.807
bonds (distance) P-C4' energy: -123.549
flat angles C4'-P-C4' energy: -156.586
flat angles P-C4'-P energy: -107.828
tors. eta vs tors. theta energy: -227.496
Dist. restrs. and SS energy: 7.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -2298.860251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.860251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.661947 (E_RNA)
where:
Base-Base interactions energy: -1611.763
where: short stacking energy: -663.730
Base-Backbone interact. energy: -3.169
local terms energy: -689.729708
where:
bonds (distance) C4'-P energy: -118.138
bonds (distance) P-C4' energy: -119.503
flat angles C4'-P-C4' energy: -142.546
flat angles P-C4'-P energy: -116.044
tors. eta vs tors. theta energy: -193.499
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: 7, replica: 4
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -2249.127225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.127225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.296740 (E_RNA)
where:
Base-Base interactions energy: -1591.229
where: short stacking energy: -669.446
Base-Backbone interact. energy: -2.317
local terms energy: -667.750080
where:
bonds (distance) C4'-P energy: -134.094
bonds (distance) P-C4' energy: -113.794
flat angles C4'-P-C4' energy: -137.751
flat angles P-C4'-P energy: -79.665
tors. eta vs tors. theta energy: -202.446
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: 8, replica: 5
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -2206.961745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.961745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.417803 (E_RNA)
where:
Base-Base interactions energy: -1574.736
where: short stacking energy: -655.618
Base-Backbone interact. energy: -1.243
local terms energy: -637.439214
where:
bonds (distance) C4'-P energy: -109.734
bonds (distance) P-C4' energy: -91.557
flat angles C4'-P-C4' energy: -157.842
flat angles P-C4'-P energy: -87.448
tors. eta vs tors. theta energy: -190.858
Dist. restrs. and SS energy: 6.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -2123.957872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.957872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.257045 (E_RNA)
where:
Base-Base interactions energy: -1512.794
where: short stacking energy: -625.945
Base-Backbone interact. energy: 3.399
local terms energy: -622.861204
where:
bonds (distance) C4'-P energy: -109.963
bonds (distance) P-C4' energy: -99.139
flat angles C4'-P-C4' energy: -139.794
flat angles P-C4'-P energy: -94.197
tors. eta vs tors. theta energy: -179.769
Dist. restrs. and SS energy: 8.299 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -1948.753598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.753598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.599157 (E_RNA)
where:
Base-Base interactions energy: -1380.078
where: short stacking energy: -560.794
Base-Backbone interact. energy: -2.582
local terms energy: -583.939090
where:
bonds (distance) C4'-P energy: -108.943
bonds (distance) P-C4' energy: -107.975
flat angles C4'-P-C4' energy: -142.038
flat angles P-C4'-P energy: -67.944
tors. eta vs tors. theta energy: -157.040
Dist. restrs. and SS energy: 17.846 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -2783.337656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.337656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.457599 (E_RNA)
where:
Base-Base interactions energy: -1941.257
where: short stacking energy: -822.571
Base-Backbone interact. energy: -4.078
local terms energy: -842.122634
where:
bonds (distance) C4'-P energy: -162.809
bonds (distance) P-C4' energy: -154.490
flat angles C4'-P-C4' energy: -159.814
flat angles P-C4'-P energy: -112.239
tors. eta vs tors. theta energy: -252.770
Dist. restrs. and SS energy: 4.120 (S_DIST_RNA)
chem. 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: -2748.072888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2748.072888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2751.147137 (E_RNA)
where:
Base-Base interactions energy: -1921.705
where: short stacking energy: -827.611
Base-Backbone interact. energy: -1.492
local terms energy: -827.950029
where:
bonds (distance) C4'-P energy: -144.498
bonds (distance) P-C4' energy: -148.461
flat angles C4'-P-C4' energy: -169.275
flat angles P-C4'-P energy: -119.028
tors. eta vs tors. theta energy: -246.687
Dist. restrs. and SS energy: 3.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -2612.795207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.795207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.903300 (E_RNA)
where:
Base-Base interactions energy: -1818.554
where: short stacking energy: -764.702
Base-Backbone interact. energy: -5.078
local terms energy: -792.270895
where:
bonds (distance) C4'-P energy: -142.899
bonds (distance) P-C4' energy: -136.683
flat angles C4'-P-C4' energy: -166.382
flat angles P-C4'-P energy: -110.005
tors. eta vs tors. theta energy: -236.303
Dist. restrs. and SS energy: 3.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -2516.332409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.332409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.592914 (E_RNA)
where:
Base-Base interactions energy: -1791.333
where: short stacking energy: -770.941
Base-Backbone interact. energy: 0.561
local terms energy: -728.821443
where:
bonds (distance) C4'-P energy: -123.564
bonds (distance) P-C4' energy: -129.239
flat angles C4'-P-C4' energy: -159.441
flat angles P-C4'-P energy: -96.531
tors. eta vs tors. theta energy: -220.046
Dist. restrs. and SS energy: 3.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -2417.136871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.136871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.356655 (E_RNA)
where:
Base-Base interactions energy: -1706.115
where: short stacking energy: -695.338
Base-Backbone interact. energy: -3.326
local terms energy: -716.916186
where:
bonds (distance) C4'-P energy: -122.139
bonds (distance) P-C4' energy: -128.939
flat angles C4'-P-C4' energy: -158.691
flat angles P-C4'-P energy: -104.629
tors. eta vs tors. theta energy: -202.519
Dist. restrs. and SS energy: 9.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -2316.579722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.579722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.720360 (E_RNA)
where:
Base-Base interactions energy: -1643.727
where: short stacking energy: -648.255
Base-Backbone interact. energy: -1.756
local terms energy: -681.237044
where:
bonds (distance) C4'-P energy: -117.572
bonds (distance) P-C4' energy: -127.194
flat angles C4'-P-C4' energy: -146.409
flat angles P-C4'-P energy: -92.392
tors. eta vs tors. theta energy: -197.670
Dist. restrs. and SS energy: 10.141 (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: 4
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -2308.972307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.972307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.625358 (E_RNA)
where:
Base-Base interactions energy: -1634.402
where: short stacking energy: -709.704
Base-Backbone interact. energy: -2.284
local terms energy: -680.939152
where:
bonds (distance) C4'-P energy: -97.940
bonds (distance) P-C4' energy: -125.492
flat angles C4'-P-C4' energy: -159.173
flat angles P-C4'-P energy: -91.328
tors. eta vs tors. theta energy: -207.007
Dist. restrs. and SS energy: 8.653 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -2239.272793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.272793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.327055 (E_RNA)
where:
Base-Base interactions energy: -1592.762
where: short stacking energy: -652.210
Base-Backbone interact. energy: -2.288
local terms energy: -648.276350
where:
bonds (distance) C4'-P energy: -90.823
bonds (distance) P-C4' energy: -127.459
flat angles C4'-P-C4' energy: -138.288
flat angles P-C4'-P energy: -90.034
tors. eta vs tors. theta energy: -201.672
Dist. restrs. and SS energy: 4.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -2134.642517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.642517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.077346 (E_RNA)
where:
Base-Base interactions energy: -1491.140
where: short stacking energy: -603.497
Base-Backbone interact. energy: 0.037
local terms energy: -652.974197
where:
bonds (distance) C4'-P energy: -113.241
bonds (distance) P-C4' energy: -130.774
flat angles C4'-P-C4' energy: -149.029
flat angles P-C4'-P energy: -84.225
tors. eta vs tors. theta energy: -175.705
Dist. restrs. and SS energy: 9.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -1970.350757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.350757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.641589 (E_RNA)
where:
Base-Base interactions energy: -1372.976
where: short stacking energy: -571.859
Base-Backbone interact. energy: -1.382
local terms energy: -619.283914
where:
bonds (distance) C4'-P energy: -107.563
bonds (distance) P-C4' energy: -111.994
flat angles C4'-P-C4' energy: -130.745
flat angles P-C4'-P energy: -92.715
tors. eta vs tors. theta energy: -176.268
Dist. restrs. and SS energy: 23.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -2805.181758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.181758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.799434 (E_RNA)
where:
Base-Base interactions energy: -1966.971
where: short stacking energy: -831.183
Base-Backbone interact. energy: -2.494
local terms energy: -838.334271
where:
bonds (distance) C4'-P energy: -140.317
bonds (distance) P-C4' energy: -153.966
flat angles C4'-P-C4' energy: -169.431
flat angles P-C4'-P energy: -112.600
tors. eta vs tors. theta energy: -262.021
Dist. restrs. and SS energy: 2.618 (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: 10
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -2701.993451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.993451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.828562 (E_RNA)
where:
Base-Base interactions energy: -1895.729
where: short stacking energy: -816.580
Base-Backbone interact. energy: -2.818
local terms energy: -806.281763
where:
bonds (distance) C4'-P energy: -128.741
bonds (distance) P-C4' energy: -148.505
flat angles C4'-P-C4' energy: -171.119
flat angles P-C4'-P energy: -114.586
tors. eta vs tors. theta energy: -243.331
Dist. restrs. and SS energy: 2.835 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -2614.940900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.940900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.312024 (E_RNA)
where:
Base-Base interactions energy: -1822.586
where: short stacking energy: -770.580
Base-Backbone interact. energy: -4.327
local terms energy: -793.398930
where:
bonds (distance) C4'-P energy: -137.306
bonds (distance) P-C4' energy: -145.596
flat angles C4'-P-C4' energy: -163.703
flat angles P-C4'-P energy: -117.871
tors. eta vs tors. theta energy: -228.923
Dist. restrs. and SS energy: 5.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -2499.645250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.645250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.332594 (E_RNA)
where:
Base-Base interactions energy: -1748.385
where: short stacking energy: -746.864
Base-Backbone interact. energy: 0.026
local terms energy: -754.973380
where:
bonds (distance) C4'-P energy: -123.718
bonds (distance) P-C4' energy: -148.977
flat angles C4'-P-C4' energy: -157.828
flat angles P-C4'-P energy: -103.693
tors. eta vs tors. theta energy: -220.758
Dist. restrs. and SS energy: 3.687 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -2449.803730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.803730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.774667 (E_RNA)
where:
Base-Base interactions energy: -1713.028
where: short stacking energy: -708.866
Base-Backbone interact. energy: -2.284
local terms energy: -741.462699
where:
bonds (distance) C4'-P energy: -121.037
bonds (distance) P-C4' energy: -142.546
flat angles C4'-P-C4' energy: -154.406
flat angles P-C4'-P energy: -98.663
tors. eta vs tors. theta energy: -224.812
Dist. restrs. and SS energy: 6.971 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -2354.846440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.846440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.895524 (E_RNA)
where:
Base-Base interactions energy: -1633.212
where: short stacking energy: -675.622
Base-Backbone interact. energy: -4.252
local terms energy: -725.430888
where:
bonds (distance) C4'-P energy: -121.970
bonds (distance) P-C4' energy: -143.486
flat angles C4'-P-C4' energy: -140.530
flat angles P-C4'-P energy: -106.152
tors. eta vs tors. theta energy: -213.293
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: 7, replica: 4
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -2274.042600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.042600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.894570 (E_RNA)
where:
Base-Base interactions energy: -1612.586
where: short stacking energy: -670.206
Base-Backbone interact. energy: 4.074
local terms energy: -671.382426
where:
bonds (distance) C4'-P energy: -107.972
bonds (distance) P-C4' energy: -132.257
flat angles C4'-P-C4' energy: -140.241
flat angles P-C4'-P energy: -88.803
tors. eta vs tors. theta energy: -202.110
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: 8, replica: 5
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -2217.333112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.333112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.414770 (E_RNA)
where:
Base-Base interactions energy: -1562.517
where: short stacking energy: -662.132
Base-Backbone interact. energy: 5.780
local terms energy: -667.678094
where:
bonds (distance) C4'-P energy: -98.226
bonds (distance) P-C4' energy: -128.182
flat angles C4'-P-C4' energy: -153.890
flat angles P-C4'-P energy: -89.162
tors. eta vs tors. theta energy: -198.218
Dist. restrs. and SS energy: 7.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -2120.166428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.166428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.674424 (E_RNA)
where:
Base-Base interactions energy: -1490.019
where: short stacking energy: -609.134
Base-Backbone interact. energy: -4.958
local terms energy: -636.697340
where:
bonds (distance) C4'-P energy: -127.715
bonds (distance) P-C4' energy: -129.601
flat angles C4'-P-C4' energy: -127.497
flat angles P-C4'-P energy: -76.064
tors. eta vs tors. theta energy: -175.820
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: 10, replica: 7
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -1986.748516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.748516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.694749 (E_RNA)
where:
Base-Base interactions energy: -1408.699
where: short stacking energy: -569.186
Base-Backbone interact. energy: -2.773
local terms energy: -597.222646
where:
bonds (distance) C4'-P energy: -107.609
bonds (distance) P-C4' energy: -111.315
flat angles C4'-P-C4' energy: -126.479
flat angles P-C4'-P energy: -83.105
tors. eta vs tors. theta energy: -168.715
Dist. restrs. and SS energy: 21.946 (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: 3
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -2798.680139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.680139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.995357 (E_RNA)
where:
Base-Base interactions energy: -1949.343
where: short stacking energy: -837.872
Base-Backbone interact. energy: 5.139
local terms energy: -859.790694
where:
bonds (distance) C4'-P energy: -149.339
bonds (distance) P-C4' energy: -159.659
flat angles C4'-P-C4' energy: -173.238
flat angles P-C4'-P energy: -127.175
tors. eta vs tors. theta energy: -250.380
Dist. restrs. and SS energy: 5.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -2731.765084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2731.765084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.381316 (E_RNA)
where:
Base-Base interactions energy: -1941.716
where: short stacking energy: -831.091
Base-Backbone interact. energy: -0.959
local terms energy: -793.706346
where:
bonds (distance) C4'-P energy: -135.243
bonds (distance) P-C4' energy: -142.608
flat angles C4'-P-C4' energy: -162.639
flat angles P-C4'-P energy: -110.771
tors. eta vs tors. theta energy: -242.445
Dist. restrs. and SS energy: 4.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -2570.687752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.687752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.958671 (E_RNA)
where:
Base-Base interactions energy: -1796.080
where: short stacking energy: -740.371
Base-Backbone interact. energy: -1.197
local terms energy: -778.681859
where:
bonds (distance) C4'-P energy: -141.503
bonds (distance) P-C4' energy: -130.498
flat angles C4'-P-C4' energy: -170.217
flat angles P-C4'-P energy: -108.997
tors. eta vs tors. theta energy: -227.467
Dist. restrs. and SS energy: 5.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -2505.796375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.796375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.392680 (E_RNA)
where:
Base-Base interactions energy: -1785.333
where: short stacking energy: -741.059
Base-Backbone interact. energy: 1.184
local terms energy: -728.243391
where:
bonds (distance) C4'-P energy: -123.981
bonds (distance) P-C4' energy: -123.965
flat angles C4'-P-C4' energy: -157.126
flat angles P-C4'-P energy: -105.863
tors. eta vs tors. theta energy: -217.308
Dist. restrs. and SS energy: 6.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -2437.328986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.328986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.543734 (E_RNA)
where:
Base-Base interactions energy: -1711.994
where: short stacking energy: -738.490
Base-Backbone interact. energy: 0.266
local terms energy: -733.815653
where:
bonds (distance) C4'-P energy: -129.669
bonds (distance) P-C4' energy: -128.210
flat angles C4'-P-C4' energy: -151.548
flat angles P-C4'-P energy: -107.699
tors. eta vs tors. theta energy: -216.690
Dist. restrs. and SS energy: 8.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -2345.314986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.314986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.495527 (E_RNA)
where:
Base-Base interactions energy: -1665.116
where: short stacking energy: -714.320
Base-Backbone interact. energy: -1.675
local terms energy: -691.704892
where:
bonds (distance) C4'-P energy: -116.599
bonds (distance) P-C4' energy: -125.462
flat angles C4'-P-C4' energy: -151.680
flat angles P-C4'-P energy: -91.072
tors. eta vs tors. theta energy: -206.892
Dist. restrs. and SS energy: 13.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -2259.810026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.810026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.467977 (E_RNA)
where:
Base-Base interactions energy: -1607.262
where: short stacking energy: -666.535
Base-Backbone interact. energy: -1.875
local terms energy: -660.330637
where:
bonds (distance) C4'-P energy: -121.730
bonds (distance) P-C4' energy: -126.471
flat angles C4'-P-C4' energy: -148.643
flat angles P-C4'-P energy: -78.187
tors. eta vs tors. theta energy: -185.299
Dist. restrs. and SS energy: 9.658 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -2217.627907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.627907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.862344 (E_RNA)
where:
Base-Base interactions energy: -1606.195
where: short stacking energy: -669.394
Base-Backbone interact. energy: -0.314
local terms energy: -619.353611
where:
bonds (distance) C4'-P energy: -108.020
bonds (distance) P-C4' energy: -104.659
flat angles C4'-P-C4' energy: -139.657
flat angles P-C4'-P energy: -77.957
tors. eta vs tors. theta energy: -189.060
Dist. restrs. and SS energy: 8.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -2120.625005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.625005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.560345 (E_RNA)
where:
Base-Base interactions energy: -1503.424
where: short stacking energy: -624.114
Base-Backbone interact. energy: -1.199
local terms energy: -625.936818
where:
bonds (distance) C4'-P energy: -119.600
bonds (distance) P-C4' energy: -116.714
flat angles C4'-P-C4' energy: -141.660
flat angles P-C4'-P energy: -69.461
tors. eta vs tors. theta energy: -178.502
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: 10, replica: 7
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -1959.272887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.272887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.753627 (E_RNA)
where:
Base-Base interactions energy: -1380.549
where: short stacking energy: -563.506
Base-Backbone interact. energy: -3.233
local terms energy: -594.972415
where:
bonds (distance) C4'-P energy: -103.037
bonds (distance) P-C4' energy: -118.975
flat angles C4'-P-C4' energy: -133.332
flat angles P-C4'-P energy: -85.174
tors. eta vs tors. theta energy: -154.455
Dist. restrs. and SS energy: 19.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -2782.163462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.163462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.967895 (E_RNA)
where:
Base-Base interactions energy: -1945.671
where: short stacking energy: -806.198
Base-Backbone interact. energy: -3.745
local terms energy: -835.551696
where:
bonds (distance) C4'-P energy: -142.618
bonds (distance) P-C4' energy: -149.645
flat angles C4'-P-C4' energy: -174.644
flat angles P-C4'-P energy: -122.665
tors. eta vs tors. theta energy: -245.980
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: 2, replica: 10
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -2726.086125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.086125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.690068 (E_RNA)
where:
Base-Base interactions energy: -1910.548
where: short stacking energy: -808.936
Base-Backbone interact. energy: -0.495
local terms energy: -818.647414
where:
bonds (distance) C4'-P energy: -140.554
bonds (distance) P-C4' energy: -144.398
flat angles C4'-P-C4' energy: -168.514
flat angles P-C4'-P energy: -119.612
tors. eta vs tors. theta energy: -245.569
Dist. restrs. and SS energy: 3.604 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -2583.925745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.925745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.982053 (E_RNA)
where:
Base-Base interactions energy: -1786.666
where: short stacking energy: -738.629
Base-Backbone interact. energy: -4.481
local terms energy: -797.834518
where:
bonds (distance) C4'-P energy: -140.347
bonds (distance) P-C4' energy: -150.321
flat angles C4'-P-C4' energy: -160.023
flat angles P-C4'-P energy: -114.969
tors. eta vs tors. theta energy: -232.174
Dist. restrs. and SS energy: 5.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -2528.520757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.520757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.065513 (E_RNA)
where:
Base-Base interactions energy: -1768.105
where: short stacking energy: -768.454
Base-Backbone interact. energy: 1.861
local terms energy: -765.821504
where:
bonds (distance) C4'-P energy: -131.201
bonds (distance) P-C4' energy: -147.075
flat angles C4'-P-C4' energy: -157.762
flat angles P-C4'-P energy: -99.255
tors. eta vs tors. theta energy: -230.528
Dist. restrs. and SS energy: 3.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -2435.050278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.050278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.700885 (E_RNA)
where:
Base-Base interactions energy: -1746.538
where: short stacking energy: -731.848
Base-Backbone interact. energy: -2.002
local terms energy: -692.159968
where:
bonds (distance) C4'-P energy: -132.008
bonds (distance) P-C4' energy: -110.751
flat angles C4'-P-C4' energy: -149.789
flat angles P-C4'-P energy: -86.965
tors. eta vs tors. theta energy: -212.647
Dist. restrs. and SS energy: 5.651 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -2363.805083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.805083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.095942 (E_RNA)
where:
Base-Base interactions energy: -1667.624
where: short stacking energy: -722.479
Base-Backbone interact. energy: -2.143
local terms energy: -707.329242
where:
bonds (distance) C4'-P energy: -113.225
bonds (distance) P-C4' energy: -127.568
flat angles C4'-P-C4' energy: -152.138
flat angles P-C4'-P energy: -99.327
tors. eta vs tors. theta energy: -215.070
Dist. restrs. and SS energy: 13.291 (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: 5
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -2326.323151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.323151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.197605 (E_RNA)
where:
Base-Base interactions energy: -1629.099
where: short stacking energy: -676.122
Base-Backbone interact. energy: -3.140
local terms energy: -699.958399
where:
bonds (distance) C4'-P energy: -133.194
bonds (distance) P-C4' energy: -111.389
flat angles C4'-P-C4' energy: -154.863
flat angles P-C4'-P energy: -100.698
tors. eta vs tors. theta energy: -199.815
Dist. restrs. and SS energy: 5.874 (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: 4
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -2252.084242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.084242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.390073 (E_RNA)
where:
Base-Base interactions energy: -1578.949
where: short stacking energy: -650.116
Base-Backbone interact. energy: -4.796
local terms energy: -674.645502
where:
bonds (distance) C4'-P energy: -132.354
bonds (distance) P-C4' energy: -120.180
flat angles C4'-P-C4' energy: -134.167
flat angles P-C4'-P energy: -99.334
tors. eta vs tors. theta energy: -188.611
Dist. restrs. and SS energy: 6.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -2096.556145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.556145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.651100 (E_RNA)
where:
Base-Base interactions energy: -1435.853
where: short stacking energy: -603.947
Base-Backbone interact. energy: -3.839
local terms energy: -669.959047
where:
bonds (distance) C4'-P energy: -124.819
bonds (distance) P-C4' energy: -122.743
flat angles C4'-P-C4' energy: -149.867
flat angles P-C4'-P energy: -88.392
tors. eta vs tors. theta energy: -184.137
Dist. restrs. and SS energy: 13.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -1948.205080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.205080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.360433 (E_RNA)
where:
Base-Base interactions energy: -1379.254
where: short stacking energy: -558.599
Base-Backbone interact. energy: -2.016
local terms energy: -593.090276
where:
bonds (distance) C4'-P energy: -112.539
bonds (distance) P-C4' energy: -110.207
flat angles C4'-P-C4' energy: -124.025
flat angles P-C4'-P energy: -80.895
tors. eta vs tors. theta energy: -165.424
Dist. restrs. and SS energy: 26.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -2771.067609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2771.067609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.456831 (E_RNA)
where:
Base-Base interactions energy: -1960.582
where: short stacking energy: -812.180
Base-Backbone interact. energy: -1.776
local terms energy: -812.099640
where:
bonds (distance) C4'-P energy: -130.284
bonds (distance) P-C4' energy: -147.268
flat angles C4'-P-C4' energy: -175.358
flat angles P-C4'-P energy: -117.841
tors. eta vs tors. theta energy: -241.349
Dist. restrs. and SS energy: 3.389 (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: 393
Temperature: 0.950000
Total energy: -2705.676534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.676534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.361492 (E_RNA)
where:
Base-Base interactions energy: -1899.959
where: short stacking energy: -830.667
Base-Backbone interact. energy: -2.968
local terms energy: -806.435346
where:
bonds (distance) C4'-P energy: -125.300
bonds (distance) P-C4' energy: -149.550
flat angles C4'-P-C4' energy: -156.468
flat angles P-C4'-P energy: -112.067
tors. eta vs tors. theta energy: -263.050
Dist. restrs. and SS energy: 3.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -2586.608078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.608078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.432277 (E_RNA)
where:
Base-Base interactions energy: -1825.339
where: short stacking energy: -770.513
Base-Backbone interact. energy: -0.954
local terms energy: -764.139353
where:
bonds (distance) C4'-P energy: -133.416
bonds (distance) P-C4' energy: -141.636
flat angles C4'-P-C4' energy: -167.374
flat angles P-C4'-P energy: -98.467
tors. eta vs tors. theta energy: -223.247
Dist. restrs. and SS energy: 3.824 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -2535.374509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.374509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.089535 (E_RNA)
where:
Base-Base interactions energy: -1768.903
where: short stacking energy: -754.972
Base-Backbone interact. energy: -3.812
local terms energy: -768.374375
where:
bonds (distance) C4'-P energy: -146.721
bonds (distance) P-C4' energy: -136.052
flat angles C4'-P-C4' energy: -155.024
flat angles P-C4'-P energy: -111.920
tors. eta vs tors. theta energy: -218.659
Dist. restrs. and SS energy: 5.715 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -2455.401412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.401412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.965628 (E_RNA)
where:
Base-Base interactions energy: -1701.260
where: short stacking energy: -709.497
Base-Backbone interact. energy: -1.575
local terms energy: -758.130848
where:
bonds (distance) C4'-P energy: -126.837
bonds (distance) P-C4' energy: -149.979
flat angles C4'-P-C4' energy: -165.127
flat angles P-C4'-P energy: -109.128
tors. eta vs tors. theta energy: -207.060
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: 5
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -2436.833980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.833980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.609857 (E_RNA)
where:
Base-Base interactions energy: -1726.143
where: short stacking energy: -722.477
Base-Backbone interact. energy: 8.709
local terms energy: -723.176420
where:
bonds (distance) C4'-P energy: -130.298
bonds (distance) P-C4' energy: -133.687
flat angles C4'-P-C4' energy: -149.457
flat angles P-C4'-P energy: -96.826
tors. eta vs tors. theta energy: -212.909
Dist. restrs. and SS energy: 3.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -2238.549524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.549524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.656608 (E_RNA)
where:
Base-Base interactions energy: -1591.774
where: short stacking energy: -651.560
Base-Backbone interact. energy: -0.861
local terms energy: -658.021146
where:
bonds (distance) C4'-P energy: -93.959
bonds (distance) P-C4' energy: -145.022
flat angles C4'-P-C4' energy: -141.931
flat angles P-C4'-P energy: -79.775
tors. eta vs tors. theta energy: -197.333
Dist. restrs. and SS energy: 12.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -2209.949157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.949157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.124880 (E_RNA)
where:
Base-Base interactions energy: -1577.617
where: short stacking energy: -646.438
Base-Backbone interact. energy: -2.669
local terms energy: -636.838782
where:
bonds (distance) C4'-P energy: -133.261
bonds (distance) P-C4' energy: -115.204
flat angles C4'-P-C4' energy: -135.717
flat angles P-C4'-P energy: -60.675
tors. eta vs tors. theta energy: -191.982
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: 1
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -2148.499995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.499995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.572669 (E_RNA)
where:
Base-Base interactions energy: -1516.589
where: short stacking energy: -606.172
Base-Backbone interact. energy: -1.946
local terms energy: -639.037309
where:
bonds (distance) C4'-P energy: -107.890
bonds (distance) P-C4' energy: -106.751
flat angles C4'-P-C4' energy: -147.001
flat angles P-C4'-P energy: -88.340
tors. eta vs tors. theta energy: -189.055
Dist. restrs. and SS energy: 9.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -2061.410718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.410718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.207898 (E_RNA)
where:
Base-Base interactions energy: -1483.722
where: short stacking energy: -612.552
Base-Backbone interact. energy: 1.609
local terms energy: -596.095226
where:
bonds (distance) C4'-P energy: -124.221
bonds (distance) P-C4' energy: -104.944
flat angles C4'-P-C4' energy: -124.270
flat angles P-C4'-P energy: -65.407
tors. eta vs tors. theta energy: -177.252
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: 1, replica: 3
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -2795.735431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.735431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.320393 (E_RNA)
where:
Base-Base interactions energy: -1937.834
where: short stacking energy: -815.990
Base-Backbone interact. energy: -2.942
local terms energy: -857.544580
where:
bonds (distance) C4'-P energy: -158.980
bonds (distance) P-C4' energy: -148.649
flat angles C4'-P-C4' energy: -176.958
flat angles P-C4'-P energy: -119.572
tors. eta vs tors. theta energy: -253.386
Dist. restrs. and SS energy: 2.585 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -2712.434630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.434630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.975641 (E_RNA)
where:
Base-Base interactions energy: -1878.895
where: short stacking energy: -811.367
Base-Backbone interact. energy: -1.303
local terms energy: -836.777589
where:
bonds (distance) C4'-P energy: -155.600
bonds (distance) P-C4' energy: -133.310
flat angles C4'-P-C4' energy: -174.071
flat angles P-C4'-P energy: -125.765
tors. eta vs tors. theta energy: -248.031
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: 8
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -2586.234047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.234047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.557154 (E_RNA)
where:
Base-Base interactions energy: -1824.492
where: short stacking energy: -774.461
Base-Backbone interact. energy: -0.648
local terms energy: -767.417306
where:
bonds (distance) C4'-P energy: -133.599
bonds (distance) P-C4' energy: -136.644
flat angles C4'-P-C4' energy: -156.067
flat angles P-C4'-P energy: -114.514
tors. eta vs tors. theta energy: -226.594
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: 4, replica: 2
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -2514.088987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.088987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.918353 (E_RNA)
where:
Base-Base interactions energy: -1776.613
where: short stacking energy: -744.615
Base-Backbone interact. energy: 0.556
local terms energy: -742.860812
where:
bonds (distance) C4'-P energy: -131.322
bonds (distance) P-C4' energy: -118.553
flat angles C4'-P-C4' energy: -160.592
flat angles P-C4'-P energy: -108.296
tors. eta vs tors. theta energy: -224.098
Dist. restrs. and SS energy: 4.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -2441.550057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.550057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.154080 (E_RNA)
where:
Base-Base interactions energy: -1730.187
where: short stacking energy: -727.802
Base-Backbone interact. energy: -5.526
local terms energy: -709.440769
where:
bonds (distance) C4'-P energy: -120.347
bonds (distance) P-C4' energy: -132.733
flat angles C4'-P-C4' energy: -150.180
flat angles P-C4'-P energy: -92.774
tors. eta vs tors. theta energy: -213.406
Dist. restrs. and SS energy: 3.604 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -2393.472645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.472645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.308683 (E_RNA)
where:
Base-Base interactions energy: -1705.090
where: short stacking energy: -728.700
Base-Backbone interact. energy: -1.099
local terms energy: -693.119777
where:
bonds (distance) C4'-P energy: -116.036
bonds (distance) P-C4' energy: -121.519
flat angles C4'-P-C4' energy: -150.924
flat angles P-C4'-P energy: -99.470
tors. eta vs tors. theta energy: -205.171
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: 7, replica: 9
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -2232.550097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.550097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.865873 (E_RNA)
where:
Base-Base interactions energy: -1564.496
where: short stacking energy: -656.859
Base-Backbone interact. energy: 0.929
local terms energy: -680.298970
where:
bonds (distance) C4'-P energy: -114.206
bonds (distance) P-C4' energy: -136.093
flat angles C4'-P-C4' energy: -138.640
flat angles P-C4'-P energy: -102.429
tors. eta vs tors. theta energy: -188.931
Dist. restrs. and SS energy: 11.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -2176.311662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.311662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.227178 (E_RNA)
where:
Base-Base interactions energy: -1560.287
where: short stacking energy: -668.699
Base-Backbone interact. energy: -0.769
local terms energy: -621.171259
where:
bonds (distance) C4'-P energy: -108.903
bonds (distance) P-C4' energy: -92.283
flat angles C4'-P-C4' energy: -140.457
flat angles P-C4'-P energy: -76.666
tors. eta vs tors. theta energy: -202.864
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: 9, replica: 1
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -2116.707809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.707809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.238404 (E_RNA)
where:
Base-Base interactions energy: -1475.099
where: short stacking energy: -593.530
Base-Backbone interact. energy: -2.133
local terms energy: -656.006028
where:
bonds (distance) C4'-P energy: -122.942
bonds (distance) P-C4' energy: -114.965
flat angles C4'-P-C4' energy: -158.067
flat angles P-C4'-P energy: -91.362
tors. eta vs tors. theta energy: -168.670
Dist. restrs. and SS energy: 16.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -1981.096221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.096221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.262510 (E_RNA)
where:
Base-Base interactions energy: -1444.383
where: short stacking energy: -588.857
Base-Backbone interact. energy: 4.669
local terms energy: -570.548341
where:
bonds (distance) C4'-P energy: -102.811
bonds (distance) P-C4' energy: -100.425
flat angles C4'-P-C4' energy: -122.738
flat angles P-C4'-P energy: -77.798
tors. eta vs tors. theta energy: -166.776
Dist. restrs. and SS energy: 29.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -2768.736233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2768.736233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.417487 (E_RNA)
where:
Base-Base interactions energy: -1932.690
where: short stacking energy: -819.393
Base-Backbone interact. energy: -2.433
local terms energy: -839.294616
where:
bonds (distance) C4'-P energy: -147.799
bonds (distance) P-C4' energy: -145.039
flat angles C4'-P-C4' energy: -171.319
flat angles P-C4'-P energy: -128.477
tors. eta vs tors. theta energy: -246.661
Dist. restrs. and SS energy: 5.681 (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: 10
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -2714.930111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.930111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.113399 (E_RNA)
where:
Base-Base interactions energy: -1881.402
where: short stacking energy: -802.665
Base-Backbone interact. energy: -1.658
local terms energy: -835.053349
where:
bonds (distance) C4'-P energy: -154.610
bonds (distance) P-C4' energy: -144.904
flat angles C4'-P-C4' energy: -168.475
flat angles P-C4'-P energy: -113.507
tors. eta vs tors. theta energy: -253.558
Dist. restrs. and SS energy: 3.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -2622.415210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.415210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.861351 (E_RNA)
where:
Base-Base interactions energy: -1843.082
where: short stacking energy: -789.906
Base-Backbone interact. energy: -3.467
local terms energy: -785.313258
where:
bonds (distance) C4'-P energy: -137.494
bonds (distance) P-C4' energy: -141.651
flat angles C4'-P-C4' energy: -169.244
flat angles P-C4'-P energy: -105.358
tors. eta vs tors. theta energy: -231.567
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: 4, replica: 2
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -2554.561041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.561041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.229911 (E_RNA)
where:
Base-Base interactions energy: -1766.473
where: short stacking energy: -773.920
Base-Backbone interact. energy: -1.019
local terms energy: -789.737756
where:
bonds (distance) C4'-P energy: -131.218
bonds (distance) P-C4' energy: -133.919
flat angles C4'-P-C4' energy: -180.588
flat angles P-C4'-P energy: -112.234
tors. eta vs tors. theta energy: -231.778
Dist. restrs. and SS energy: 2.669 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -2441.946252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.946252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.679489 (E_RNA)
where:
Base-Base interactions energy: -1723.192
where: short stacking energy: -728.114
Base-Backbone interact. energy: -0.688
local terms energy: -723.799559
where:
bonds (distance) C4'-P energy: -133.764
bonds (distance) P-C4' energy: -125.293
flat angles C4'-P-C4' energy: -158.143
flat angles P-C4'-P energy: -95.350
tors. eta vs tors. theta energy: -211.250
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: 6, replica: 5
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -2385.395387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.395387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.670118 (E_RNA)
where:
Base-Base interactions energy: -1688.209
where: short stacking energy: -693.590
Base-Backbone interact. energy: -6.191
local terms energy: -697.269858
where:
bonds (distance) C4'-P energy: -111.463
bonds (distance) P-C4' energy: -131.830
flat angles C4'-P-C4' energy: -147.240
flat angles P-C4'-P energy: -97.990
tors. eta vs tors. theta energy: -208.747
Dist. restrs. and SS energy: 6.275 (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: 395
Temperature: 1.200000
Total energy: -2218.296472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.296472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.262635 (E_RNA)
where:
Base-Base interactions energy: -1595.340
where: short stacking energy: -644.472
Base-Backbone interact. energy: -2.703
local terms energy: -632.219419
where:
bonds (distance) C4'-P energy: -115.009
bonds (distance) P-C4' energy: -104.897
flat angles C4'-P-C4' energy: -129.138
flat angles P-C4'-P energy: -93.529
tors. eta vs tors. theta energy: -189.646
Dist. restrs. and SS energy: 11.966 (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: 395
Temperature: 1.250000
Total energy: -2202.896178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.896178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.482675 (E_RNA)
where:
Base-Base interactions energy: -1545.751
where: short stacking energy: -661.973
Base-Backbone interact. energy: 1.887
local terms energy: -671.618474
where:
bonds (distance) C4'-P energy: -114.261
bonds (distance) P-C4' energy: -124.248
flat angles C4'-P-C4' energy: -146.817
flat angles P-C4'-P energy: -97.159
tors. eta vs tors. theta energy: -189.134
Dist. restrs. and SS energy: 12.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -2125.617977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.617977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.873854 (E_RNA)
where:
Base-Base interactions energy: -1512.103
where: short stacking energy: -641.820
Base-Backbone interact. energy: 0.894
local terms energy: -624.664979
where:
bonds (distance) C4'-P energy: -102.429
bonds (distance) P-C4' energy: -117.386
flat angles C4'-P-C4' energy: -140.592
flat angles P-C4'-P energy: -82.401
tors. eta vs tors. theta energy: -181.857
Dist. restrs. and SS energy: 10.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -1960.079166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.079166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.965368 (E_RNA)
where:
Base-Base interactions energy: -1399.511
where: short stacking energy: -600.901
Base-Backbone interact. energy: -2.387
local terms energy: -574.067565
where:
bonds (distance) C4'-P energy: -105.838
bonds (distance) P-C4' energy: -100.091
flat angles C4'-P-C4' energy: -137.498
flat angles P-C4'-P energy: -67.452
tors. eta vs tors. theta energy: -163.188
Dist. restrs. and SS energy: 15.886 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -2763.559448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2763.559448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.228194 (E_RNA)
where:
Base-Base interactions energy: -1938.879
where: short stacking energy: -840.095
Base-Backbone interact. energy: -4.829
local terms energy: -824.519605
where:
bonds (distance) C4'-P energy: -148.118
bonds (distance) P-C4' energy: -142.754
flat angles C4'-P-C4' energy: -171.705
flat angles P-C4'-P energy: -109.535
tors. eta vs tors. theta energy: -252.408
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: 2, replica: 10
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -2702.282104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.282104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.462115 (E_RNA)
where:
Base-Base interactions energy: -1901.946
where: short stacking energy: -798.625
Base-Backbone interact. energy: 0.917
local terms energy: -804.433411
where:
bonds (distance) C4'-P energy: -132.119
bonds (distance) P-C4' energy: -139.647
flat angles C4'-P-C4' energy: -167.881
flat angles P-C4'-P energy: -121.319
tors. eta vs tors. theta energy: -243.468
Dist. restrs. and SS energy: 3.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -2610.830150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.830150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.130391 (E_RNA)
where:
Base-Base interactions energy: -1840.974
where: short stacking energy: -776.179
Base-Backbone interact. energy: -3.422
local terms energy: -770.733426
where:
bonds (distance) C4'-P energy: -135.592
bonds (distance) P-C4' energy: -126.202
flat angles C4'-P-C4' energy: -164.755
flat angles P-C4'-P energy: -107.390
tors. eta vs tors. theta energy: -236.795
Dist. restrs. and SS energy: 4.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -2533.000767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.000767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.320581 (E_RNA)
where:
Base-Base interactions energy: -1759.312
where: short stacking energy: -739.296
Base-Backbone interact. energy: -2.704
local terms energy: -773.304323
where:
bonds (distance) C4'-P energy: -141.545
bonds (distance) P-C4' energy: -143.501
flat angles C4'-P-C4' energy: -166.318
flat angles P-C4'-P energy: -106.236
tors. eta vs tors. theta energy: -215.704
Dist. restrs. and SS energy: 2.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -2460.502211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.502211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.904420 (E_RNA)
where:
Base-Base interactions energy: -1734.593
where: short stacking energy: -710.386
Base-Backbone interact. energy: -2.505
local terms energy: -725.806531
where:
bonds (distance) C4'-P energy: -139.500
bonds (distance) P-C4' energy: -128.239
flat angles C4'-P-C4' energy: -142.405
flat angles P-C4'-P energy: -99.671
tors. eta vs tors. theta energy: -215.992
Dist. restrs. and SS energy: 2.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -2390.975105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.975105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.989125 (E_RNA)
where:
Base-Base interactions energy: -1682.294
where: short stacking energy: -698.956
Base-Backbone interact. energy: 3.122
local terms energy: -715.817325
where:
bonds (distance) C4'-P energy: -125.896
bonds (distance) P-C4' energy: -123.530
flat angles C4'-P-C4' energy: -152.349
flat angles P-C4'-P energy: -109.473
tors. eta vs tors. theta energy: -204.570
Dist. restrs. and SS energy: 4.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -2252.952977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.952977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.001457 (E_RNA)
where:
Base-Base interactions energy: -1582.805
where: short stacking energy: -667.465
Base-Backbone interact. energy: -2.881
local terms energy: -680.314728
where:
bonds (distance) C4'-P energy: -136.062
bonds (distance) P-C4' energy: -115.889
flat angles C4'-P-C4' energy: -143.655
flat angles P-C4'-P energy: -92.623
tors. eta vs tors. theta energy: -192.086
Dist. restrs. and SS energy: 13.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -2178.109363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.109363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.659438 (E_RNA)
where:
Base-Base interactions energy: -1542.069
where: short stacking energy: -641.780
Base-Backbone interact. energy: -0.244
local terms energy: -652.345710
where:
bonds (distance) C4'-P energy: -126.379
bonds (distance) P-C4' energy: -115.243
flat angles C4'-P-C4' energy: -130.227
flat angles P-C4'-P energy: -99.687
tors. eta vs tors. theta energy: -180.810
Dist. restrs. and SS energy: 16.550 (S_DIST_RNA)
chem. 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: -2093.669573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.669573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.995636 (E_RNA)
where:
Base-Base interactions energy: -1516.716
where: short stacking energy: -648.572
Base-Backbone interact. energy: -1.883
local terms energy: -594.396775
where:
bonds (distance) C4'-P energy: -85.561
bonds (distance) P-C4' energy: -104.390
flat angles C4'-P-C4' energy: -125.137
flat angles P-C4'-P energy: -96.234
tors. eta vs tors. theta energy: -183.074
Dist. restrs. and SS energy: 19.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -1996.355675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.355675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.422647 (E_RNA)
where:
Base-Base interactions energy: -1413.712
where: short stacking energy: -591.154
Base-Backbone interact. energy: -1.637
local terms energy: -603.073224
where:
bonds (distance) C4'-P energy: -110.268
bonds (distance) P-C4' energy: -118.673
flat angles C4'-P-C4' energy: -127.479
flat angles P-C4'-P energy: -81.005
tors. eta vs tors. theta energy: -165.648
Dist. restrs. and SS energy: 22.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -2770.169507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.169507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2775.523308 (E_RNA)
where:
Base-Base interactions energy: -1916.822
where: short stacking energy: -814.339
Base-Backbone interact. energy: -2.652
local terms energy: -856.049932
where:
bonds (distance) C4'-P energy: -154.612
bonds (distance) P-C4' energy: -158.361
flat angles C4'-P-C4' energy: -172.006
flat angles P-C4'-P energy: -121.435
tors. eta vs tors. theta energy: -249.636
Dist. restrs. and SS energy: 5.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -2657.296317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.296317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.928788 (E_RNA)
where:
Base-Base interactions energy: -1877.962
where: short stacking energy: -809.174
Base-Backbone interact. energy: 0.091
local terms energy: -783.058254
where:
bonds (distance) C4'-P energy: -131.309
bonds (distance) P-C4' energy: -119.673
flat angles C4'-P-C4' energy: -171.115
flat angles P-C4'-P energy: -115.652
tors. eta vs tors. theta energy: -245.309
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: 3, replica: 10
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -2667.132676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.132676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.319613 (E_RNA)
where:
Base-Base interactions energy: -1860.406
where: short stacking energy: -830.534
Base-Backbone interact. energy: -2.717
local terms energy: -808.196698
where:
bonds (distance) C4'-P energy: -136.670
bonds (distance) P-C4' energy: -135.816
flat angles C4'-P-C4' energy: -164.973
flat angles P-C4'-P energy: -115.066
tors. eta vs tors. theta energy: -255.672
Dist. restrs. and SS energy: 4.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -2532.143628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.143628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.473520 (E_RNA)
where:
Base-Base interactions energy: -1756.443
where: short stacking energy: -745.596
Base-Backbone interact. energy: -0.461
local terms energy: -781.569725
where:
bonds (distance) C4'-P energy: -137.386
bonds (distance) P-C4' energy: -157.973
flat angles C4'-P-C4' energy: -163.233
flat angles P-C4'-P energy: -107.558
tors. eta vs tors. theta energy: -215.420
Dist. restrs. and SS energy: 6.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -2472.361597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.361597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.124964 (E_RNA)
where:
Base-Base interactions energy: -1745.231
where: short stacking energy: -731.700
Base-Backbone interact. energy: -2.767
local terms energy: -729.126592
where:
bonds (distance) C4'-P energy: -113.989
bonds (distance) P-C4' energy: -124.978
flat angles C4'-P-C4' energy: -166.080
flat angles P-C4'-P energy: -106.262
tors. eta vs tors. theta energy: -217.818
Dist. restrs. and SS energy: 4.763 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -2301.154997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.154997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.537500 (E_RNA)
where:
Base-Base interactions energy: -1601.522
where: short stacking energy: -676.725
Base-Backbone interact. energy: -2.843
local terms energy: -704.172447
where:
bonds (distance) C4'-P energy: -133.624
bonds (distance) P-C4' energy: -130.259
flat angles C4'-P-C4' energy: -143.348
flat angles P-C4'-P energy: -97.411
tors. eta vs tors. theta energy: -199.531
Dist. restrs. and SS energy: 7.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -2320.237822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.237822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.150984 (E_RNA)
where:
Base-Base interactions energy: -1631.426
where: short stacking energy: -656.592
Base-Backbone interact. energy: -3.382
local terms energy: -690.342699
where:
bonds (distance) C4'-P energy: -114.809
bonds (distance) P-C4' energy: -122.347
flat angles C4'-P-C4' energy: -159.528
flat angles P-C4'-P energy: -92.525
tors. eta vs tors. theta energy: -201.134
Dist. restrs. and SS energy: 4.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -2198.851967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.851967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.765446 (E_RNA)
where:
Base-Base interactions energy: -1530.466
where: short stacking energy: -645.722
Base-Backbone interact. energy: -3.295
local terms energy: -682.005227
where:
bonds (distance) C4'-P energy: -134.278
bonds (distance) P-C4' energy: -120.122
flat angles C4'-P-C4' energy: -153.692
flat angles P-C4'-P energy: -93.307
tors. eta vs tors. theta energy: -180.606
Dist. restrs. and SS energy: 16.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -2158.953072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.953072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.693044 (E_RNA)
where:
Base-Base interactions energy: -1500.474
where: short stacking energy: -658.381
Base-Backbone interact. energy: -1.700
local terms energy: -668.518635
where:
bonds (distance) C4'-P energy: -114.679
bonds (distance) P-C4' energy: -136.330
flat angles C4'-P-C4' energy: -138.919
flat angles P-C4'-P energy: -78.695
tors. eta vs tors. theta energy: -199.897
Dist. restrs. and SS energy: 11.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -1990.968370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.968370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.322917 (E_RNA)
where:
Base-Base interactions energy: -1402.095
where: short stacking energy: -607.771
Base-Backbone interact. energy: -4.386
local terms energy: -607.841477
where:
bonds (distance) C4'-P energy: -107.124
bonds (distance) P-C4' energy: -97.183
flat angles C4'-P-C4' energy: -132.147
flat angles P-C4'-P energy: -93.201
tors. eta vs tors. theta energy: -178.187
Dist. restrs. and SS energy: 23.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -2787.642623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.642623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.667806 (E_RNA)
where:
Base-Base interactions energy: -1966.595
where: short stacking energy: -810.138
Base-Backbone interact. energy: -3.939
local terms energy: -821.133424
where:
bonds (distance) C4'-P energy: -135.704
bonds (distance) P-C4' energy: -136.837
flat angles C4'-P-C4' energy: -178.418
flat angles P-C4'-P energy: -119.808
tors. eta vs tors. theta energy: -250.366
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: 8
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -2679.366850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.366850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.366941 (E_RNA)
where:
Base-Base interactions energy: -1894.917
where: short stacking energy: -824.763
Base-Backbone interact. energy: -0.642
local terms energy: -786.807486
where:
bonds (distance) C4'-P energy: -125.917
bonds (distance) P-C4' energy: -139.308
flat angles C4'-P-C4' energy: -161.549
flat angles P-C4'-P energy: -114.451
tors. eta vs tors. theta energy: -245.583
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: 3, replica: 10
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -2652.822591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.822591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.981224 (E_RNA)
where:
Base-Base interactions energy: -1861.780
where: short stacking energy: -813.355
Base-Backbone interact. energy: -0.912
local terms energy: -794.290100
where:
bonds (distance) C4'-P energy: -129.070
bonds (distance) P-C4' energy: -129.067
flat angles C4'-P-C4' energy: -169.522
flat angles P-C4'-P energy: -111.595
tors. eta vs tors. theta energy: -255.035
Dist. restrs. and SS energy: 4.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -2509.848839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.848839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.544873 (E_RNA)
where:
Base-Base interactions energy: -1731.212
where: short stacking energy: -746.930
Base-Backbone interact. energy: -4.289
local terms energy: -777.043454
where:
bonds (distance) C4'-P energy: -148.585
bonds (distance) P-C4' energy: -129.379
flat angles C4'-P-C4' energy: -165.463
flat angles P-C4'-P energy: -111.964
tors. eta vs tors. theta energy: -221.651
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: 5, replica: 5
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -2454.994902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.994902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.115736 (E_RNA)
where:
Base-Base interactions energy: -1731.644
where: short stacking energy: -717.925
Base-Backbone interact. energy: -2.944
local terms energy: -725.527691
where:
bonds (distance) C4'-P energy: -132.100
bonds (distance) P-C4' energy: -129.000
flat angles C4'-P-C4' energy: -148.437
flat angles P-C4'-P energy: -99.470
tors. eta vs tors. theta energy: -216.520
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: 6, replica: 9
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -2309.678581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.678581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.094303 (E_RNA)
where:
Base-Base interactions energy: -1646.008
where: short stacking energy: -691.776
Base-Backbone interact. energy: -2.604
local terms energy: -671.482867
where:
bonds (distance) C4'-P energy: -117.214
bonds (distance) P-C4' energy: -126.301
flat angles C4'-P-C4' energy: -139.074
flat angles P-C4'-P energy: -88.717
tors. eta vs tors. theta energy: -200.177
Dist. restrs. and SS energy: 10.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -2316.436043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.436043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.486079 (E_RNA)
where:
Base-Base interactions energy: -1645.430
where: short stacking energy: -677.731
Base-Backbone interact. energy: -2.381
local terms energy: -680.675299
where:
bonds (distance) C4'-P energy: -123.395
bonds (distance) P-C4' energy: -132.489
flat angles C4'-P-C4' energy: -149.785
flat angles P-C4'-P energy: -76.952
tors. eta vs tors. theta energy: -198.054
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: 8, replica: 4
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -2196.993234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.993234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.490163 (E_RNA)
where:
Base-Base interactions energy: -1584.905
where: short stacking energy: -658.624
Base-Backbone interact. energy: -0.861
local terms energy: -629.724351
where:
bonds (distance) C4'-P energy: -122.887
bonds (distance) P-C4' energy: -100.537
flat angles C4'-P-C4' energy: -135.102
flat angles P-C4'-P energy: -91.971
tors. eta vs tors. theta energy: -179.227
Dist. restrs. and SS energy: 18.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -2137.218440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.218440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.645025 (E_RNA)
where:
Base-Base interactions energy: -1503.805
where: short stacking energy: -619.320
Base-Backbone interact. energy: -0.553
local terms energy: -645.287132
where:
bonds (distance) C4'-P energy: -116.352
bonds (distance) P-C4' energy: -134.990
flat angles C4'-P-C4' energy: -120.247
flat angles P-C4'-P energy: -91.954
tors. eta vs tors. theta energy: -181.745
Dist. restrs. and SS energy: 12.427 (S_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: 398
Temperature: 1.350000
Total energy: -1936.223999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.223999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.009287 (E_RNA)
where:
Base-Base interactions energy: -1364.490
where: short stacking energy: -549.897
Base-Backbone interact. energy: -3.353
local terms energy: -593.166438
where:
bonds (distance) C4'-P energy: -105.982
bonds (distance) P-C4' energy: -118.809
flat angles C4'-P-C4' energy: -122.680
flat angles P-C4'-P energy: -93.614
tors. eta vs tors. theta energy: -152.081
Dist. restrs. and SS energy: 24.785 (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: 3
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -2786.258172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.258172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.348681 (E_RNA)
where:
Base-Base interactions energy: -1948.927
where: short stacking energy: -836.462
Base-Backbone interact. energy: -3.818
local terms energy: -839.603064
where:
bonds (distance) C4'-P energy: -153.344
bonds (distance) P-C4' energy: -132.874
flat angles C4'-P-C4' energy: -177.678
flat angles P-C4'-P energy: -132.465
tors. eta vs tors. theta energy: -243.242
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: 2, replica: 8
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -2695.243085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.243085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.039666 (E_RNA)
where:
Base-Base interactions energy: -1880.531
where: short stacking energy: -805.425
Base-Backbone interact. energy: -2.838
local terms energy: -815.671038
where:
bonds (distance) C4'-P energy: -151.277
bonds (distance) P-C4' energy: -135.732
flat angles C4'-P-C4' energy: -170.580
flat angles P-C4'-P energy: -115.554
tors. eta vs tors. theta energy: -242.528
Dist. restrs. and SS energy: 3.797 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -2651.015762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.015762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.683568 (E_RNA)
where:
Base-Base interactions energy: -1869.871
where: short stacking energy: -802.570
Base-Backbone interact. energy: 1.111
local terms energy: -783.923640
where:
bonds (distance) C4'-P energy: -120.731
bonds (distance) P-C4' energy: -142.450
flat angles C4'-P-C4' energy: -171.426
flat angles P-C4'-P energy: -108.203
tors. eta vs tors. theta energy: -241.114
Dist. restrs. and SS energy: 1.668 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -2535.004277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.004277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.325456 (E_RNA)
where:
Base-Base interactions energy: -1774.585
where: short stacking energy: -742.995
Base-Backbone interact. energy: -5.602
local terms energy: -760.138876
where:
bonds (distance) C4'-P energy: -133.067
bonds (distance) P-C4' energy: -134.377
flat angles C4'-P-C4' energy: -153.767
flat angles P-C4'-P energy: -109.238
tors. eta vs tors. theta energy: -229.689
Dist. restrs. and SS energy: 5.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -2473.032511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.032511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.301829 (E_RNA)
where:
Base-Base interactions energy: -1756.919
where: short stacking energy: -721.363
Base-Backbone interact. energy: -3.297
local terms energy: -719.086287
where:
bonds (distance) C4'-P energy: -126.406
bonds (distance) P-C4' energy: -132.784
flat angles C4'-P-C4' energy: -145.272
flat angles P-C4'-P energy: -102.721
tors. eta vs tors. theta energy: -211.905
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: 6, replica: 6
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -2338.657697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.657697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.676683 (E_RNA)
where:
Base-Base interactions energy: -1637.106
where: short stacking energy: -690.540
Base-Backbone interact. energy: 0.048
local terms energy: -706.618857
where:
bonds (distance) C4'-P energy: -123.704
bonds (distance) P-C4' energy: -132.503
flat angles C4'-P-C4' energy: -155.134
flat angles P-C4'-P energy: -89.053
tors. eta vs tors. theta energy: -206.224
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: 7, replica: 9
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -2237.204931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.204931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.200495 (E_RNA)
where:
Base-Base interactions energy: -1565.993
where: short stacking energy: -678.653
Base-Backbone interact. energy: -3.168
local terms energy: -679.039363
where:
bonds (distance) C4'-P energy: -123.647
bonds (distance) P-C4' energy: -123.845
flat angles C4'-P-C4' energy: -146.978
flat angles P-C4'-P energy: -89.776
tors. eta vs tors. theta energy: -194.793
Dist. restrs. and SS energy: 10.996 (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: 4
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -2205.566881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.566881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.370480 (E_RNA)
where:
Base-Base interactions energy: -1555.249
where: short stacking energy: -609.339
Base-Backbone interact. energy: -1.246
local terms energy: -655.875514
where:
bonds (distance) C4'-P energy: -97.944
bonds (distance) P-C4' energy: -144.653
flat angles C4'-P-C4' energy: -147.484
flat angles P-C4'-P energy: -87.153
tors. eta vs tors. theta energy: -178.642
Dist. restrs. and SS energy: 6.804 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -2140.555956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.555956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.388516 (E_RNA)
where:
Base-Base interactions energy: -1515.419
where: short stacking energy: -622.900
Base-Backbone interact. energy: 2.618
local terms energy: -637.587583
where:
bonds (distance) C4'-P energy: -120.421
bonds (distance) P-C4' energy: -115.758
flat angles C4'-P-C4' energy: -133.508
flat angles P-C4'-P energy: -87.887
tors. eta vs tors. theta energy: -180.013
Dist. restrs. and SS energy: 9.833 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -1965.865502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.865502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.133895 (E_RNA)
where:
Base-Base interactions energy: -1374.763
where: short stacking energy: -563.984
Base-Backbone interact. energy: -3.382
local terms energy: -610.988638
where:
bonds (distance) C4'-P energy: -127.215
bonds (distance) P-C4' energy: -109.711
flat angles C4'-P-C4' energy: -128.418
flat angles P-C4'-P energy: -84.117
tors. eta vs tors. theta energy: -161.527
Dist. restrs. and SS energy: 23.268 (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: 3
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -2791.454097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.454097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.479212 (E_RNA)
where:
Base-Base interactions energy: -1952.158
where: short stacking energy: -824.653
Base-Backbone interact. energy: -2.901
local terms energy: -841.419899
where:
bonds (distance) C4'-P energy: -151.772
bonds (distance) P-C4' energy: -144.967
flat angles C4'-P-C4' energy: -171.672
flat angles P-C4'-P energy: -121.056
tors. eta vs tors. theta energy: -251.952
Dist. restrs. and SS energy: 5.025 (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: 400
Temperature: 0.950000
Total energy: -2674.336424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.336424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.707985 (E_RNA)
where:
Base-Base interactions energy: -1886.805
where: short stacking energy: -807.428
Base-Backbone interact. energy: -4.441
local terms energy: -787.461465
where:
bonds (distance) C4'-P energy: -143.338
bonds (distance) P-C4' energy: -128.899
flat angles C4'-P-C4' energy: -171.577
flat angles P-C4'-P energy: -106.981
tors. eta vs tors. theta energy: -236.668
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: 3, replica: 10
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -2640.521382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.521382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.594001 (E_RNA)
where:
Base-Base interactions energy: -1856.550
where: short stacking energy: -783.357
Base-Backbone interact. energy: -5.011
local terms energy: -786.032806
where:
bonds (distance) C4'-P energy: -128.010
bonds (distance) P-C4' energy: -135.438
flat angles C4'-P-C4' energy: -172.716
flat angles P-C4'-P energy: -103.168
tors. eta vs tors. theta energy: -246.701
Dist. restrs. and SS energy: 7.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -2548.062302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.062302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.004905 (E_RNA)
where:
Base-Base interactions energy: -1802.682
where: short stacking energy: -770.480
Base-Backbone interact. energy: -0.047
local terms energy: -749.276577
where:
bonds (distance) C4'-P energy: -122.054
bonds (distance) P-C4' energy: -140.552
flat angles C4'-P-C4' energy: -158.155
flat angles P-C4'-P energy: -101.390
tors. eta vs tors. theta energy: -227.125
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: 5, replica: 5
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -2480.839028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.839028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.513908 (E_RNA)
where:
Base-Base interactions energy: -1725.668
where: short stacking energy: -718.821
Base-Backbone interact. energy: -0.717
local terms energy: -762.129809
where:
bonds (distance) C4'-P energy: -132.383
bonds (distance) P-C4' energy: -151.469
flat angles C4'-P-C4' energy: -162.404
flat angles P-C4'-P energy: -101.552
tors. eta vs tors. theta energy: -214.322
Dist. restrs. and SS energy: 7.675 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -2369.497473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.497473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.843234 (E_RNA)
where:
Base-Base interactions energy: -1638.924
where: short stacking energy: -685.125
Base-Backbone interact. energy: -2.507
local terms energy: -732.411752
where:
bonds (distance) C4'-P energy: -134.081
bonds (distance) P-C4' energy: -131.759
flat angles C4'-P-C4' energy: -158.462
flat angles P-C4'-P energy: -97.436
tors. eta vs tors. theta energy: -210.674
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: 7, replica: 9
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -2249.661280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.661280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.044171 (E_RNA)
where:
Base-Base interactions energy: -1591.087
where: short stacking energy: -655.405
Base-Backbone interact. energy: -0.120
local terms energy: -671.836429
where:
bonds (distance) C4'-P energy: -129.002
bonds (distance) P-C4' energy: -126.981
flat angles C4'-P-C4' energy: -146.373
flat angles P-C4'-P energy: -87.802
tors. eta vs tors. theta energy: -181.679
Dist. restrs. and SS energy: 13.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -2264.249478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.249478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.634319 (E_RNA)
where:
Base-Base interactions energy: -1631.714
where: short stacking energy: -667.884
Base-Backbone interact. energy: 0.138
local terms energy: -640.058273
where:
bonds (distance) C4'-P energy: -98.599
bonds (distance) P-C4' energy: -118.973
flat angles C4'-P-C4' energy: -145.100
flat angles P-C4'-P energy: -72.821
tors. eta vs tors. theta energy: -204.565
Dist. restrs. and SS energy: 7.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -2081.391111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.391111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.434856 (E_RNA)
where:
Base-Base interactions energy: -1460.115
where: short stacking energy: -595.377
Base-Backbone interact. energy: -3.055
local terms energy: -630.265144
where:
bonds (distance) C4'-P energy: -118.547
bonds (distance) P-C4' energy: -124.326
flat angles C4'-P-C4' energy: -130.925
flat angles P-C4'-P energy: -73.780
tors. eta vs tors. theta energy: -182.688
Dist. restrs. and SS energy: 12.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -1961.986208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.986208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.213723 (E_RNA)
where:
Base-Base interactions energy: -1366.261
where: short stacking energy: -591.819
Base-Backbone interact. energy: -3.907
local terms energy: -614.046163
where:
bonds (distance) C4'-P energy: -116.848
bonds (distance) P-C4' energy: -127.342
flat angles C4'-P-C4' energy: -136.151
flat angles P-C4'-P energy: -57.629
tors. eta vs tors. theta energy: -176.076
Dist. restrs. and SS energy: 22.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -2788.300438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.300438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.342253 (E_RNA)
where:
Base-Base interactions energy: -1966.611
where: short stacking energy: -827.934
Base-Backbone interact. energy: -1.361
local terms energy: -825.370392
where:
bonds (distance) C4'-P energy: -148.507
bonds (distance) P-C4' energy: -135.188
flat angles C4'-P-C4' energy: -173.194
flat angles P-C4'-P energy: -113.639
tors. eta vs tors. theta energy: -254.842
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: 2, replica: 8
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -2663.407004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.407004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.175694 (E_RNA)
where:
Base-Base interactions energy: -1887.826
where: short stacking energy: -805.649
Base-Backbone interact. energy: -2.419
local terms energy: -778.930922
where:
bonds (distance) C4'-P energy: -136.227
bonds (distance) P-C4' energy: -117.414
flat angles C4'-P-C4' energy: -169.107
flat angles P-C4'-P energy: -118.732
tors. eta vs tors. theta energy: -237.450
Dist. restrs. and SS energy: 5.769 (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: 10
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -2650.969329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.969329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.556089 (E_RNA)
where:
Base-Base interactions energy: -1847.629
where: short stacking energy: -774.262
Base-Backbone interact. energy: -2.238
local terms energy: -803.689081
where:
bonds (distance) C4'-P energy: -136.264
bonds (distance) P-C4' energy: -148.132
flat angles C4'-P-C4' energy: -168.332
flat angles P-C4'-P energy: -105.292
tors. eta vs tors. theta energy: -245.669
Dist. restrs. and SS energy: 2.587 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -2544.617502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.617502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.656585 (E_RNA)
where:
Base-Base interactions energy: -1790.345
where: short stacking energy: -745.372
Base-Backbone interact. energy: -2.827
local terms energy: -755.484111
where:
bonds (distance) C4'-P energy: -140.869
bonds (distance) P-C4' energy: -124.843
flat angles C4'-P-C4' energy: -172.425
flat angles P-C4'-P energy: -99.952
tors. eta vs tors. theta energy: -217.395
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: 5, replica: 5
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -2419.734083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.734083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.843359 (E_RNA)
where:
Base-Base interactions energy: -1692.422
where: short stacking energy: -725.008
Base-Backbone interact. energy: 1.329
local terms energy: -735.750592
where:
bonds (distance) C4'-P energy: -140.528
bonds (distance) P-C4' energy: -132.774
flat angles C4'-P-C4' energy: -142.732
flat angles P-C4'-P energy: -102.310
tors. eta vs tors. theta energy: -217.406
Dist. restrs. and SS energy: 7.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -2320.560977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.560977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.877361 (E_RNA)
where:
Base-Base interactions energy: -1650.734
where: short stacking energy: -673.680
Base-Backbone interact. energy: -0.341
local terms energy: -679.802535
where:
bonds (distance) C4'-P energy: -121.860
bonds (distance) P-C4' energy: -123.190
flat angles C4'-P-C4' energy: -136.680
flat angles P-C4'-P energy: -92.647
tors. eta vs tors. theta energy: -205.426
Dist. restrs. and SS energy: 10.316 (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: 9
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -2240.542337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.542337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.542058 (E_RNA)
where:
Base-Base interactions energy: -1549.302
where: short stacking energy: -645.129
Base-Backbone interact. energy: 1.845
local terms energy: -704.084549
where:
bonds (distance) C4'-P energy: -116.419
bonds (distance) P-C4' energy: -147.042
flat angles C4'-P-C4' energy: -149.921
flat angles P-C4'-P energy: -99.582
tors. eta vs tors. theta energy: -191.121
Dist. restrs. and SS energy: 11.000 (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: 401
Temperature: 1.250000
Total energy: -2221.033110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.033110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.365842 (E_RNA)
where:
Base-Base interactions energy: -1541.935
where: short stacking energy: -635.500
Base-Backbone interact. energy: 0.690
local terms energy: -687.120026
where:
bonds (distance) C4'-P energy: -125.802
bonds (distance) P-C4' energy: -140.527
flat angles C4'-P-C4' energy: -146.277
flat angles P-C4'-P energy: -80.800
tors. eta vs tors. theta energy: -193.714
Dist. restrs. and SS energy: 7.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -2087.099086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.099086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.607286 (E_RNA)
where:
Base-Base interactions energy: -1522.715
where: short stacking energy: -643.627
Base-Backbone interact. energy: -1.476
local terms energy: -571.415966
where:
bonds (distance) C4'-P energy: -106.070
bonds (distance) P-C4' energy: -98.434
flat angles C4'-P-C4' energy: -117.124
flat angles P-C4'-P energy: -79.116
tors. eta vs tors. theta energy: -170.672
Dist. restrs. and SS energy: 8.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -1938.437127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.437127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.363069 (E_RNA)
where:
Base-Base interactions energy: -1409.022
where: short stacking energy: -593.047
Base-Backbone interact. energy: -2.594
local terms energy: -545.747580
where:
bonds (distance) C4'-P energy: -92.718
bonds (distance) P-C4' energy: -95.572
flat angles C4'-P-C4' energy: -110.193
flat angles P-C4'-P energy: -74.106
tors. eta vs tors. theta energy: -173.159
Dist. restrs. and SS energy: 18.926 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -2814.672926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.672926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2819.239745 (E_RNA)
where:
Base-Base interactions energy: -1946.369
where: short stacking energy: -822.599
Base-Backbone interact. energy: -3.226
local terms energy: -869.644620
where:
bonds (distance) C4'-P energy: -155.156
bonds (distance) P-C4' energy: -157.519
flat angles C4'-P-C4' energy: -176.645
flat angles P-C4'-P energy: -126.090
tors. eta vs tors. theta energy: -254.235
Dist. restrs. and SS energy: 4.567 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -2697.594384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.594384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.216499 (E_RNA)
where:
Base-Base interactions energy: -1901.594
where: short stacking energy: -801.833
Base-Backbone interact. energy: -2.165
local terms energy: -797.457465
where:
bonds (distance) C4'-P energy: -138.880
bonds (distance) P-C4' energy: -139.736
flat angles C4'-P-C4' energy: -174.655
flat angles P-C4'-P energy: -115.150
tors. eta vs tors. theta energy: -229.037
Dist. restrs. and SS energy: 3.622 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -2638.076533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.076533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.039001 (E_RNA)
where:
Base-Base interactions energy: -1859.584
where: short stacking energy: -814.193
Base-Backbone interact. energy: -2.265
local terms energy: -781.190646
where:
bonds (distance) C4'-P energy: -117.828
bonds (distance) P-C4' energy: -150.628
flat angles C4'-P-C4' energy: -164.548
flat angles P-C4'-P energy: -105.674
tors. eta vs tors. theta energy: -242.512
Dist. restrs. and SS energy: 4.962 (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: 2
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -2533.174617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.174617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.497201 (E_RNA)
where:
Base-Base interactions energy: -1789.057
where: short stacking energy: -747.333
Base-Backbone interact. energy: 2.378
local terms energy: -750.818256
where:
bonds (distance) C4'-P energy: -127.198
bonds (distance) P-C4' energy: -140.854
flat angles C4'-P-C4' energy: -171.685
flat angles P-C4'-P energy: -94.599
tors. eta vs tors. theta energy: -216.482
Dist. restrs. and SS energy: 4.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -2405.871450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.871450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.106414 (E_RNA)
where:
Base-Base interactions energy: -1704.215
where: short stacking energy: -708.501
Base-Backbone interact. energy: 0.253
local terms energy: -711.145037
where:
bonds (distance) C4'-P energy: -105.727
bonds (distance) P-C4' energy: -129.343
flat angles C4'-P-C4' energy: -158.596
flat angles P-C4'-P energy: -99.348
tors. eta vs tors. theta energy: -218.131
Dist. restrs. and SS energy: 9.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -2352.566437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.566437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.332033 (E_RNA)
where:
Base-Base interactions energy: -1651.912
where: short stacking energy: -687.087
Base-Backbone interact. energy: 5.961
local terms energy: -712.380834
where:
bonds (distance) C4'-P energy: -121.448
bonds (distance) P-C4' energy: -127.376
flat angles C4'-P-C4' energy: -160.288
flat angles P-C4'-P energy: -101.095
tors. eta vs tors. theta energy: -202.173
Dist. restrs. and SS energy: 5.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -2252.205411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.205411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.596713 (E_RNA)
where:
Base-Base interactions energy: -1576.042
where: short stacking energy: -677.739
Base-Backbone interact. energy: -1.194
local terms energy: -686.360392
where:
bonds (distance) C4'-P energy: -127.749
bonds (distance) P-C4' energy: -122.257
flat angles C4'-P-C4' energy: -136.994
flat angles P-C4'-P energy: -92.319
tors. eta vs tors. theta energy: -207.042
Dist. restrs. and SS energy: 11.391 (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: 4
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -2188.590771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.590771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.294991 (E_RNA)
where:
Base-Base interactions energy: -1543.810
where: short stacking energy: -652.968
Base-Backbone interact. energy: 2.393
local terms energy: -655.877941
where:
bonds (distance) C4'-P energy: -117.427
bonds (distance) P-C4' energy: -103.681
flat angles C4'-P-C4' energy: -152.249
flat angles P-C4'-P energy: -102.815
tors. eta vs tors. theta energy: -179.706
Dist. restrs. and SS energy: 8.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -2047.130438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.130438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.968842 (E_RNA)
where:
Base-Base interactions energy: -1432.472
where: short stacking energy: -597.185
Base-Backbone interact. energy: 1.980
local terms energy: -628.476079
where:
bonds (distance) C4'-P energy: -125.804
bonds (distance) P-C4' energy: -115.788
flat angles C4'-P-C4' energy: -139.499
flat angles P-C4'-P energy: -81.210
tors. eta vs tors. theta energy: -166.176
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: 10, replica: 7
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -1926.654408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.654408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.039996 (E_RNA)
where:
Base-Base interactions energy: -1344.097
where: short stacking energy: -553.276
Base-Backbone interact. energy: -3.962
local terms energy: -600.981319
where:
bonds (distance) C4'-P energy: -122.764
bonds (distance) P-C4' energy: -103.654
flat angles C4'-P-C4' energy: -126.625
flat angles P-C4'-P energy: -93.881
tors. eta vs tors. theta energy: -154.057
Dist. restrs. and SS energy: 22.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -2799.793988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.793988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.520374 (E_RNA)
where:
Base-Base interactions energy: -1966.613
where: short stacking energy: -828.437
Base-Backbone interact. energy: -1.963
local terms energy: -836.944403
where:
bonds (distance) C4'-P energy: -139.672
bonds (distance) P-C4' energy: -152.004
flat angles C4'-P-C4' energy: -173.643
flat angles P-C4'-P energy: -120.002
tors. eta vs tors. theta energy: -251.624
Dist. restrs. and SS energy: 5.726 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -2697.835260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.835260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.819906 (E_RNA)
where:
Base-Base interactions energy: -1893.521
where: short stacking energy: -808.383
Base-Backbone interact. energy: -0.558
local terms energy: -806.741115
where:
bonds (distance) C4'-P energy: -136.851
bonds (distance) P-C4' energy: -145.844
flat angles C4'-P-C4' energy: -170.461
flat angles P-C4'-P energy: -116.236
tors. eta vs tors. theta energy: -237.350
Dist. restrs. and SS energy: 2.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -2664.177535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.177535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.403333 (E_RNA)
where:
Base-Base interactions energy: -1851.197
where: short stacking energy: -790.001
Base-Backbone interact. energy: -3.856
local terms energy: -813.349624
where:
bonds (distance) C4'-P energy: -128.934
bonds (distance) P-C4' energy: -150.771
flat angles C4'-P-C4' energy: -174.752
flat angles P-C4'-P energy: -105.266
tors. eta vs tors. theta energy: -253.626
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: 4, replica: 6
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -2472.139632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.139632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.288647 (E_RNA)
where:
Base-Base interactions energy: -1736.744
where: short stacking energy: -758.308
Base-Backbone interact. energy: -4.519
local terms energy: -739.025452
where:
bonds (distance) C4'-P energy: -129.170
bonds (distance) P-C4' energy: -135.179
flat angles C4'-P-C4' energy: -151.352
flat angles P-C4'-P energy: -106.070
tors. eta vs tors. theta energy: -217.253
Dist. restrs. and SS energy: 8.149 (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: 2
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -2496.408065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.408065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.796764 (E_RNA)
where:
Base-Base interactions energy: -1775.468
where: short stacking energy: -736.209
Base-Backbone interact. energy: -4.409
local terms energy: -724.919369
where:
bonds (distance) C4'-P energy: -124.295
bonds (distance) P-C4' energy: -133.826
flat angles C4'-P-C4' energy: -152.548
flat angles P-C4'-P energy: -83.903
tors. eta vs tors. theta energy: -230.348
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: 6, replica: 5
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -2400.759098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.759098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.644664 (E_RNA)
where:
Base-Base interactions energy: -1698.211
where: short stacking energy: -716.954
Base-Backbone interact. energy: 0.212
local terms energy: -710.644942
where:
bonds (distance) C4'-P energy: -123.204
bonds (distance) P-C4' energy: -119.516
flat angles C4'-P-C4' energy: -149.810
flat angles P-C4'-P energy: -101.615
tors. eta vs tors. theta energy: -216.500
Dist. restrs. and SS energy: 7.886 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -2285.898546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.898546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.640147 (E_RNA)
where:
Base-Base interactions energy: -1628.342
where: short stacking energy: -691.200
Base-Backbone interact. energy: -1.935
local terms energy: -666.363486
where:
bonds (distance) C4'-P energy: -119.015
bonds (distance) P-C4' energy: -120.934
flat angles C4'-P-C4' energy: -147.260
flat angles P-C4'-P energy: -82.257
tors. eta vs tors. theta energy: -196.897
Dist. restrs. and SS energy: 10.742 (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: 4
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -2211.448237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.448237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.227901 (E_RNA)
where:
Base-Base interactions energy: -1563.974
where: short stacking energy: -655.282
Base-Backbone interact. energy: -2.063
local terms energy: -651.190593
where:
bonds (distance) C4'-P energy: -104.265
bonds (distance) P-C4' energy: -132.179
flat angles C4'-P-C4' energy: -134.336
flat angles P-C4'-P energy: -72.748
tors. eta vs tors. theta energy: -207.662
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: 9, replica: 1
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -2105.916333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.916333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.226525 (E_RNA)
where:
Base-Base interactions energy: -1486.063
where: short stacking energy: -598.682
Base-Backbone interact. energy: -1.346
local terms energy: -635.817885
where:
bonds (distance) C4'-P energy: -116.364
bonds (distance) P-C4' energy: -126.825
flat angles C4'-P-C4' energy: -143.967
flat angles P-C4'-P energy: -73.049
tors. eta vs tors. theta energy: -175.613
Dist. restrs. and SS energy: 17.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -1959.218795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.218795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.533765 (E_RNA)
where:
Base-Base interactions energy: -1379.302
where: short stacking energy: -564.959
Base-Backbone interact. energy: -2.965
local terms energy: -598.266608
where:
bonds (distance) C4'-P energy: -106.721
bonds (distance) P-C4' energy: -103.924
flat angles C4'-P-C4' energy: -140.967
flat angles P-C4'-P energy: -87.319
tors. eta vs tors. theta energy: -159.335
Dist. restrs. and SS energy: 21.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -2807.221136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.221136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.110989 (E_RNA)
where:
Base-Base interactions energy: -1954.106
where: short stacking energy: -828.268
Base-Backbone interact. energy: -4.018
local terms energy: -852.987114
where:
bonds (distance) C4'-P energy: -154.059
bonds (distance) P-C4' energy: -151.586
flat angles C4'-P-C4' energy: -173.706
flat angles P-C4'-P energy: -117.077
tors. eta vs tors. theta energy: -256.560
Dist. restrs. and SS energy: 3.890 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -2710.871581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.871581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.479189 (E_RNA)
where:
Base-Base interactions energy: -1893.734
where: short stacking energy: -828.482
Base-Backbone interact. energy: -2.058
local terms energy: -817.686489
where:
bonds (distance) C4'-P energy: -147.119
bonds (distance) P-C4' energy: -138.477
flat angles C4'-P-C4' energy: -163.252
flat angles P-C4'-P energy: -119.388
tors. eta vs tors. theta energy: -249.451
Dist. restrs. and SS energy: 2.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -2644.431929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.431929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.675446 (E_RNA)
where:
Base-Base interactions energy: -1844.378
where: short stacking energy: -780.969
Base-Backbone interact. energy: -3.124
local terms energy: -800.173756
where:
bonds (distance) C4'-P energy: -138.534
bonds (distance) P-C4' energy: -148.606
flat angles C4'-P-C4' energy: -163.399
flat angles P-C4'-P energy: -111.488
tors. eta vs tors. theta energy: -238.148
Dist. restrs. and SS energy: 3.244 (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: 6
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -2471.397350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.397350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.965281 (E_RNA)
where:
Base-Base interactions energy: -1750.696
where: short stacking energy: -739.390
Base-Backbone interact. energy: 2.530
local terms energy: -730.798819
where:
bonds (distance) C4'-P energy: -139.300
bonds (distance) P-C4' energy: -124.000
flat angles C4'-P-C4' energy: -143.988
flat angles P-C4'-P energy: -99.385
tors. eta vs tors. theta energy: -224.125
Dist. restrs. and SS energy: 7.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -2481.224746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.224746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.434966 (E_RNA)
where:
Base-Base interactions energy: -1737.540
where: short stacking energy: -731.638
Base-Backbone interact. energy: 5.159
local terms energy: -754.053362
where:
bonds (distance) C4'-P energy: -145.204
bonds (distance) P-C4' energy: -129.005
flat angles C4'-P-C4' energy: -140.362
flat angles P-C4'-P energy: -110.971
tors. eta vs tors. theta energy: -228.511
Dist. restrs. and SS energy: 5.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -2375.084016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.084016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.594920 (E_RNA)
where:
Base-Base interactions energy: -1667.912
where: short stacking energy: -677.667
Base-Backbone interact. energy: -0.830
local terms energy: -713.853101
where:
bonds (distance) C4'-P energy: -125.243
bonds (distance) P-C4' energy: -136.443
flat angles C4'-P-C4' energy: -147.600
flat angles P-C4'-P energy: -105.993
tors. eta vs tors. theta energy: -198.574
Dist. restrs. and SS energy: 7.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -2230.196735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.196735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.564341 (E_RNA)
where:
Base-Base interactions energy: -1600.654
where: short stacking energy: -682.638
Base-Backbone interact. energy: 0.274
local terms energy: -642.183988
where:
bonds (distance) C4'-P energy: -107.320
bonds (distance) P-C4' energy: -118.260
flat angles C4'-P-C4' energy: -142.595
flat angles P-C4'-P energy: -87.425
tors. eta vs tors. theta energy: -186.585
Dist. restrs. and SS energy: 12.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -2261.505262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.505262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.915653 (E_RNA)
where:
Base-Base interactions energy: -1623.158
where: short stacking energy: -689.509
Base-Backbone interact. energy: -0.683
local terms energy: -648.074029
where:
bonds (distance) C4'-P energy: -115.902
bonds (distance) P-C4' energy: -109.728
flat angles C4'-P-C4' energy: -141.741
flat angles P-C4'-P energy: -82.493
tors. eta vs tors. theta energy: -198.210
Dist. restrs. and SS energy: 10.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -2059.064582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.064582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.589454 (E_RNA)
where:
Base-Base interactions energy: -1468.752
where: short stacking energy: -604.060
Base-Backbone interact. energy: -0.643
local terms energy: -607.194955
where:
bonds (distance) C4'-P energy: -99.244
bonds (distance) P-C4' energy: -109.601
flat angles C4'-P-C4' energy: -127.222
flat angles P-C4'-P energy: -99.238
tors. eta vs tors. theta energy: -171.889
Dist. restrs. and SS energy: 17.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -1958.162095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.162095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.995464 (E_RNA)
where:
Base-Base interactions energy: -1393.474
where: short stacking energy: -561.563
Base-Backbone interact. energy: -0.660
local terms energy: -577.861576
where:
bonds (distance) C4'-P energy: -89.804
bonds (distance) P-C4' energy: -111.809
flat angles C4'-P-C4' energy: -152.982
flat angles P-C4'-P energy: -63.790
tors. eta vs tors. theta energy: -159.477
Dist. restrs. and SS energy: 13.833 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -2783.630297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.630297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.053785 (E_RNA)
where:
Base-Base interactions energy: -1946.128
where: short stacking energy: -795.222
Base-Backbone interact. energy: -2.472
local terms energy: -839.453892
where:
bonds (distance) C4'-P energy: -141.194
bonds (distance) P-C4' energy: -171.988
flat angles C4'-P-C4' energy: -161.656
flat angles P-C4'-P energy: -118.397
tors. eta vs tors. theta energy: -246.219
Dist. restrs. and SS energy: 4.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -2706.038503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.038503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.847488 (E_RNA)
where:
Base-Base interactions energy: -1907.010
where: short stacking energy: -803.599
Base-Backbone interact. energy: -3.687
local terms energy: -798.150569
where:
bonds (distance) C4'-P energy: -128.427
bonds (distance) P-C4' energy: -132.568
flat angles C4'-P-C4' energy: -180.300
flat angles P-C4'-P energy: -103.417
tors. eta vs tors. theta energy: -253.438
Dist. restrs. and SS energy: 2.809 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -2693.274567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.274567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.560361 (E_RNA)
where:
Base-Base interactions energy: -1889.019
where: short stacking energy: -804.714
Base-Backbone interact. energy: -1.847
local terms energy: -804.693921
where:
bonds (distance) C4'-P energy: -144.845
bonds (distance) P-C4' energy: -137.107
flat angles C4'-P-C4' energy: -165.496
flat angles P-C4'-P energy: -110.106
tors. eta vs tors. theta energy: -247.140
Dist. restrs. and SS energy: 2.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -2557.834264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.834264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.981910 (E_RNA)
where:
Base-Base interactions energy: -1801.064
where: short stacking energy: -761.036
Base-Backbone interact. energy: -2.577
local terms energy: -757.340835
where:
bonds (distance) C4'-P energy: -118.570
bonds (distance) P-C4' energy: -123.188
flat angles C4'-P-C4' energy: -166.432
flat angles P-C4'-P energy: -117.117
tors. eta vs tors. theta energy: -232.033
Dist. restrs. and SS energy: 3.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -2397.683849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.683849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.849072 (E_RNA)
where:
Base-Base interactions energy: -1686.546
where: short stacking energy: -683.205
Base-Backbone interact. energy: -1.797
local terms energy: -719.506317
where:
bonds (distance) C4'-P energy: -136.267
bonds (distance) P-C4' energy: -125.516
flat angles C4'-P-C4' energy: -161.551
flat angles P-C4'-P energy: -93.838
tors. eta vs tors. theta energy: -202.335
Dist. restrs. and SS energy: 10.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -2355.236821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.236821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.195501 (E_RNA)
where:
Base-Base interactions energy: -1665.146
where: short stacking energy: -697.521
Base-Backbone interact. energy: -2.750
local terms energy: -692.299271
where:
bonds (distance) C4'-P energy: -109.619
bonds (distance) P-C4' energy: -132.015
flat angles C4'-P-C4' energy: -154.525
flat angles P-C4'-P energy: -98.043
tors. eta vs tors. theta energy: -198.097
Dist. restrs. and SS energy: 4.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -2211.469264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.469264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.632696 (E_RNA)
where:
Base-Base interactions energy: -1530.394
where: short stacking energy: -648.488
Base-Backbone interact. energy: -2.674
local terms energy: -691.565225
where:
bonds (distance) C4'-P energy: -116.874
bonds (distance) P-C4' energy: -140.475
flat angles C4'-P-C4' energy: -137.772
flat angles P-C4'-P energy: -94.411
tors. eta vs tors. theta energy: -202.032
Dist. restrs. and SS energy: 13.163 (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: 4
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -2212.022702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.022702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.936335 (E_RNA)
where:
Base-Base interactions energy: -1574.756
where: short stacking energy: -651.069
Base-Backbone interact. energy: -2.030
local terms energy: -648.150023
where:
bonds (distance) C4'-P energy: -106.114
bonds (distance) P-C4' energy: -118.577
flat angles C4'-P-C4' energy: -144.383
flat angles P-C4'-P energy: -89.525
tors. eta vs tors. theta energy: -189.551
Dist. restrs. and SS energy: 12.914 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -2103.852601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.852601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.604153 (E_RNA)
where:
Base-Base interactions energy: -1507.901
where: short stacking energy: -617.565
Base-Backbone interact. energy: 3.149
local terms energy: -617.852592
where:
bonds (distance) C4'-P energy: -115.493
bonds (distance) P-C4' energy: -118.308
flat angles C4'-P-C4' energy: -133.923
flat angles P-C4'-P energy: -78.858
tors. eta vs tors. theta energy: -171.271
Dist. restrs. and SS energy: 18.752 (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: 7
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -1935.006622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.006622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.512103 (E_RNA)
where:
Base-Base interactions energy: -1352.476
where: short stacking energy: -588.874
Base-Backbone interact. energy: -3.144
local terms energy: -595.892705
where:
bonds (distance) C4'-P energy: -110.629
bonds (distance) P-C4' energy: -110.225
flat angles C4'-P-C4' energy: -131.899
flat angles P-C4'-P energy: -84.610
tors. eta vs tors. theta energy: -158.531
Dist. restrs. and SS energy: 16.505 (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: 3
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -2776.302632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.302632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.965562 (E_RNA)
where:
Base-Base interactions energy: -1942.985
where: short stacking energy: -823.559
Base-Backbone interact. energy: -1.296
local terms energy: -838.684693
where:
bonds (distance) C4'-P energy: -143.790
bonds (distance) P-C4' energy: -160.260
flat angles C4'-P-C4' energy: -172.205
flat angles P-C4'-P energy: -114.151
tors. eta vs tors. theta energy: -248.278
Dist. restrs. and SS energy: 6.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -2686.367718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.367718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.490227 (E_RNA)
where:
Base-Base interactions energy: -1879.773
where: short stacking energy: -791.448
Base-Backbone interact. energy: 0.188
local terms energy: -809.905309
where:
bonds (distance) C4'-P energy: -130.432
bonds (distance) P-C4' energy: -146.120
flat angles C4'-P-C4' energy: -168.249
flat angles P-C4'-P energy: -124.068
tors. eta vs tors. theta energy: -241.037
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: 3, replica: 10
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -2672.373475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.373475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.533362 (E_RNA)
where:
Base-Base interactions energy: -1876.196
where: short stacking energy: -807.756
Base-Backbone interact. energy: 0.230
local terms energy: -800.567284
where:
bonds (distance) C4'-P energy: -129.932
bonds (distance) P-C4' energy: -144.858
flat angles C4'-P-C4' energy: -166.969
flat angles P-C4'-P energy: -107.696
tors. eta vs tors. theta energy: -251.112
Dist. restrs. and SS energy: 4.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -2547.577234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.577234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.981838 (E_RNA)
where:
Base-Base interactions energy: -1781.199
where: short stacking energy: -760.535
Base-Backbone interact. energy: -1.408
local terms energy: -769.375012
where:
bonds (distance) C4'-P energy: -142.026
bonds (distance) P-C4' energy: -144.200
flat angles C4'-P-C4' energy: -155.335
flat angles P-C4'-P energy: -104.551
tors. eta vs tors. theta energy: -223.263
Dist. restrs. and SS energy: 4.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -2416.951409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.951409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.409604 (E_RNA)
where:
Base-Base interactions energy: -1682.101
where: short stacking energy: -711.941
Base-Backbone interact. energy: -2.526
local terms energy: -735.783062
where:
bonds (distance) C4'-P energy: -132.673
bonds (distance) P-C4' energy: -136.717
flat angles C4'-P-C4' energy: -157.395
flat angles P-C4'-P energy: -97.508
tors. eta vs tors. theta energy: -211.490
Dist. restrs. and SS energy: 3.458 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -2319.027255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.027255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.731504 (E_RNA)
where:
Base-Base interactions energy: -1652.148
where: short stacking energy: -683.298
Base-Backbone interact. energy: 0.279
local terms energy: -673.862183
where:
bonds (distance) C4'-P energy: -115.120
bonds (distance) P-C4' energy: -124.963
flat angles C4'-P-C4' energy: -134.961
flat angles P-C4'-P energy: -110.408
tors. eta vs tors. theta energy: -188.411
Dist. restrs. and SS energy: 6.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -2241.273977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.273977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.972868 (E_RNA)
where:
Base-Base interactions energy: -1582.388
where: short stacking energy: -679.024
Base-Backbone interact. energy: -4.991
local terms energy: -664.594272
where:
bonds (distance) C4'-P energy: -111.880
bonds (distance) P-C4' energy: -114.997
flat angles C4'-P-C4' energy: -141.461
flat angles P-C4'-P energy: -102.502
tors. eta vs tors. theta energy: -193.754
Dist. restrs. and SS energy: 10.699 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -2201.759826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.759826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.711813 (E_RNA)
where:
Base-Base interactions energy: -1553.658
where: short stacking energy: -634.830
Base-Backbone interact. energy: -0.681
local terms energy: -656.372910
where:
bonds (distance) C4'-P energy: -114.886
bonds (distance) P-C4' energy: -124.566
flat angles C4'-P-C4' energy: -139.366
flat angles P-C4'-P energy: -82.411
tors. eta vs tors. theta energy: -195.144
Dist. restrs. and SS energy: 8.952 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -2105.648644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.648644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.579257 (E_RNA)
where:
Base-Base interactions energy: -1514.135
where: short stacking energy: -625.307
Base-Backbone interact. energy: -3.752
local terms energy: -602.692958
where:
bonds (distance) C4'-P energy: -115.817
bonds (distance) P-C4' energy: -112.241
flat angles C4'-P-C4' energy: -130.999
flat angles P-C4'-P energy: -72.315
tors. eta vs tors. theta energy: -171.321
Dist. restrs. and SS energy: 14.931 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -1940.059601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.059601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.261630 (E_RNA)
where:
Base-Base interactions energy: -1377.567
where: short stacking energy: -583.534
Base-Backbone interact. energy: -0.468
local terms energy: -584.226164
where:
bonds (distance) C4'-P energy: -115.724
bonds (distance) P-C4' energy: -109.024
flat angles C4'-P-C4' energy: -118.251
flat angles P-C4'-P energy: -85.563
tors. eta vs tors. theta energy: -155.664
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: 3
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -2767.548922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.548922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.190397 (E_RNA)
where:
Base-Base interactions energy: -1938.093
where: short stacking energy: -809.420
Base-Backbone interact. energy: 0.484
local terms energy: -836.581227
where:
bonds (distance) C4'-P energy: -145.804
bonds (distance) P-C4' energy: -155.202
flat angles C4'-P-C4' energy: -169.862
flat angles P-C4'-P energy: -124.282
tors. eta vs tors. theta energy: -241.431
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: 2, replica: 8
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -2715.295196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.295196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.017637 (E_RNA)
where:
Base-Base interactions energy: -1891.641
where: short stacking energy: -815.432
Base-Backbone interact. energy: 2.832
local terms energy: -830.209185
where:
bonds (distance) C4'-P energy: -147.567
bonds (distance) P-C4' energy: -148.008
flat angles C4'-P-C4' energy: -165.782
flat angles P-C4'-P energy: -120.751
tors. eta vs tors. theta energy: -248.102
Dist. restrs. and SS energy: 3.722 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -2640.609695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.609695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.590625 (E_RNA)
where:
Base-Base interactions energy: -1844.285
where: short stacking energy: -791.227
Base-Backbone interact. energy: -3.560
local terms energy: -794.745280
where:
bonds (distance) C4'-P energy: -145.575
bonds (distance) P-C4' energy: -134.123
flat angles C4'-P-C4' energy: -169.084
flat angles P-C4'-P energy: -105.058
tors. eta vs tors. theta energy: -240.905
Dist. restrs. and SS energy: 1.981 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -2556.601164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.601164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.655796 (E_RNA)
where:
Base-Base interactions energy: -1793.699
where: short stacking energy: -766.667
Base-Backbone interact. energy: -4.702
local terms energy: -763.254911
where:
bonds (distance) C4'-P energy: -133.107
bonds (distance) P-C4' energy: -140.831
flat angles C4'-P-C4' energy: -150.052
flat angles P-C4'-P energy: -110.854
tors. eta vs tors. theta energy: -228.411
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: 5
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -2414.662837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.662837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.020853 (E_RNA)
where:
Base-Base interactions energy: -1687.107
where: short stacking energy: -718.267
Base-Backbone interact. energy: 0.900
local terms energy: -732.814479
where:
bonds (distance) C4'-P energy: -131.626
bonds (distance) P-C4' energy: -115.154
flat angles C4'-P-C4' energy: -165.445
flat angles P-C4'-P energy: -101.930
tors. eta vs tors. theta energy: -218.659
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: 6, replica: 6
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -2358.614745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.614745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.447658 (E_RNA)
where:
Base-Base interactions energy: -1646.086
where: short stacking energy: -679.787
Base-Backbone interact. energy: -0.367
local terms energy: -719.994927
where:
bonds (distance) C4'-P energy: -117.478
bonds (distance) P-C4' energy: -115.147
flat angles C4'-P-C4' energy: -162.200
flat angles P-C4'-P energy: -107.289
tors. eta vs tors. theta energy: -217.882
Dist. restrs. and SS energy: 7.833 (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: 9
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -2234.410065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.410065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.573546 (E_RNA)
where:
Base-Base interactions energy: -1567.196
where: short stacking energy: -660.633
Base-Backbone interact. energy: -2.390
local terms energy: -674.988230
where:
bonds (distance) C4'-P energy: -123.736
bonds (distance) P-C4' energy: -133.433
flat angles C4'-P-C4' energy: -137.757
flat angles P-C4'-P energy: -82.348
tors. eta vs tors. theta energy: -197.714
Dist. restrs. and SS energy: 10.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -2228.364918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.364918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.691516 (E_RNA)
where:
Base-Base interactions energy: -1571.172
where: short stacking energy: -674.706
Base-Backbone interact. energy: -1.745
local terms energy: -664.774648
where:
bonds (distance) C4'-P energy: -110.724
bonds (distance) P-C4' energy: -124.060
flat angles C4'-P-C4' energy: -137.616
flat angles P-C4'-P energy: -99.473
tors. eta vs tors. theta energy: -192.902
Dist. restrs. and SS energy: 9.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -2030.344194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.344194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.509051 (E_RNA)
where:
Base-Base interactions energy: -1439.688
where: short stacking energy: -586.738
Base-Backbone interact. energy: -0.467
local terms energy: -603.353623
where:
bonds (distance) C4'-P energy: -111.050
bonds (distance) P-C4' energy: -103.211
flat angles C4'-P-C4' energy: -127.935
flat angles P-C4'-P energy: -88.565
tors. eta vs tors. theta energy: -172.593
Dist. restrs. and SS energy: 13.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -1947.849837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.849837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.581652 (E_RNA)
where:
Base-Base interactions energy: -1383.476
where: short stacking energy: -570.975
Base-Backbone interact. energy: 5.231
local terms energy: -593.336220
where:
bonds (distance) C4'-P energy: -110.365
bonds (distance) P-C4' energy: -130.302
flat angles C4'-P-C4' energy: -131.300
flat angles P-C4'-P energy: -66.227
tors. eta vs tors. theta energy: -155.142
Dist. restrs. and SS energy: 23.732 (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: 3
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -2757.177345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2757.177345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.042502 (E_RNA)
where:
Base-Base interactions energy: -1939.887
where: short stacking energy: -817.890
Base-Backbone interact. energy: -4.256
local terms energy: -815.899111
where:
bonds (distance) C4'-P energy: -147.812
bonds (distance) P-C4' energy: -142.995
flat angles C4'-P-C4' energy: -164.740
flat angles P-C4'-P energy: -107.153
tors. eta vs tors. theta energy: -253.199
Dist. restrs. and SS energy: 2.865 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -2718.046498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.046498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.117834 (E_RNA)
where:
Base-Base interactions energy: -1919.576
where: short stacking energy: -794.832
Base-Backbone interact. energy: -1.744
local terms energy: -797.797982
where:
bonds (distance) C4'-P energy: -141.380
bonds (distance) P-C4' energy: -139.128
flat angles C4'-P-C4' energy: -167.082
flat angles P-C4'-P energy: -114.551
tors. eta vs tors. theta energy: -235.657
Dist. restrs. and SS energy: 1.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -2647.051468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.051468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.689159 (E_RNA)
where:
Base-Base interactions energy: -1865.402
where: short stacking energy: -776.877
Base-Backbone interact. energy: -2.480
local terms energy: -783.807467
where:
bonds (distance) C4'-P energy: -122.115
bonds (distance) P-C4' energy: -143.554
flat angles C4'-P-C4' energy: -169.090
flat angles P-C4'-P energy: -111.205
tors. eta vs tors. theta energy: -237.843
Dist. restrs. and SS energy: 4.638 (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: 2
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -2533.358522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.358522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.001134 (E_RNA)
where:
Base-Base interactions energy: -1769.461
where: short stacking energy: -755.056
Base-Backbone interact. energy: -2.120
local terms energy: -765.420231
where:
bonds (distance) C4'-P energy: -133.542
bonds (distance) P-C4' energy: -122.498
flat angles C4'-P-C4' energy: -172.368
flat angles P-C4'-P energy: -112.999
tors. eta vs tors. theta energy: -224.013
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: 5
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -2440.222935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.222935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.776085 (E_RNA)
where:
Base-Base interactions energy: -1678.250
where: short stacking energy: -709.665
Base-Backbone interact. energy: 0.209
local terms energy: -764.734878
where:
bonds (distance) C4'-P energy: -127.093
bonds (distance) P-C4' energy: -152.056
flat angles C4'-P-C4' energy: -151.476
flat angles P-C4'-P energy: -116.746
tors. eta vs tors. theta energy: -217.364
Dist. restrs. and SS energy: 2.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -2342.107163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.107163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.956593 (E_RNA)
where:
Base-Base interactions energy: -1653.200
where: short stacking energy: -697.442
Base-Backbone interact. energy: 4.061
local terms energy: -699.817323
where:
bonds (distance) C4'-P energy: -107.382
bonds (distance) P-C4' energy: -130.540
flat angles C4'-P-C4' energy: -149.233
flat angles P-C4'-P energy: -110.091
tors. eta vs tors. theta energy: -202.570
Dist. restrs. and SS energy: 6.849 (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: 4
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -2311.271482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.271482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.439032 (E_RNA)
where:
Base-Base interactions energy: -1633.658
where: short stacking energy: -680.520
Base-Backbone interact. energy: -3.041
local terms energy: -685.739501
where:
bonds (distance) C4'-P energy: -129.987
bonds (distance) P-C4' energy: -126.915
flat angles C4'-P-C4' energy: -144.315
flat angles P-C4'-P energy: -75.915
tors. eta vs tors. theta energy: -208.608
Dist. restrs. and SS energy: 11.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -2197.983638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.983638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.216471 (E_RNA)
where:
Base-Base interactions energy: -1534.967
where: short stacking energy: -643.310
Base-Backbone interact. energy: -2.968
local terms energy: -675.281548
where:
bonds (distance) C4'-P energy: -140.516
bonds (distance) P-C4' energy: -118.420
flat angles C4'-P-C4' energy: -141.450
flat angles P-C4'-P energy: -90.551
tors. eta vs tors. theta energy: -184.344
Dist. restrs. and SS energy: 15.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -2029.231659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.231659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.709109 (E_RNA)
where:
Base-Base interactions energy: -1424.630
where: short stacking energy: -586.929
Base-Backbone interact. energy: -3.421
local terms energy: -620.658343
where:
bonds (distance) C4'-P energy: -104.289
bonds (distance) P-C4' energy: -127.102
flat angles C4'-P-C4' energy: -134.998
flat angles P-C4'-P energy: -82.494
tors. eta vs tors. theta energy: -171.776
Dist. restrs. and SS energy: 19.477 (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: 7
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -1942.690146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.690146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.504092 (E_RNA)
where:
Base-Base interactions energy: -1373.359
where: short stacking energy: -568.185
Base-Backbone interact. energy: -1.538
local terms energy: -590.606986
where:
bonds (distance) C4'-P energy: -104.272
bonds (distance) P-C4' energy: -116.275
flat angles C4'-P-C4' energy: -127.981
flat angles P-C4'-P energy: -69.835
tors. eta vs tors. theta energy: -172.244
Dist. restrs. and SS energy: 22.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -2808.392417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.392417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.820403 (E_RNA)
where:
Base-Base interactions energy: -1961.740
where: short stacking energy: -825.737
Base-Backbone interact. energy: -2.826
local terms energy: -847.253980
where:
bonds (distance) C4'-P energy: -144.199
bonds (distance) P-C4' energy: -155.672
flat angles C4'-P-C4' energy: -177.004
flat angles P-C4'-P energy: -114.105
tors. eta vs tors. theta energy: -256.273
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: 8
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -2675.979321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.979321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.567440 (E_RNA)
where:
Base-Base interactions energy: -1866.743
where: short stacking energy: -808.194
Base-Backbone interact. energy: 0.432
local terms energy: -812.256725
where:
bonds (distance) C4'-P energy: -127.977
bonds (distance) P-C4' energy: -149.333
flat angles C4'-P-C4' energy: -169.707
flat angles P-C4'-P energy: -113.212
tors. eta vs tors. theta energy: -252.028
Dist. restrs. and SS energy: 2.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -2653.828167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.828167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.301466 (E_RNA)
where:
Base-Base interactions energy: -1876.978
where: short stacking energy: -814.840
Base-Backbone interact. energy: -2.690
local terms energy: -779.633378
where:
bonds (distance) C4'-P energy: -131.428
bonds (distance) P-C4' energy: -145.344
flat angles C4'-P-C4' energy: -165.793
flat angles P-C4'-P energy: -101.490
tors. eta vs tors. theta energy: -235.578
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: 4, replica: 2
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -2532.213117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.213117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.918847 (E_RNA)
where:
Base-Base interactions energy: -1767.292
where: short stacking energy: -752.045
Base-Backbone interact. energy: 3.665
local terms energy: -771.292286
where:
bonds (distance) C4'-P energy: -129.152
bonds (distance) P-C4' energy: -140.496
flat angles C4'-P-C4' energy: -167.225
flat angles P-C4'-P energy: -102.140
tors. eta vs tors. theta energy: -232.280
Dist. restrs. and SS energy: 2.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -2433.022989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.022989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.986811 (E_RNA)
where:
Base-Base interactions energy: -1679.430
where: short stacking energy: -695.676
Base-Backbone interact. energy: 2.130
local terms energy: -759.686189
where:
bonds (distance) C4'-P energy: -131.468
bonds (distance) P-C4' energy: -151.854
flat angles C4'-P-C4' energy: -158.168
flat angles P-C4'-P energy: -106.005
tors. eta vs tors. theta energy: -212.190
Dist. restrs. and SS energy: 3.964 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -2323.572411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.572411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.716211 (E_RNA)
where:
Base-Base interactions energy: -1637.761
where: short stacking energy: -680.464
Base-Backbone interact. energy: 0.543
local terms energy: -693.498540
where:
bonds (distance) C4'-P energy: -136.568
bonds (distance) P-C4' energy: -109.399
flat angles C4'-P-C4' energy: -139.432
flat angles P-C4'-P energy: -99.603
tors. eta vs tors. theta energy: -208.497
Dist. restrs. and SS energy: 7.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -2296.840073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.840073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.754464 (E_RNA)
where:
Base-Base interactions energy: -1602.117
where: short stacking energy: -652.748
Base-Backbone interact. energy: -1.819
local terms energy: -702.818146
where:
bonds (distance) C4'-P energy: -136.399
bonds (distance) P-C4' energy: -138.166
flat angles C4'-P-C4' energy: -140.520
flat angles P-C4'-P energy: -85.487
tors. eta vs tors. theta energy: -202.246
Dist. restrs. and SS energy: 9.914 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -2213.989356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.989356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.342112 (E_RNA)
where:
Base-Base interactions energy: -1567.628
where: short stacking energy: -643.432
Base-Backbone interact. energy: -3.473
local terms energy: -666.241032
where:
bonds (distance) C4'-P energy: -115.774
bonds (distance) P-C4' energy: -119.849
flat angles C4'-P-C4' energy: -150.791
flat angles P-C4'-P energy: -87.591
tors. eta vs tors. theta energy: -192.235
Dist. restrs. and SS energy: 23.353 (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: 1
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -2028.146244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.146244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.268626 (E_RNA)
where:
Base-Base interactions energy: -1429.457
where: short stacking energy: -594.931
Base-Backbone interact. energy: 0.890
local terms energy: -615.700776
where:
bonds (distance) C4'-P energy: -116.005
bonds (distance) P-C4' energy: -109.546
flat angles C4'-P-C4' energy: -138.106
flat angles P-C4'-P energy: -73.992
tors. eta vs tors. theta energy: -178.051
Dist. restrs. and SS energy: 16.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -1946.990976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.990976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.727843 (E_RNA)
where:
Base-Base interactions energy: -1367.225
where: short stacking energy: -553.510
Base-Backbone interact. energy: -4.913
local terms energy: -594.589519
where:
bonds (distance) C4'-P energy: -136.665
bonds (distance) P-C4' energy: -102.881
flat angles C4'-P-C4' energy: -128.617
flat angles P-C4'-P energy: -77.095
tors. eta vs tors. theta energy: -149.332
Dist. restrs. and SS energy: 19.737 (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: 3
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -2793.211278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.211278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.701171 (E_RNA)
where:
Base-Base interactions energy: -1967.912
where: short stacking energy: -819.327
Base-Backbone interact. energy: -2.438
local terms energy: -825.350970
where:
bonds (distance) C4'-P energy: -137.551
bonds (distance) P-C4' energy: -143.657
flat angles C4'-P-C4' energy: -170.890
flat angles P-C4'-P energy: -121.424
tors. eta vs tors. theta energy: -251.829
Dist. restrs. and SS energy: 2.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -2668.063442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.063442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.948125 (E_RNA)
where:
Base-Base interactions energy: -1870.325
where: short stacking energy: -789.465
Base-Backbone interact. energy: -4.404
local terms energy: -797.218666
where:
bonds (distance) C4'-P energy: -131.481
bonds (distance) P-C4' energy: -144.690
flat angles C4'-P-C4' energy: -166.869
flat angles P-C4'-P energy: -115.534
tors. eta vs tors. theta energy: -238.643
Dist. restrs. and SS energy: 3.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -2648.076946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.076946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.078872 (E_RNA)
where:
Base-Base interactions energy: -1854.549
where: short stacking energy: -787.962
Base-Backbone interact. energy: -3.416
local terms energy: -794.114028
where:
bonds (distance) C4'-P energy: -132.207
bonds (distance) P-C4' energy: -143.484
flat angles C4'-P-C4' energy: -168.866
flat angles P-C4'-P energy: -108.900
tors. eta vs tors. theta energy: -240.658
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: 2
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -2551.897621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.897621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.113417 (E_RNA)
where:
Base-Base interactions energy: -1770.775
where: short stacking energy: -754.210
Base-Backbone interact. energy: 0.897
local terms energy: -785.235834
where:
bonds (distance) C4'-P energy: -141.824
bonds (distance) P-C4' energy: -129.194
flat angles C4'-P-C4' energy: -163.096
flat angles P-C4'-P energy: -124.834
tors. eta vs tors. theta energy: -226.287
Dist. restrs. and SS energy: 3.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -2457.113105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.113105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.105165 (E_RNA)
where:
Base-Base interactions energy: -1751.590
where: short stacking energy: -738.912
Base-Backbone interact. energy: -1.541
local terms energy: -708.973680
where:
bonds (distance) C4'-P energy: -134.506
bonds (distance) P-C4' energy: -128.620
flat angles C4'-P-C4' energy: -137.155
flat angles P-C4'-P energy: -95.608
tors. eta vs tors. theta energy: -213.084
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: 6, replica: 6
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -2346.432398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.432398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.427566 (E_RNA)
where:
Base-Base interactions energy: -1652.263
where: short stacking energy: -700.895
Base-Backbone interact. energy: 0.483
local terms energy: -698.647410
where:
bonds (distance) C4'-P energy: -117.933
bonds (distance) P-C4' energy: -132.730
flat angles C4'-P-C4' energy: -146.592
flat angles P-C4'-P energy: -99.582
tors. eta vs tors. theta energy: -201.810
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: 7, replica: 4
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -2252.400105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.400105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.566228 (E_RNA)
where:
Base-Base interactions energy: -1593.338
where: short stacking energy: -653.814
Base-Backbone interact. energy: 5.199
local terms energy: -672.427775
where:
bonds (distance) C4'-P energy: -110.285
bonds (distance) P-C4' energy: -135.230
flat angles C4'-P-C4' energy: -130.183
flat angles P-C4'-P energy: -97.813
tors. eta vs tors. theta energy: -198.917
Dist. restrs. and SS energy: 8.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -2204.946784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.946784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.043074 (E_RNA)
where:
Base-Base interactions energy: -1579.478
where: short stacking energy: -649.773
Base-Backbone interact. energy: -1.681
local terms energy: -634.884936
where:
bonds (distance) C4'-P energy: -104.060
bonds (distance) P-C4' energy: -124.171
flat angles C4'-P-C4' energy: -125.203
flat angles P-C4'-P energy: -100.335
tors. eta vs tors. theta energy: -181.116
Dist. restrs. and SS energy: 11.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -2076.734657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.734657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.056326 (E_RNA)
where:
Base-Base interactions energy: -1458.090
where: short stacking energy: -597.069
Base-Backbone interact. energy: -1.535
local terms energy: -635.432152
where:
bonds (distance) C4'-P energy: -120.152
bonds (distance) P-C4' energy: -116.321
flat angles C4'-P-C4' energy: -142.362
flat angles P-C4'-P energy: -75.542
tors. eta vs tors. theta energy: -181.055
Dist. restrs. and SS energy: 18.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -2028.134137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.134137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.743763 (E_RNA)
where:
Base-Base interactions energy: -1398.567
where: short stacking energy: -553.286
Base-Backbone interact. energy: -1.144
local terms energy: -643.032890
where:
bonds (distance) C4'-P energy: -112.540
bonds (distance) P-C4' energy: -130.313
flat angles C4'-P-C4' energy: -139.179
flat angles P-C4'-P energy: -100.012
tors. eta vs tors. theta energy: -160.989
Dist. restrs. and SS energy: 14.610 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -2793.816349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.816349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.455605 (E_RNA)
where:
Base-Base interactions energy: -1969.394
where: short stacking energy: -805.845
Base-Backbone interact. energy: -2.780
local terms energy: -824.282324
where:
bonds (distance) C4'-P energy: -157.536
bonds (distance) P-C4' energy: -137.118
flat angles C4'-P-C4' energy: -162.660
flat angles P-C4'-P energy: -115.741
tors. eta vs tors. theta energy: -251.226
Dist. restrs. and SS energy: 2.639 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -2671.015483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.015483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.683740 (E_RNA)
where:
Base-Base interactions energy: -1855.603
where: short stacking energy: -800.251
Base-Backbone interact. energy: -1.259
local terms energy: -816.822024
where:
bonds (distance) C4'-P energy: -138.368
bonds (distance) P-C4' energy: -150.905
flat angles C4'-P-C4' energy: -165.409
flat angles P-C4'-P energy: -115.236
tors. eta vs tors. theta energy: -246.904
Dist. restrs. and SS energy: 2.668 (S_DIST_RNA)
chem. 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: -2674.165589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.165589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.422743 (E_RNA)
where:
Base-Base interactions energy: -1885.215
where: short stacking energy: -809.903
Base-Backbone interact. energy: -3.372
local terms energy: -789.835983
where:
bonds (distance) C4'-P energy: -145.036
bonds (distance) P-C4' energy: -130.910
flat angles C4'-P-C4' energy: -168.342
flat angles P-C4'-P energy: -105.319
tors. eta vs tors. theta energy: -240.229
Dist. restrs. and SS energy: 4.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -2496.254786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.254786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.030117 (E_RNA)
where:
Base-Base interactions energy: -1730.146
where: short stacking energy: -728.828
Base-Backbone interact. energy: -3.999
local terms energy: -766.885447
where:
bonds (distance) C4'-P energy: -143.760
bonds (distance) P-C4' energy: -134.356
flat angles C4'-P-C4' energy: -166.047
flat angles P-C4'-P energy: -98.024
tors. eta vs tors. theta energy: -224.699
Dist. restrs. and SS energy: 4.775 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -2487.871738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.871738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.467890 (E_RNA)
where:
Base-Base interactions energy: -1735.025
where: short stacking energy: -709.155
Base-Backbone interact. energy: -2.159
local terms energy: -754.283443
where:
bonds (distance) C4'-P energy: -133.929
bonds (distance) P-C4' energy: -128.630
flat angles C4'-P-C4' energy: -162.148
flat angles P-C4'-P energy: -112.062
tors. eta vs tors. theta energy: -217.514
Dist. restrs. and SS energy: 3.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -2354.766422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.766422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.446548 (E_RNA)
where:
Base-Base interactions energy: -1640.327
where: short stacking energy: -696.214
Base-Backbone interact. energy: 1.221
local terms energy: -723.340595
where:
bonds (distance) C4'-P energy: -134.859
bonds (distance) P-C4' energy: -125.271
flat angles C4'-P-C4' energy: -144.957
flat angles P-C4'-P energy: -102.184
tors. eta vs tors. theta energy: -216.070
Dist. restrs. and SS energy: 7.680 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -2238.797952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.797952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.881899 (E_RNA)
where:
Base-Base interactions energy: -1594.765
where: short stacking energy: -684.490
Base-Backbone interact. energy: -0.443
local terms energy: -657.673169
where:
bonds (distance) C4'-P energy: -117.125
bonds (distance) P-C4' energy: -118.762
flat angles C4'-P-C4' energy: -139.303
flat angles P-C4'-P energy: -93.697
tors. eta vs tors. theta energy: -188.786
Dist. restrs. and SS energy: 14.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -2168.213293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.213293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.845036 (E_RNA)
where:
Base-Base interactions energy: -1546.160
where: short stacking energy: -650.675
Base-Backbone interact. energy: -4.589
local terms energy: -634.096000
where:
bonds (distance) C4'-P energy: -120.948
bonds (distance) P-C4' energy: -119.819
flat angles C4'-P-C4' energy: -140.949
flat angles P-C4'-P energy: -78.771
tors. eta vs tors. theta energy: -173.609
Dist. restrs. and SS energy: 16.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -2072.750448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.750448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.275671 (E_RNA)
where:
Base-Base interactions energy: -1486.298
where: short stacking energy: -627.225
Base-Backbone interact. energy: -3.585
local terms energy: -606.392870
where:
bonds (distance) C4'-P energy: -112.971
bonds (distance) P-C4' energy: -108.591
flat angles C4'-P-C4' energy: -132.116
flat angles P-C4'-P energy: -81.045
tors. eta vs tors. theta energy: -171.671
Dist. restrs. and SS energy: 23.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -1974.711776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.711776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.288307 (E_RNA)
where:
Base-Base interactions energy: -1403.114
where: short stacking energy: -589.102
Base-Backbone interact. energy: 1.405
local terms energy: -591.579496
where:
bonds (distance) C4'-P energy: -89.653
bonds (distance) P-C4' energy: -126.804
flat angles C4'-P-C4' energy: -135.482
flat angles P-C4'-P energy: -85.974
tors. eta vs tors. theta energy: -153.666
Dist. restrs. and SS energy: 18.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -2774.355646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.355646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.264931 (E_RNA)
where:
Base-Base interactions energy: -1966.789
where: short stacking energy: -832.063
Base-Backbone interact. energy: -1.073
local terms energy: -810.403206
where:
bonds (distance) C4'-P energy: -125.243
bonds (distance) P-C4' energy: -146.620
flat angles C4'-P-C4' energy: -169.626
flat angles P-C4'-P energy: -121.505
tors. eta vs tors. theta energy: -247.408
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: 8
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -2722.211561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.211561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2725.579140 (E_RNA)
where:
Base-Base interactions energy: -1887.914
where: short stacking energy: -822.564
Base-Backbone interact. energy: -1.817
local terms energy: -835.848544
where:
bonds (distance) C4'-P energy: -134.240
bonds (distance) P-C4' energy: -144.045
flat angles C4'-P-C4' energy: -167.192
flat angles P-C4'-P energy: -135.400
tors. eta vs tors. theta energy: -254.971
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: 10
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -2641.333612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.333612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.650680 (E_RNA)
where:
Base-Base interactions energy: -1855.226
where: short stacking energy: -808.226
Base-Backbone interact. energy: -1.267
local terms energy: -789.157697
where:
bonds (distance) C4'-P energy: -140.733
bonds (distance) P-C4' energy: -137.593
flat angles C4'-P-C4' energy: -161.309
flat angles P-C4'-P energy: -109.088
tors. eta vs tors. theta energy: -240.435
Dist. restrs. and SS energy: 4.317 (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: 5
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -2486.095913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.095913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.384681 (E_RNA)
where:
Base-Base interactions energy: -1744.432
where: short stacking energy: -751.113
Base-Backbone interact. energy: 0.279
local terms energy: -748.232158
where:
bonds (distance) C4'-P energy: -131.400
bonds (distance) P-C4' energy: -133.454
flat angles C4'-P-C4' energy: -158.662
flat angles P-C4'-P energy: -99.561
tors. eta vs tors. theta energy: -225.156
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: 5, replica: 2
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -2510.426268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.426268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.069890 (E_RNA)
where:
Base-Base interactions energy: -1741.340
where: short stacking energy: -752.611
Base-Backbone interact. energy: -0.998
local terms energy: -771.732350
where:
bonds (distance) C4'-P energy: -137.884
bonds (distance) P-C4' energy: -133.954
flat angles C4'-P-C4' energy: -158.817
flat angles P-C4'-P energy: -107.342
tors. eta vs tors. theta energy: -233.735
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: 6, replica: 6
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -2349.488252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.488252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.650597 (E_RNA)
where:
Base-Base interactions energy: -1661.655
where: short stacking energy: -687.997
Base-Backbone interact. energy: 0.539
local terms energy: -693.534983
where:
bonds (distance) C4'-P energy: -123.620
bonds (distance) P-C4' energy: -132.096
flat angles C4'-P-C4' energy: -144.259
flat angles P-C4'-P energy: -92.389
tors. eta vs tors. theta energy: -201.171
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: 7, replica: 4
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -2284.749170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.749170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.379452 (E_RNA)
where:
Base-Base interactions energy: -1603.273
where: short stacking energy: -683.912
Base-Backbone interact. energy: -5.071
local terms energy: -685.035790
where:
bonds (distance) C4'-P energy: -111.432
bonds (distance) P-C4' energy: -133.162
flat angles C4'-P-C4' energy: -145.348
flat angles P-C4'-P energy: -108.197
tors. eta vs tors. theta energy: -186.897
Dist. restrs. and SS energy: 8.630 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -2145.663560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.663560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.562382 (E_RNA)
where:
Base-Base interactions energy: -1517.793
where: short stacking energy: -618.542
Base-Backbone interact. energy: -3.324
local terms energy: -640.444777
where:
bonds (distance) C4'-P energy: -122.344
bonds (distance) P-C4' energy: -124.368
flat angles C4'-P-C4' energy: -138.592
flat angles P-C4'-P energy: -78.852
tors. eta vs tors. theta energy: -176.289
Dist. restrs. and SS energy: 15.899 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -2116.455567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.455567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.044258 (E_RNA)
where:
Base-Base interactions energy: -1490.999
where: short stacking energy: -601.792
Base-Backbone interact. energy: -3.277
local terms energy: -642.767587
where:
bonds (distance) C4'-P energy: -127.516
bonds (distance) P-C4' energy: -90.944
flat angles C4'-P-C4' energy: -142.302
flat angles P-C4'-P energy: -95.024
tors. eta vs tors. theta energy: -186.982
Dist. restrs. and SS energy: 20.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -1959.164690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.164690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.559024 (E_RNA)
where:
Base-Base interactions energy: -1397.192
where: short stacking energy: -557.918
Base-Backbone interact. energy: -2.876
local terms energy: -584.491391
where:
bonds (distance) C4'-P energy: -97.491
bonds (distance) P-C4' energy: -125.840
flat angles C4'-P-C4' energy: -113.481
flat angles P-C4'-P energy: -88.178
tors. eta vs tors. theta energy: -159.501
Dist. restrs. and SS energy: 25.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -2794.083958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.083958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.418113 (E_RNA)
where:
Base-Base interactions energy: -1961.350
where: short stacking energy: -829.753
Base-Backbone interact. energy: -0.921
local terms energy: -836.147584
where:
bonds (distance) C4'-P energy: -143.377
bonds (distance) P-C4' energy: -150.648
flat angles C4'-P-C4' energy: -165.754
flat angles P-C4'-P energy: -115.409
tors. eta vs tors. theta energy: -260.960
Dist. restrs. and SS energy: 4.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -2721.345774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.345774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.643584 (E_RNA)
where:
Base-Base interactions energy: -1906.940
where: short stacking energy: -803.971
Base-Backbone interact. energy: -2.297
local terms energy: -814.406337
where:
bonds (distance) C4'-P energy: -132.985
bonds (distance) P-C4' energy: -134.311
flat angles C4'-P-C4' energy: -175.004
flat angles P-C4'-P energy: -120.395
tors. eta vs tors. theta energy: -251.711
Dist. restrs. and SS energy: 2.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -2644.199110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.199110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.884244 (E_RNA)
where:
Base-Base interactions energy: -1842.488
where: short stacking energy: -809.091
Base-Backbone interact. energy: -1.557
local terms energy: -804.839480
where:
bonds (distance) C4'-P energy: -148.564
bonds (distance) P-C4' energy: -125.275
flat angles C4'-P-C4' energy: -163.508
flat angles P-C4'-P energy: -123.718
tors. eta vs tors. theta energy: -243.775
Dist. restrs. and SS energy: 4.685 (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: 2
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -2543.157160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.157160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.194745 (E_RNA)
where:
Base-Base interactions energy: -1791.954
where: short stacking energy: -759.554
Base-Backbone interact. energy: -4.398
local terms energy: -752.842650
where:
bonds (distance) C4'-P energy: -126.058
bonds (distance) P-C4' energy: -133.952
flat angles C4'-P-C4' energy: -160.994
flat angles P-C4'-P energy: -97.372
tors. eta vs tors. theta energy: -234.467
Dist. restrs. and SS energy: 6.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -2441.477572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.477572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.554291 (E_RNA)
where:
Base-Base interactions energy: -1728.361
where: short stacking energy: -756.466
Base-Backbone interact. energy: -1.336
local terms energy: -715.857366
where:
bonds (distance) C4'-P energy: -128.341
bonds (distance) P-C4' energy: -115.199
flat angles C4'-P-C4' energy: -154.272
flat angles P-C4'-P energy: -106.193
tors. eta vs tors. theta energy: -211.852
Dist. restrs. and SS energy: 4.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -2333.755461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.755461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.913625 (E_RNA)
where:
Base-Base interactions energy: -1651.626
where: short stacking energy: -683.209
Base-Backbone interact. energy: -1.919
local terms energy: -685.367900
where:
bonds (distance) C4'-P energy: -127.244
bonds (distance) P-C4' energy: -116.364
flat angles C4'-P-C4' energy: -139.999
flat angles P-C4'-P energy: -88.351
tors. eta vs tors. theta energy: -213.410
Dist. restrs. and SS energy: 5.158 (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: 4
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -2261.790121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.790121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.646303 (E_RNA)
where:
Base-Base interactions energy: -1601.542
where: short stacking energy: -664.781
Base-Backbone interact. energy: 2.890
local terms energy: -669.994600
where:
bonds (distance) C4'-P energy: -115.158
bonds (distance) P-C4' energy: -128.566
flat angles C4'-P-C4' energy: -140.811
flat angles P-C4'-P energy: -86.247
tors. eta vs tors. theta energy: -199.212
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: 8, replica: 9
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -2140.279545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.279545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.515850 (E_RNA)
where:
Base-Base interactions energy: -1525.957
where: short stacking energy: -630.626
Base-Backbone interact. energy: 1.188
local terms energy: -634.747603
where:
bonds (distance) C4'-P energy: -98.375
bonds (distance) P-C4' energy: -127.503
flat angles C4'-P-C4' energy: -143.324
flat angles P-C4'-P energy: -91.284
tors. eta vs tors. theta energy: -174.261
Dist. restrs. and SS energy: 19.236 (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: 7
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -2032.514739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.514739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.877337 (E_RNA)
where:
Base-Base interactions energy: -1444.314
where: short stacking energy: -581.866
Base-Backbone interact. energy: -1.183
local terms energy: -605.379898
where:
bonds (distance) C4'-P energy: -115.011
bonds (distance) P-C4' energy: -121.795
flat angles C4'-P-C4' energy: -138.722
flat angles P-C4'-P energy: -69.044
tors. eta vs tors. theta energy: -160.807
Dist. restrs. and SS energy: 18.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -1935.152820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.152820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.501753 (E_RNA)
where:
Base-Base interactions energy: -1385.855
where: short stacking energy: -552.755
Base-Backbone interact. energy: 1.593
local terms energy: -578.239783
where:
bonds (distance) C4'-P energy: -107.834
bonds (distance) P-C4' energy: -115.389
flat angles C4'-P-C4' energy: -113.617
flat angles P-C4'-P energy: -84.564
tors. eta vs tors. theta energy: -156.835
Dist. restrs. and SS energy: 27.349 (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: 3
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -2789.205639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2789.205639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.536044 (E_RNA)
where:
Base-Base interactions energy: -1945.426
where: short stacking energy: -815.726
Base-Backbone interact. energy: -0.152
local terms energy: -845.958100
where:
bonds (distance) C4'-P energy: -153.388
bonds (distance) P-C4' energy: -150.879
flat angles C4'-P-C4' energy: -181.739
flat angles P-C4'-P energy: -117.895
tors. eta vs tors. theta energy: -242.057
Dist. restrs. and SS energy: 2.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -2710.955124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.955124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.356831 (E_RNA)
where:
Base-Base interactions energy: -1873.586
where: short stacking energy: -821.891
Base-Backbone interact. energy: -1.711
local terms energy: -840.059931
where:
bonds (distance) C4'-P energy: -155.026
bonds (distance) P-C4' energy: -144.766
flat angles C4'-P-C4' energy: -181.023
flat angles P-C4'-P energy: -104.371
tors. eta vs tors. theta energy: -254.874
Dist. restrs. and SS energy: 4.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -2665.968250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.968250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.251174 (E_RNA)
where:
Base-Base interactions energy: -1861.215
where: short stacking energy: -769.285
Base-Backbone interact. energy: -0.364
local terms energy: -806.672703
where:
bonds (distance) C4'-P energy: -144.133
bonds (distance) P-C4' energy: -138.013
flat angles C4'-P-C4' energy: -164.897
flat angles P-C4'-P energy: -116.730
tors. eta vs tors. theta energy: -242.900
Dist. restrs. and SS energy: 2.283 (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: 2
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -2633.155354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.155354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.076727 (E_RNA)
where:
Base-Base interactions energy: -1836.658
where: short stacking energy: -780.566
Base-Backbone interact. energy: -2.442
local terms energy: -796.976389
where:
bonds (distance) C4'-P energy: -126.541
bonds (distance) P-C4' energy: -144.050
flat angles C4'-P-C4' energy: -170.194
flat angles P-C4'-P energy: -117.336
tors. eta vs tors. theta energy: -238.856
Dist. restrs. and SS energy: 2.921 (S_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: 414
Temperature: 1.100000
Total energy: -2404.417923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.417923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.360897 (E_RNA)
where:
Base-Base interactions energy: -1678.603
where: short stacking energy: -731.499
Base-Backbone interact. energy: -2.970
local terms energy: -725.787335
where:
bonds (distance) C4'-P energy: -121.922
bonds (distance) P-C4' energy: -130.486
flat angles C4'-P-C4' energy: -147.454
flat angles P-C4'-P energy: -100.323
tors. eta vs tors. theta energy: -225.602
Dist. restrs. and SS energy: 2.943 (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: 6
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -2355.211270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.211270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.290909 (E_RNA)
where:
Base-Base interactions energy: -1672.241
where: short stacking energy: -687.534
Base-Backbone interact. energy: -2.358
local terms energy: -687.691619
where:
bonds (distance) C4'-P energy: -122.456
bonds (distance) P-C4' energy: -108.272
flat angles C4'-P-C4' energy: -158.666
flat angles P-C4'-P energy: -94.258
tors. eta vs tors. theta energy: -204.038
Dist. restrs. and SS energy: 7.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -2266.409786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.409786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.092667 (E_RNA)
where:
Base-Base interactions energy: -1596.150
where: short stacking energy: -663.550
Base-Backbone interact. energy: -4.902
local terms energy: -674.040845
where:
bonds (distance) C4'-P energy: -123.055
bonds (distance) P-C4' energy: -115.670
flat angles C4'-P-C4' energy: -140.769
flat angles P-C4'-P energy: -101.641
tors. eta vs tors. theta energy: -192.906
Dist. restrs. and SS energy: 8.683 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -2190.110665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.110665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.572555 (E_RNA)
where:
Base-Base interactions energy: -1540.830
where: short stacking energy: -642.473
Base-Backbone interact. energy: 0.641
local terms energy: -664.383516
where:
bonds (distance) C4'-P energy: -133.288
bonds (distance) P-C4' energy: -103.222
flat angles C4'-P-C4' energy: -140.646
flat angles P-C4'-P energy: -95.551
tors. eta vs tors. theta energy: -191.677
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: 9, replica: 7
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -1996.780710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.780710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.502866 (E_RNA)
where:
Base-Base interactions energy: -1391.489
where: short stacking energy: -568.776
Base-Backbone interact. energy: -0.286
local terms energy: -628.728361
where:
bonds (distance) C4'-P energy: -125.693
bonds (distance) P-C4' energy: -124.338
flat angles C4'-P-C4' energy: -139.248
flat angles P-C4'-P energy: -81.323
tors. eta vs tors. theta energy: -158.127
Dist. restrs. and SS energy: 23.722 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -1944.384815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.384815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.319279 (E_RNA)
where:
Base-Base interactions energy: -1383.728
where: short stacking energy: -566.700
Base-Backbone interact. energy: -2.130
local terms energy: -580.461147
where:
bonds (distance) C4'-P energy: -114.617
bonds (distance) P-C4' energy: -118.380
flat angles C4'-P-C4' energy: -131.825
flat angles P-C4'-P energy: -64.790
tors. eta vs tors. theta energy: -150.849
Dist. restrs. and SS energy: 21.934 (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: 3
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -2809.043233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.043233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.784414 (E_RNA)
where:
Base-Base interactions energy: -1985.510
where: short stacking energy: -826.700
Base-Backbone interact. energy: -3.704
local terms energy: -823.569596
where:
bonds (distance) C4'-P energy: -148.377
bonds (distance) P-C4' energy: -147.989
flat angles C4'-P-C4' energy: -169.833
flat angles P-C4'-P energy: -111.133
tors. eta vs tors. theta energy: -246.238
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: 2, replica: 8
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -2701.447537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.447537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.035583 (E_RNA)
where:
Base-Base interactions energy: -1879.545
where: short stacking energy: -817.244
Base-Backbone interact. energy: -3.581
local terms energy: -820.910426
where:
bonds (distance) C4'-P energy: -143.229
bonds (distance) P-C4' energy: -150.039
flat angles C4'-P-C4' energy: -165.449
flat angles P-C4'-P energy: -113.322
tors. eta vs tors. theta energy: -248.871
Dist. restrs. and SS energy: 2.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -2670.341101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.341101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.998183 (E_RNA)
where:
Base-Base interactions energy: -1882.897
where: short stacking energy: -824.205
Base-Backbone interact. energy: -2.132
local terms energy: -787.968823
where:
bonds (distance) C4'-P energy: -126.277
bonds (distance) P-C4' energy: -139.465
flat angles C4'-P-C4' energy: -158.952
flat angles P-C4'-P energy: -112.864
tors. eta vs tors. theta energy: -250.410
Dist. restrs. and SS energy: 2.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -2567.454378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.454378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.508294 (E_RNA)
where:
Base-Base interactions energy: -1834.970
where: short stacking energy: -773.259
Base-Backbone interact. energy: 0.634
local terms energy: -738.172272
where:
bonds (distance) C4'-P energy: -138.203
bonds (distance) P-C4' energy: -118.823
flat angles C4'-P-C4' energy: -139.762
flat angles P-C4'-P energy: -108.621
tors. eta vs tors. theta energy: -232.763
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: 5, replica: 5
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -2440.381175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.381175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.420531 (E_RNA)
where:
Base-Base interactions energy: -1687.162
where: short stacking energy: -686.115
Base-Backbone interact. energy: -0.117
local terms energy: -759.141551
where:
bonds (distance) C4'-P energy: -127.964
bonds (distance) P-C4' energy: -149.999
flat angles C4'-P-C4' energy: -155.331
flat angles P-C4'-P energy: -105.100
tors. eta vs tors. theta energy: -220.748
Dist. restrs. and SS energy: 6.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -2348.836456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.836456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.469268 (E_RNA)
where:
Base-Base interactions energy: -1632.951
where: short stacking energy: -688.193
Base-Backbone interact. energy: -1.959
local terms energy: -719.559547
where:
bonds (distance) C4'-P energy: -137.248
bonds (distance) P-C4' energy: -120.671
flat angles C4'-P-C4' energy: -148.700
flat angles P-C4'-P energy: -107.571
tors. eta vs tors. theta energy: -205.369
Dist. restrs. and SS energy: 5.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -2270.890460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.890460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.421449 (E_RNA)
where:
Base-Base interactions energy: -1613.547
where: short stacking energy: -677.501
Base-Backbone interact. energy: -3.049
local terms energy: -663.824824
where:
bonds (distance) C4'-P energy: -113.080
bonds (distance) P-C4' energy: -118.142
flat angles C4'-P-C4' energy: -128.614
flat angles P-C4'-P energy: -100.468
tors. eta vs tors. theta energy: -203.521
Dist. restrs. and SS energy: 9.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -2214.816774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.816774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.802450 (E_RNA)
where:
Base-Base interactions energy: -1556.828
where: short stacking energy: -616.802
Base-Backbone interact. energy: -2.895
local terms energy: -663.079060
where:
bonds (distance) C4'-P energy: -133.663
bonds (distance) P-C4' energy: -118.511
flat angles C4'-P-C4' energy: -148.957
flat angles P-C4'-P energy: -76.087
tors. eta vs tors. theta energy: -185.862
Dist. restrs. and SS energy: 7.986 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -2035.214089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.214089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.375953 (E_RNA)
where:
Base-Base interactions energy: -1443.587
where: short stacking energy: -586.035
Base-Backbone interact. energy: -1.326
local terms energy: -607.463554
where:
bonds (distance) C4'-P energy: -110.443
bonds (distance) P-C4' energy: -119.483
flat angles C4'-P-C4' energy: -124.393
flat angles P-C4'-P energy: -81.057
tors. eta vs tors. theta energy: -172.088
Dist. restrs. and SS energy: 17.162 (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: 1
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -1972.874034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.874034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.675544 (E_RNA)
where:
Base-Base interactions energy: -1434.019
where: short stacking energy: -577.488
Base-Backbone interact. energy: 1.969
local terms energy: -563.625506
where:
bonds (distance) C4'-P energy: -96.955
bonds (distance) P-C4' energy: -97.251
flat angles C4'-P-C4' energy: -133.022
flat angles P-C4'-P energy: -78.135
tors. eta vs tors. theta energy: -158.263
Dist. restrs. and SS energy: 22.802 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -2821.339843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.339843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.459047 (E_RNA)
where:
Base-Base interactions energy: -1966.935
where: short stacking energy: -832.857
Base-Backbone interact. energy: 0.211
local terms energy: -858.735215
where:
bonds (distance) C4'-P energy: -143.798
bonds (distance) P-C4' energy: -161.424
flat angles C4'-P-C4' energy: -170.216
flat angles P-C4'-P energy: -129.533
tors. eta vs tors. theta energy: -253.765
Dist. restrs. and SS energy: 4.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -2715.789281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.789281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.784221 (E_RNA)
where:
Base-Base interactions energy: -1922.141
where: short stacking energy: -810.659
Base-Backbone interact. energy: -7.180
local terms energy: -790.463358
where:
bonds (distance) C4'-P energy: -124.839
bonds (distance) P-C4' energy: -138.766
flat angles C4'-P-C4' energy: -178.397
flat angles P-C4'-P energy: -107.939
tors. eta vs tors. theta energy: -240.522
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: 10
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -2643.878599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.878599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.199569 (E_RNA)
where:
Base-Base interactions energy: -1871.239
where: short stacking energy: -791.611
Base-Backbone interact. energy: -2.921
local terms energy: -777.039767
where:
bonds (distance) C4'-P energy: -111.966
bonds (distance) P-C4' energy: -138.825
flat angles C4'-P-C4' energy: -166.490
flat angles P-C4'-P energy: -111.969
tors. eta vs tors. theta energy: -247.790
Dist. restrs. and SS energy: 7.321 (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: 2
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -2570.212341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.212341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.728489 (E_RNA)
where:
Base-Base interactions energy: -1812.904
where: short stacking energy: -758.851
Base-Backbone interact. energy: -3.255
local terms energy: -757.569996
where:
bonds (distance) C4'-P energy: -122.949
bonds (distance) P-C4' energy: -134.257
flat angles C4'-P-C4' energy: -155.472
flat angles P-C4'-P energy: -112.551
tors. eta vs tors. theta energy: -232.341
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: 5, replica: 5
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -2419.945799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.945799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.044661 (E_RNA)
where:
Base-Base interactions energy: -1691.819
where: short stacking energy: -708.587
Base-Backbone interact. energy: 1.353
local terms energy: -741.579034
where:
bonds (distance) C4'-P energy: -130.564
bonds (distance) P-C4' energy: -133.291
flat angles C4'-P-C4' energy: -148.266
flat angles P-C4'-P energy: -105.586
tors. eta vs tors. theta energy: -223.873
Dist. restrs. and SS energy: 12.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -2326.317716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.317716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.047318 (E_RNA)
where:
Base-Base interactions energy: -1652.624
where: short stacking energy: -690.768
Base-Backbone interact. energy: 5.594
local terms energy: -687.016746
where:
bonds (distance) C4'-P energy: -123.040
bonds (distance) P-C4' energy: -118.279
flat angles C4'-P-C4' energy: -135.674
flat angles P-C4'-P energy: -94.843
tors. eta vs tors. theta energy: -215.181
Dist. restrs. and SS energy: 7.730 (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: 4
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -2297.068741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.068741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.062380 (E_RNA)
where:
Base-Base interactions energy: -1612.064
where: short stacking energy: -691.590
Base-Backbone interact. energy: 3.925
local terms energy: -696.923380
where:
bonds (distance) C4'-P energy: -142.504
bonds (distance) P-C4' energy: -123.383
flat angles C4'-P-C4' energy: -135.574
flat angles P-C4'-P energy: -96.828
tors. eta vs tors. theta energy: -198.634
Dist. restrs. and SS energy: 7.994 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -2210.630506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.630506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.482341 (E_RNA)
where:
Base-Base interactions energy: -1573.895
where: short stacking energy: -647.693
Base-Backbone interact. energy: 1.652
local terms energy: -650.239383
where:
bonds (distance) C4'-P energy: -122.951
bonds (distance) P-C4' energy: -108.535
flat angles C4'-P-C4' energy: -146.499
flat angles P-C4'-P energy: -92.112
tors. eta vs tors. theta energy: -180.142
Dist. restrs. and SS energy: 11.852 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -2036.546761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.546761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.729411 (E_RNA)
where:
Base-Base interactions energy: -1429.049
where: short stacking energy: -621.795
Base-Backbone interact. energy: 10.141
local terms energy: -636.821921
where:
bonds (distance) C4'-P energy: -117.476
bonds (distance) P-C4' energy: -117.187
flat angles C4'-P-C4' energy: -142.301
flat angles P-C4'-P energy: -86.355
tors. eta vs tors. theta energy: -173.503
Dist. restrs. and SS energy: 19.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -1970.371318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.371318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.370118 (E_RNA)
where:
Base-Base interactions energy: -1430.243
where: short stacking energy: -581.542
Base-Backbone interact. energy: -3.466
local terms energy: -554.661940
where:
bonds (distance) C4'-P energy: -81.237
bonds (distance) P-C4' energy: -117.053
flat angles C4'-P-C4' energy: -112.480
flat angles P-C4'-P energy: -82.206
tors. eta vs tors. theta energy: -161.686
Dist. restrs. and SS energy: 17.999 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -2809.973912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.973912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.416095 (E_RNA)
where:
Base-Base interactions energy: -1968.744
where: short stacking energy: -839.362
Base-Backbone interact. energy: -2.625
local terms energy: -842.046837
where:
bonds (distance) C4'-P energy: -146.507
bonds (distance) P-C4' energy: -150.832
flat angles C4'-P-C4' energy: -176.633
flat angles P-C4'-P energy: -116.663
tors. eta vs tors. theta energy: -251.412
Dist. restrs. and SS energy: 3.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -2744.023652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2744.023652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.117960 (E_RNA)
where:
Base-Base interactions energy: -1902.560
where: short stacking energy: -826.583
Base-Backbone interact. energy: -2.490
local terms energy: -842.067875
where:
bonds (distance) C4'-P energy: -140.726
bonds (distance) P-C4' energy: -152.380
flat angles C4'-P-C4' energy: -173.222
flat angles P-C4'-P energy: -122.249
tors. eta vs tors. theta energy: -253.490
Dist. restrs. and SS energy: 3.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -2662.702704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.702704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.244587 (E_RNA)
where:
Base-Base interactions energy: -1883.155
where: short stacking energy: -811.396
Base-Backbone interact. energy: -1.731
local terms energy: -783.358008
where:
bonds (distance) C4'-P energy: -146.724
bonds (distance) P-C4' energy: -119.740
flat angles C4'-P-C4' energy: -155.609
flat angles P-C4'-P energy: -114.376
tors. eta vs tors. theta energy: -246.909
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: 2
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -2602.083058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.083058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.584598 (E_RNA)
where:
Base-Base interactions energy: -1827.572
where: short stacking energy: -777.396
Base-Backbone interact. energy: -2.735
local terms energy: -778.276788
where:
bonds (distance) C4'-P energy: -129.913
bonds (distance) P-C4' energy: -133.576
flat angles C4'-P-C4' energy: -166.067
flat angles P-C4'-P energy: -111.162
tors. eta vs tors. theta energy: -237.560
Dist. restrs. and SS energy: 6.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -2426.634273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.634273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.503215 (E_RNA)
where:
Base-Base interactions energy: -1703.146
where: short stacking energy: -714.165
Base-Backbone interact. energy: -2.013
local terms energy: -728.344012
where:
bonds (distance) C4'-P energy: -124.066
bonds (distance) P-C4' energy: -132.592
flat angles C4'-P-C4' energy: -154.334
flat angles P-C4'-P energy: -98.171
tors. eta vs tors. theta energy: -219.181
Dist. restrs. and SS energy: 6.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -2350.200546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.200546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.432191 (E_RNA)
where:
Base-Base interactions energy: -1650.821
where: short stacking energy: -705.587
Base-Backbone interact. energy: -1.942
local terms energy: -707.668710
where:
bonds (distance) C4'-P energy: -125.663
bonds (distance) P-C4' energy: -135.586
flat angles C4'-P-C4' energy: -142.752
flat angles P-C4'-P energy: -101.861
tors. eta vs tors. theta energy: -201.807
Dist. restrs. and SS energy: 10.232 (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: 4
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -2263.463730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.463730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.912135 (E_RNA)
where:
Base-Base interactions energy: -1579.881
where: short stacking energy: -652.802
Base-Backbone interact. energy: -0.787
local terms energy: -689.244351
where:
bonds (distance) C4'-P energy: -130.122
bonds (distance) P-C4' energy: -121.334
flat angles C4'-P-C4' energy: -143.838
flat angles P-C4'-P energy: -102.650
tors. eta vs tors. theta energy: -191.301
Dist. restrs. and SS energy: 6.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -2213.541591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.541591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.391507 (E_RNA)
where:
Base-Base interactions energy: -1567.534
where: short stacking energy: -645.676
Base-Backbone interact. energy: 6.273
local terms energy: -660.129956
where:
bonds (distance) C4'-P energy: -95.410
bonds (distance) P-C4' energy: -122.037
flat angles C4'-P-C4' energy: -138.979
flat angles P-C4'-P energy: -104.335
tors. eta vs tors. theta energy: -199.368
Dist. restrs. and SS energy: 7.850 (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: 7
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -2076.367898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.367898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.586097 (E_RNA)
where:
Base-Base interactions energy: -1449.643
where: short stacking energy: -606.077
Base-Backbone interact. energy: -1.510
local terms energy: -641.432201
where:
bonds (distance) C4'-P energy: -121.873
bonds (distance) P-C4' energy: -114.353
flat angles C4'-P-C4' energy: -142.518
flat angles P-C4'-P energy: -81.076
tors. eta vs tors. theta energy: -181.612
Dist. restrs. and SS energy: 16.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -1973.093542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.093542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.057248 (E_RNA)
where:
Base-Base interactions energy: -1410.695
where: short stacking energy: -574.030
Base-Backbone interact. energy: -0.974
local terms energy: -581.388278
where:
bonds (distance) C4'-P energy: -107.015
bonds (distance) P-C4' energy: -111.435
flat angles C4'-P-C4' energy: -136.349
flat angles P-C4'-P energy: -62.151
tors. eta vs tors. theta energy: -164.437
Dist. restrs. and SS energy: 19.964 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -2812.433755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.433755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2815.772745 (E_RNA)
where:
Base-Base interactions energy: -1992.103
where: short stacking energy: -843.236
Base-Backbone interact. energy: -5.724
local terms energy: -817.945118
where:
bonds (distance) C4'-P energy: -145.401
bonds (distance) P-C4' energy: -129.194
flat angles C4'-P-C4' energy: -165.132
flat angles P-C4'-P energy: -124.784
tors. eta vs tors. theta energy: -253.435
Dist. restrs. and SS energy: 3.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -2724.546199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.546199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.342539 (E_RNA)
where:
Base-Base interactions energy: -1907.864
where: short stacking energy: -814.958
Base-Backbone interact. energy: -1.315
local terms energy: -818.164094
where:
bonds (distance) C4'-P energy: -136.647
bonds (distance) P-C4' energy: -138.350
flat angles C4'-P-C4' energy: -174.746
flat angles P-C4'-P energy: -121.125
tors. eta vs tors. theta energy: -247.296
Dist. restrs. and SS energy: 2.796 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -2694.610906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.610906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.724195 (E_RNA)
where:
Base-Base interactions energy: -1905.062
where: short stacking energy: -805.710
Base-Backbone interact. energy: -0.049
local terms energy: -792.613432
where:
bonds (distance) C4'-P energy: -138.068
bonds (distance) P-C4' energy: -137.109
flat angles C4'-P-C4' energy: -165.959
flat angles P-C4'-P energy: -102.334
tors. eta vs tors. theta energy: -249.143
Dist. restrs. and SS energy: 3.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -2566.216386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.216386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.740461 (E_RNA)
where:
Base-Base interactions energy: -1789.738
where: short stacking energy: -777.005
Base-Backbone interact. energy: -0.191
local terms energy: -781.811165
where:
bonds (distance) C4'-P energy: -155.589
bonds (distance) P-C4' energy: -138.680
flat angles C4'-P-C4' energy: -149.221
flat angles P-C4'-P energy: -100.286
tors. eta vs tors. theta energy: -238.036
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: 5, replica: 5
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -2412.183023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.183023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.424016 (E_RNA)
where:
Base-Base interactions energy: -1696.043
where: short stacking energy: -702.604
Base-Backbone interact. energy: 0.595
local terms energy: -723.976075
where:
bonds (distance) C4'-P energy: -120.055
bonds (distance) P-C4' energy: -133.577
flat angles C4'-P-C4' energy: -154.556
flat angles P-C4'-P energy: -111.302
tors. eta vs tors. theta energy: -204.486
Dist. restrs. and SS energy: 7.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -2355.925915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.925915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.931713 (E_RNA)
where:
Base-Base interactions energy: -1656.618
where: short stacking energy: -682.646
Base-Backbone interact. energy: -3.284
local terms energy: -706.029934
where:
bonds (distance) C4'-P energy: -107.381
bonds (distance) P-C4' energy: -139.355
flat angles C4'-P-C4' energy: -148.043
flat angles P-C4'-P energy: -103.356
tors. eta vs tors. theta energy: -207.895
Dist. restrs. and SS energy: 10.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -2246.246359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.246359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.057936 (E_RNA)
where:
Base-Base interactions energy: -1597.206
where: short stacking energy: -676.709
Base-Backbone interact. energy: -0.953
local terms energy: -655.898994
where:
bonds (distance) C4'-P energy: -111.967
bonds (distance) P-C4' energy: -124.849
flat angles C4'-P-C4' energy: -137.882
flat angles P-C4'-P energy: -94.177
tors. eta vs tors. theta energy: -187.024
Dist. restrs. and SS energy: 7.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -2202.808383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.808383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.852750 (E_RNA)
where:
Base-Base interactions energy: -1595.432
where: short stacking energy: -644.960
Base-Backbone interact. energy: 3.332
local terms energy: -618.753397
where:
bonds (distance) C4'-P energy: -94.037
bonds (distance) P-C4' energy: -113.085
flat angles C4'-P-C4' energy: -151.146
flat angles P-C4'-P energy: -78.406
tors. eta vs tors. theta energy: -182.079
Dist. restrs. and SS energy: 8.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -2050.321263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.321263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.217164 (E_RNA)
where:
Base-Base interactions energy: -1441.141
where: short stacking energy: -631.685
Base-Backbone interact. energy: 5.939
local terms energy: -628.015567
where:
bonds (distance) C4'-P energy: -123.263
bonds (distance) P-C4' energy: -113.612
flat angles C4'-P-C4' energy: -129.086
flat angles P-C4'-P energy: -93.644
tors. eta vs tors. theta energy: -168.411
Dist. restrs. and SS energy: 12.896 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -1961.342160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.342160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.355799 (E_RNA)
where:
Base-Base interactions energy: -1391.619
where: short stacking energy: -576.786
Base-Backbone interact. energy: 2.987
local terms energy: -599.723210
where:
bonds (distance) C4'-P energy: -103.294
bonds (distance) P-C4' energy: -112.043
flat angles C4'-P-C4' energy: -141.026
flat angles P-C4'-P energy: -76.564
tors. eta vs tors. theta energy: -166.797
Dist. restrs. and SS energy: 27.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -2816.555461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.555461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2819.686650 (E_RNA)
where:
Base-Base interactions energy: -1994.143
where: short stacking energy: -826.339
Base-Backbone interact. energy: -3.743
local terms energy: -821.800925
where:
bonds (distance) C4'-P energy: -134.102
bonds (distance) P-C4' energy: -162.505
flat angles C4'-P-C4' energy: -166.162
flat angles P-C4'-P energy: -106.140
tors. eta vs tors. theta energy: -252.892
Dist. restrs. and SS energy: 3.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -2718.748624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.748624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.810083 (E_RNA)
where:
Base-Base interactions energy: -1895.259
where: short stacking energy: -816.263
Base-Backbone interact. energy: -4.787
local terms energy: -822.763559
where:
bonds (distance) C4'-P energy: -131.310
bonds (distance) P-C4' energy: -156.132
flat angles C4'-P-C4' energy: -168.509
flat angles P-C4'-P energy: -117.720
tors. eta vs tors. theta energy: -249.092
Dist. restrs. and SS energy: 4.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -2647.958848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.958848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.079913 (E_RNA)
where:
Base-Base interactions energy: -1847.347
where: short stacking energy: -777.773
Base-Backbone interact. energy: -6.019
local terms energy: -796.713331
where:
bonds (distance) C4'-P energy: -145.579
bonds (distance) P-C4' energy: -139.887
flat angles C4'-P-C4' energy: -164.371
flat angles P-C4'-P energy: -109.345
tors. eta vs tors. theta energy: -237.531
Dist. restrs. and SS energy: 2.121 (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: 2
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -2584.567930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.567930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.753114 (E_RNA)
where:
Base-Base interactions energy: -1820.220
where: short stacking energy: -795.800
Base-Backbone interact. energy: 0.517
local terms energy: -770.049512
where:
bonds (distance) C4'-P energy: -119.630
bonds (distance) P-C4' energy: -144.027
flat angles C4'-P-C4' energy: -152.242
flat angles P-C4'-P energy: -112.352
tors. eta vs tors. theta energy: -241.799
Dist. restrs. and SS energy: 5.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -2420.457889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.457889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.992145 (E_RNA)
where:
Base-Base interactions energy: -1686.283
where: short stacking energy: -680.092
Base-Backbone interact. energy: 0.859
local terms energy: -739.568460
where:
bonds (distance) C4'-P energy: -145.116
bonds (distance) P-C4' energy: -151.677
flat angles C4'-P-C4' energy: -151.493
flat angles P-C4'-P energy: -92.227
tors. eta vs tors. theta energy: -199.056
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: 6, replica: 6
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -2331.414470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.414470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.928060 (E_RNA)
where:
Base-Base interactions energy: -1645.909
where: short stacking energy: -687.226
Base-Backbone interact. energy: 3.211
local terms energy: -697.230203
where:
bonds (distance) C4'-P energy: -136.373
bonds (distance) P-C4' energy: -132.103
flat angles C4'-P-C4' energy: -139.419
flat angles P-C4'-P energy: -89.917
tors. eta vs tors. theta energy: -199.418
Dist. restrs. and SS energy: 8.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -2194.091253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.091253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.684564 (E_RNA)
where:
Base-Base interactions energy: -1519.972
where: short stacking energy: -648.043
Base-Backbone interact. energy: 0.102
local terms energy: -685.814003
where:
bonds (distance) C4'-P energy: -116.800
bonds (distance) P-C4' energy: -132.398
flat angles C4'-P-C4' energy: -152.271
flat angles P-C4'-P energy: -94.084
tors. eta vs tors. theta energy: -190.262
Dist. restrs. and SS energy: 11.593 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -2170.226219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.226219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.062263 (E_RNA)
where:
Base-Base interactions energy: -1524.274
where: short stacking energy: -624.901
Base-Backbone interact. energy: 1.967
local terms energy: -655.755396
where:
bonds (distance) C4'-P energy: -129.558
bonds (distance) P-C4' energy: -109.192
flat angles C4'-P-C4' energy: -145.379
flat angles P-C4'-P energy: -90.441
tors. eta vs tors. theta energy: -181.185
Dist. restrs. and SS energy: 7.836 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -2071.349361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.349361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.552474 (E_RNA)
where:
Base-Base interactions energy: -1470.786
where: short stacking energy: -655.593
Base-Backbone interact. energy: 2.819
local terms energy: -623.586112
where:
bonds (distance) C4'-P energy: -106.572
bonds (distance) P-C4' energy: -101.934
flat angles C4'-P-C4' energy: -140.077
flat angles P-C4'-P energy: -82.192
tors. eta vs tors. theta energy: -192.811
Dist. restrs. and SS energy: 20.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -1994.761741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.761741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.384902 (E_RNA)
where:
Base-Base interactions energy: -1402.298
where: short stacking energy: -589.383
Base-Backbone interact. energy: -1.995
local terms energy: -617.091617
where:
bonds (distance) C4'-P energy: -107.405
bonds (distance) P-C4' energy: -120.231
flat angles C4'-P-C4' energy: -144.384
flat angles P-C4'-P energy: -76.190
tors. eta vs tors. theta energy: -168.881
Dist. restrs. and SS energy: 26.623 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -2796.696341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.696341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.574071 (E_RNA)
where:
Base-Base interactions energy: -1972.877
where: short stacking energy: -840.941
Base-Backbone interact. energy: -1.681
local terms energy: -826.015763
where:
bonds (distance) C4'-P energy: -150.373
bonds (distance) P-C4' energy: -131.270
flat angles C4'-P-C4' energy: -165.309
flat angles P-C4'-P energy: -122.291
tors. eta vs tors. theta energy: -256.774
Dist. restrs. and SS energy: 3.878 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -2688.239997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.239997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.124167 (E_RNA)
where:
Base-Base interactions energy: -1878.860
where: short stacking energy: -813.367
Base-Backbone interact. energy: -5.949
local terms energy: -807.314594
where:
bonds (distance) C4'-P energy: -142.637
bonds (distance) P-C4' energy: -130.484
flat angles C4'-P-C4' energy: -160.297
flat angles P-C4'-P energy: -122.716
tors. eta vs tors. theta energy: -251.181
Dist. restrs. and SS energy: 3.884 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -2621.343045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.343045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.410849 (E_RNA)
where:
Base-Base interactions energy: -1841.662
where: short stacking energy: -772.973
Base-Backbone interact. energy: 0.690
local terms energy: -784.438973
where:
bonds (distance) C4'-P energy: -133.501
bonds (distance) P-C4' energy: -148.229
flat angles C4'-P-C4' energy: -161.954
flat angles P-C4'-P energy: -106.210
tors. eta vs tors. theta energy: -234.545
Dist. restrs. and SS energy: 4.068 (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: 10
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -2591.205002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.205002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.908119 (E_RNA)
where:
Base-Base interactions energy: -1813.093
where: short stacking energy: -768.239
Base-Backbone interact. energy: -2.788
local terms energy: -781.027146
where:
bonds (distance) C4'-P energy: -132.375
bonds (distance) P-C4' energy: -137.607
flat angles C4'-P-C4' energy: -162.424
flat angles P-C4'-P energy: -108.410
tors. eta vs tors. theta energy: -240.212
Dist. restrs. and SS energy: 5.703 (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: 6
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -2383.939093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.939093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.010364 (E_RNA)
where:
Base-Base interactions energy: -1654.570
where: short stacking energy: -679.725
Base-Backbone interact. energy: -0.927
local terms energy: -734.513480
where:
bonds (distance) C4'-P energy: -131.128
bonds (distance) P-C4' energy: -132.331
flat angles C4'-P-C4' energy: -156.259
flat angles P-C4'-P energy: -108.840
tors. eta vs tors. theta energy: -205.955
Dist. restrs. and SS energy: 6.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -2333.665749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.665749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.442833 (E_RNA)
where:
Base-Base interactions energy: -1647.907
where: short stacking energy: -693.983
Base-Backbone interact. energy: -3.839
local terms energy: -689.697090
where:
bonds (distance) C4'-P energy: -128.395
bonds (distance) P-C4' energy: -114.107
flat angles C4'-P-C4' energy: -149.483
flat angles P-C4'-P energy: -88.471
tors. eta vs tors. theta energy: -209.240
Dist. restrs. and SS energy: 7.777 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -2193.272279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.272279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.828370 (E_RNA)
where:
Base-Base interactions energy: -1527.900
where: short stacking energy: -647.597
Base-Backbone interact. energy: -0.640
local terms energy: -676.287683
where:
bonds (distance) C4'-P energy: -129.898
bonds (distance) P-C4' energy: -127.375
flat angles C4'-P-C4' energy: -152.733
flat angles P-C4'-P energy: -84.124
tors. eta vs tors. theta energy: -182.157
Dist. restrs. and SS energy: 11.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -2185.685689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.685689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.339378 (E_RNA)
where:
Base-Base interactions energy: -1551.645
where: short stacking energy: -628.419
Base-Backbone interact. energy: 0.857
local terms energy: -648.550889
where:
bonds (distance) C4'-P energy: -102.693
bonds (distance) P-C4' energy: -111.073
flat angles C4'-P-C4' energy: -142.267
flat angles P-C4'-P energy: -107.273
tors. eta vs tors. theta energy: -185.244
Dist. restrs. and SS energy: 13.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -2068.580126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.580126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.762434 (E_RNA)
where:
Base-Base interactions energy: -1453.325
where: short stacking energy: -597.558
Base-Backbone interact. energy: 0.886
local terms energy: -628.323598
where:
bonds (distance) C4'-P energy: -105.396
bonds (distance) P-C4' energy: -108.439
flat angles C4'-P-C4' energy: -148.741
flat angles P-C4'-P energy: -90.931
tors. eta vs tors. theta energy: -174.816
Dist. restrs. and SS energy: 12.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -2030.729822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.729822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.805804 (E_RNA)
where:
Base-Base interactions energy: -1446.691
where: short stacking energy: -583.322
Base-Backbone interact. energy: 0.429
local terms energy: -603.543621
where:
bonds (distance) C4'-P energy: -112.503
bonds (distance) P-C4' energy: -110.926
flat angles C4'-P-C4' energy: -133.730
flat angles P-C4'-P energy: -69.203
tors. eta vs tors. theta energy: -177.181
Dist. restrs. and SS energy: 19.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -2817.190144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.190144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2820.087423 (E_RNA)
where:
Base-Base interactions energy: -2004.071
where: short stacking energy: -829.563
Base-Backbone interact. energy: -0.024
local terms energy: -815.992099
where:
bonds (distance) C4'-P energy: -132.873
bonds (distance) P-C4' energy: -148.599
flat angles C4'-P-C4' energy: -171.389
flat angles P-C4'-P energy: -117.165
tors. eta vs tors. theta energy: -245.967
Dist. restrs. and SS energy: 2.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -2687.375110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.375110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.401169 (E_RNA)
where:
Base-Base interactions energy: -1870.339
where: short stacking energy: -798.321
Base-Backbone interact. energy: 3.230
local terms energy: -823.292625
where:
bonds (distance) C4'-P energy: -143.873
bonds (distance) P-C4' energy: -146.146
flat angles C4'-P-C4' energy: -173.511
flat angles P-C4'-P energy: -111.432
tors. eta vs tors. theta energy: -248.330
Dist. restrs. and SS energy: 3.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -2598.151286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.151286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.927131 (E_RNA)
where:
Base-Base interactions energy: -1844.200
where: short stacking energy: -796.588
Base-Backbone interact. energy: -0.846
local terms energy: -756.881025
where:
bonds (distance) C4'-P energy: -138.929
bonds (distance) P-C4' energy: -130.237
flat angles C4'-P-C4' energy: -155.670
flat angles P-C4'-P energy: -100.563
tors. eta vs tors. theta energy: -231.482
Dist. restrs. and SS energy: 3.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -2599.254773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.254773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.652530 (E_RNA)
where:
Base-Base interactions energy: -1829.282
where: short stacking energy: -782.626
Base-Backbone interact. energy: -3.113
local terms energy: -771.257675
where:
bonds (distance) C4'-P energy: -132.149
bonds (distance) P-C4' energy: -140.330
flat angles C4'-P-C4' energy: -160.956
flat angles P-C4'-P energy: -104.706
tors. eta vs tors. theta energy: -233.116
Dist. restrs. and SS energy: 4.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -2339.357795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.357795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.315205 (E_RNA)
where:
Base-Base interactions energy: -1663.095
where: short stacking energy: -710.653
Base-Backbone interact. energy: 2.194
local terms energy: -688.414218
where:
bonds (distance) C4'-P energy: -99.115
bonds (distance) P-C4' energy: -130.521
flat angles C4'-P-C4' energy: -151.119
flat angles P-C4'-P energy: -93.676
tors. eta vs tors. theta energy: -213.985
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: 6, replica: 5
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -2308.969213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.969213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.238839 (E_RNA)
where:
Base-Base interactions energy: -1622.685
where: short stacking energy: -681.584
Base-Backbone interact. energy: -3.115
local terms energy: -688.439178
where:
bonds (distance) C4'-P energy: -104.698
bonds (distance) P-C4' energy: -134.203
flat angles C4'-P-C4' energy: -160.289
flat angles P-C4'-P energy: -92.328
tors. eta vs tors. theta energy: -196.921
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: 7, replica: 9
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -2236.128179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.128179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.855762 (E_RNA)
where:
Base-Base interactions energy: -1571.124
where: short stacking energy: -674.427
Base-Backbone interact. energy: -0.240
local terms energy: -675.491575
where:
bonds (distance) C4'-P energy: -120.980
bonds (distance) P-C4' energy: -133.095
flat angles C4'-P-C4' energy: -141.114
flat angles P-C4'-P energy: -92.809
tors. eta vs tors. theta energy: -187.494
Dist. restrs. and SS energy: 10.728 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -2205.819913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.819913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.399850 (E_RNA)
where:
Base-Base interactions energy: -1578.379
where: short stacking energy: -637.175
Base-Backbone interact. energy: -1.385
local terms energy: -635.635895
where:
bonds (distance) C4'-P energy: -115.555
bonds (distance) P-C4' energy: -120.580
flat angles C4'-P-C4' energy: -128.440
flat angles P-C4'-P energy: -88.782
tors. eta vs tors. theta energy: -182.279
Dist. restrs. and SS energy: 9.580 (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: 421
Temperature: 1.300000
Total energy: -2108.858781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.858781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.383521 (E_RNA)
where:
Base-Base interactions energy: -1491.766
where: short stacking energy: -633.977
Base-Backbone interact. energy: 0.452
local terms energy: -631.070061
where:
bonds (distance) C4'-P energy: -103.973
bonds (distance) P-C4' energy: -131.943
flat angles C4'-P-C4' energy: -127.554
flat angles P-C4'-P energy: -78.420
tors. eta vs tors. theta energy: -189.180
Dist. restrs. and SS energy: 13.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -2046.178586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.178586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.572665 (E_RNA)
where:
Base-Base interactions energy: -1433.242
where: short stacking energy: -615.058
Base-Backbone interact. energy: -2.802
local terms energy: -625.528174
where:
bonds (distance) C4'-P energy: -101.154
bonds (distance) P-C4' energy: -130.353
flat angles C4'-P-C4' energy: -145.697
flat angles P-C4'-P energy: -60.160
tors. eta vs tors. theta energy: -188.163
Dist. restrs. and SS energy: 15.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -2794.431566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.431566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.381833 (E_RNA)
where:
Base-Base interactions energy: -1963.626
where: short stacking energy: -827.514
Base-Backbone interact. energy: -2.272
local terms energy: -831.483730
where:
bonds (distance) C4'-P energy: -135.134
bonds (distance) P-C4' energy: -146.370
flat angles C4'-P-C4' energy: -175.803
flat angles P-C4'-P energy: -125.027
tors. eta vs tors. theta energy: -249.150
Dist. restrs. and SS energy: 2.950 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -2687.788712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.788712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.278183 (E_RNA)
where:
Base-Base interactions energy: -1890.802
where: short stacking energy: -803.422
Base-Backbone interact. energy: -3.480
local terms energy: -796.996196
where:
bonds (distance) C4'-P energy: -140.868
bonds (distance) P-C4' energy: -134.735
flat angles C4'-P-C4' energy: -168.219
flat angles P-C4'-P energy: -109.175
tors. eta vs tors. theta energy: -243.999
Dist. restrs. and SS energy: 3.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -2600.945118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.945118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.993083 (E_RNA)
where:
Base-Base interactions energy: -1842.136
where: short stacking energy: -770.606
Base-Backbone interact. energy: 0.681
local terms energy: -761.538013
where:
bonds (distance) C4'-P energy: -131.913
bonds (distance) P-C4' energy: -135.622
flat angles C4'-P-C4' energy: -169.214
flat angles P-C4'-P energy: -100.604
tors. eta vs tors. theta energy: -224.184
Dist. restrs. and SS energy: 2.048 (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: 10
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -2558.466353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.466353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.856699 (E_RNA)
where:
Base-Base interactions energy: -1784.011
where: short stacking energy: -773.579
Base-Backbone interact. energy: -2.637
local terms energy: -774.207911
where:
bonds (distance) C4'-P energy: -139.539
bonds (distance) P-C4' energy: -129.395
flat angles C4'-P-C4' energy: -168.803
flat angles P-C4'-P energy: -105.872
tors. eta vs tors. theta energy: -230.599
Dist. restrs. and SS energy: 2.390 (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: 6
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -2409.222866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.222866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.010898 (E_RNA)
where:
Base-Base interactions energy: -1707.354
where: short stacking energy: -705.680
Base-Backbone interact. energy: 2.768
local terms energy: -711.425257
where:
bonds (distance) C4'-P energy: -131.552
bonds (distance) P-C4' energy: -127.705
flat angles C4'-P-C4' energy: -137.000
flat angles P-C4'-P energy: -103.834
tors. eta vs tors. theta energy: -211.334
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: 6, replica: 5
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -2316.779680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.779680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.643751 (E_RNA)
where:
Base-Base interactions energy: -1650.409
where: short stacking energy: -681.079
Base-Backbone interact. energy: 7.772
local terms energy: -681.007135
where:
bonds (distance) C4'-P energy: -128.285
bonds (distance) P-C4' energy: -118.978
flat angles C4'-P-C4' energy: -142.741
flat angles P-C4'-P energy: -85.938
tors. eta vs tors. theta energy: -205.065
Dist. restrs. and SS energy: 6.864 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -2230.336320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.336320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.977136 (E_RNA)
where:
Base-Base interactions energy: -1550.818
where: short stacking energy: -673.518
Base-Backbone interact. energy: -2.760
local terms energy: -690.399138
where:
bonds (distance) C4'-P energy: -124.558
bonds (distance) P-C4' energy: -138.964
flat angles C4'-P-C4' energy: -139.057
flat angles P-C4'-P energy: -86.634
tors. eta vs tors. theta energy: -201.187
Dist. restrs. and SS energy: 13.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -2206.178817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.178817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.823180 (E_RNA)
where:
Base-Base interactions energy: -1568.524
where: short stacking energy: -647.002
Base-Backbone interact. energy: -0.385
local terms energy: -643.914608
where:
bonds (distance) C4'-P energy: -115.918
bonds (distance) P-C4' energy: -116.613
flat angles C4'-P-C4' energy: -143.482
flat angles P-C4'-P energy: -77.589
tors. eta vs tors. theta energy: -190.313
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: 9, replica: 1
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -2110.730229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.730229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.396923 (E_RNA)
where:
Base-Base interactions energy: -1520.087
where: short stacking energy: -634.360
Base-Backbone interact. energy: -1.865
local terms energy: -606.444378
where:
bonds (distance) C4'-P energy: -91.472
bonds (distance) P-C4' energy: -113.832
flat angles C4'-P-C4' energy: -142.038
flat angles P-C4'-P energy: -86.092
tors. eta vs tors. theta energy: -173.010
Dist. restrs. and SS energy: 17.667 (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: 7
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -2041.544265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.544265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.950542 (E_RNA)
where:
Base-Base interactions energy: -1475.154
where: short stacking energy: -607.470
Base-Backbone interact. energy: -0.058
local terms energy: -591.738626
where:
bonds (distance) C4'-P energy: -95.686
bonds (distance) P-C4' energy: -96.356
flat angles C4'-P-C4' energy: -147.758
flat angles P-C4'-P energy: -81.076
tors. eta vs tors. theta energy: -170.863
Dist. restrs. and SS energy: 25.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -2807.900140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.900140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.684766 (E_RNA)
where:
Base-Base interactions energy: -1954.495
where: short stacking energy: -817.901
Base-Backbone interact. energy: -4.612
local terms energy: -851.578096
where:
bonds (distance) C4'-P energy: -136.290
bonds (distance) P-C4' energy: -143.536
flat angles C4'-P-C4' energy: -188.118
flat angles P-C4'-P energy: -131.586
tors. eta vs tors. theta energy: -252.048
Dist. restrs. and SS energy: 2.785 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -2654.989816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.989816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.032471 (E_RNA)
where:
Base-Base interactions energy: -1857.631
where: short stacking energy: -789.284
Base-Backbone interact. energy: -6.233
local terms energy: -795.168500
where:
bonds (distance) C4'-P energy: -126.500
bonds (distance) P-C4' energy: -148.028
flat angles C4'-P-C4' energy: -165.420
flat angles P-C4'-P energy: -117.039
tors. eta vs tors. theta energy: -238.181
Dist. restrs. and SS energy: 4.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -2612.608872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.608872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.182219 (E_RNA)
where:
Base-Base interactions energy: -1804.970
where: short stacking energy: -764.596
Base-Backbone interact. energy: -1.892
local terms energy: -810.320150
where:
bonds (distance) C4'-P energy: -135.481
bonds (distance) P-C4' energy: -145.263
flat angles C4'-P-C4' energy: -163.789
flat angles P-C4'-P energy: -120.795
tors. eta vs tors. theta energy: -244.993
Dist. restrs. and SS energy: 4.573 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -2574.729548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.729548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.375951 (E_RNA)
where:
Base-Base interactions energy: -1804.209
where: short stacking energy: -785.018
Base-Backbone interact. energy: -2.208
local terms energy: -773.959573
where:
bonds (distance) C4'-P energy: -146.619
bonds (distance) P-C4' energy: -125.249
flat angles C4'-P-C4' energy: -153.147
flat angles P-C4'-P energy: -107.892
tors. eta vs tors. theta energy: -241.052
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: 5, replica: 6
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -2435.007565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.007565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.687521 (E_RNA)
where:
Base-Base interactions energy: -1704.734
where: short stacking energy: -710.624
Base-Backbone interact. energy: -2.453
local terms energy: -734.500699
where:
bonds (distance) C4'-P energy: -131.641
bonds (distance) P-C4' energy: -126.291
flat angles C4'-P-C4' energy: -161.380
flat angles P-C4'-P energy: -103.875
tors. eta vs tors. theta energy: -211.313
Dist. restrs. and SS energy: 6.680 (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: 5
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -2366.707423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.707423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.722129 (E_RNA)
where:
Base-Base interactions energy: -1647.239
where: short stacking energy: -680.890
Base-Backbone interact. energy: -0.624
local terms energy: -725.858637
where:
bonds (distance) C4'-P energy: -127.910
bonds (distance) P-C4' energy: -140.345
flat angles C4'-P-C4' energy: -166.052
flat angles P-C4'-P energy: -84.969
tors. eta vs tors. theta energy: -206.582
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: 7, replica: 9
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -2197.377030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.377030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.644012 (E_RNA)
where:
Base-Base interactions energy: -1547.879
where: short stacking energy: -638.183
Base-Backbone interact. energy: -3.434
local terms energy: -660.330421
where:
bonds (distance) C4'-P energy: -106.589
bonds (distance) P-C4' energy: -116.927
flat angles C4'-P-C4' energy: -138.560
flat angles P-C4'-P energy: -115.155
tors. eta vs tors. theta energy: -183.100
Dist. restrs. and SS energy: 14.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -2182.551492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.551492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.257830 (E_RNA)
where:
Base-Base interactions energy: -1560.882
where: short stacking energy: -654.118
Base-Backbone interact. energy: -4.568
local terms energy: -631.807727
where:
bonds (distance) C4'-P energy: -114.100
bonds (distance) P-C4' energy: -121.138
flat angles C4'-P-C4' energy: -134.179
flat angles P-C4'-P energy: -84.665
tors. eta vs tors. theta energy: -177.725
Dist. restrs. and SS energy: 14.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -2131.854112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.854112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.965302 (E_RNA)
where:
Base-Base interactions energy: -1536.829
where: short stacking energy: -661.235
Base-Backbone interact. energy: -1.513
local terms energy: -605.623355
where:
bonds (distance) C4'-P energy: -119.329
bonds (distance) P-C4' energy: -106.927
flat angles C4'-P-C4' energy: -123.919
flat angles P-C4'-P energy: -73.668
tors. eta vs tors. theta energy: -181.780
Dist. restrs. and SS energy: 12.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -1979.731445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.731445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.351965 (E_RNA)
where:
Base-Base interactions energy: -1414.108
where: short stacking energy: -587.006
Base-Backbone interact. energy: 8.849
local terms energy: -589.092629
where:
bonds (distance) C4'-P energy: -101.257
bonds (distance) P-C4' energy: -118.724
flat angles C4'-P-C4' energy: -112.965
flat angles P-C4'-P energy: -81.962
tors. eta vs tors. theta energy: -174.186
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: 1, replica: 3
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -2827.398776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2827.398776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2830.092888 (E_RNA)
where:
Base-Base interactions energy: -1965.448
where: short stacking energy: -864.387
Base-Backbone interact. energy: -5.074
local terms energy: -859.571310
where:
bonds (distance) C4'-P energy: -150.666
bonds (distance) P-C4' energy: -152.909
flat angles C4'-P-C4' energy: -179.598
flat angles P-C4'-P energy: -113.813
tors. eta vs tors. theta energy: -262.585
Dist. restrs. and SS energy: 2.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -2713.906089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.906089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.244410 (E_RNA)
where:
Base-Base interactions energy: -1888.356
where: short stacking energy: -810.274
Base-Backbone interact. energy: -2.866
local terms energy: -826.022472
where:
bonds (distance) C4'-P energy: -141.151
bonds (distance) P-C4' energy: -141.361
flat angles C4'-P-C4' energy: -177.842
flat angles P-C4'-P energy: -117.731
tors. eta vs tors. theta energy: -247.938
Dist. restrs. and SS energy: 3.338 (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: 424
Temperature: 1.000000
Total energy: -2631.445936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.445936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.541675 (E_RNA)
where:
Base-Base interactions energy: -1846.079
where: short stacking energy: -777.285
Base-Backbone interact. energy: -1.350
local terms energy: -786.112262
where:
bonds (distance) C4'-P energy: -126.150
bonds (distance) P-C4' energy: -150.453
flat angles C4'-P-C4' energy: -161.766
flat angles P-C4'-P energy: -113.045
tors. eta vs tors. theta energy: -234.698
Dist. restrs. and SS energy: 2.096 (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: 10
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -2584.525135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.525135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.147490 (E_RNA)
where:
Base-Base interactions energy: -1823.279
where: short stacking energy: -757.647
Base-Backbone interact. energy: -1.855
local terms energy: -763.013390
where:
bonds (distance) C4'-P energy: -125.631
bonds (distance) P-C4' energy: -130.782
flat angles C4'-P-C4' energy: -148.352
flat angles P-C4'-P energy: -117.969
tors. eta vs tors. theta energy: -240.280
Dist. restrs. and SS energy: 3.622 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -2401.813605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.813605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.841419 (E_RNA)
where:
Base-Base interactions energy: -1703.270
where: short stacking energy: -725.347
Base-Backbone interact. energy: -2.019
local terms energy: -700.551996
where:
bonds (distance) C4'-P energy: -131.499
bonds (distance) P-C4' energy: -117.570
flat angles C4'-P-C4' energy: -148.350
flat angles P-C4'-P energy: -106.331
tors. eta vs tors. theta energy: -196.802
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: 6, replica: 5
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -2351.725193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.725193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.809454 (E_RNA)
where:
Base-Base interactions energy: -1653.996
where: short stacking energy: -685.910
Base-Backbone interact. energy: -2.182
local terms energy: -705.631704
where:
bonds (distance) C4'-P energy: -115.037
bonds (distance) P-C4' energy: -133.841
flat angles C4'-P-C4' energy: -151.937
flat angles P-C4'-P energy: -106.298
tors. eta vs tors. theta energy: -198.519
Dist. restrs. and SS energy: 10.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -2261.206108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.206108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.181202 (E_RNA)
where:
Base-Base interactions energy: -1595.437
where: short stacking energy: -667.634
Base-Backbone interact. energy: -2.459
local terms energy: -671.285965
where:
bonds (distance) C4'-P energy: -108.736
bonds (distance) P-C4' energy: -126.579
flat angles C4'-P-C4' energy: -149.601
flat angles P-C4'-P energy: -94.934
tors. eta vs tors. theta energy: -191.436
Dist. restrs. and SS energy: 7.975 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -2151.273919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.273919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.376108 (E_RNA)
where:
Base-Base interactions energy: -1518.980
where: short stacking energy: -614.733
Base-Backbone interact. energy: -1.975
local terms energy: -643.420883
where:
bonds (distance) C4'-P energy: -126.202
bonds (distance) P-C4' energy: -106.422
flat angles C4'-P-C4' energy: -141.405
flat angles P-C4'-P energy: -87.906
tors. eta vs tors. theta energy: -181.486
Dist. restrs. and SS energy: 13.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -2121.267014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.267014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.668153 (E_RNA)
where:
Base-Base interactions energy: -1486.883
where: short stacking energy: -604.453
Base-Backbone interact. energy: 0.772
local terms energy: -646.557009
where:
bonds (distance) C4'-P energy: -120.453
bonds (distance) P-C4' energy: -113.231
flat angles C4'-P-C4' energy: -149.125
flat angles P-C4'-P energy: -89.195
tors. eta vs tors. theta energy: -174.552
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: 7
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -1983.144234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.144234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.753911 (E_RNA)
where:
Base-Base interactions energy: -1375.121
where: short stacking energy: -577.121
Base-Backbone interact. energy: -1.528
local terms energy: -621.105121
where:
bonds (distance) C4'-P energy: -101.743
bonds (distance) P-C4' energy: -128.721
flat angles C4'-P-C4' energy: -125.794
flat angles P-C4'-P energy: -83.340
tors. eta vs tors. theta energy: -181.508
Dist. restrs. and SS energy: 14.610 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -2838.924063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2838.924063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2842.523214 (E_RNA)
where:
Base-Base interactions energy: -2006.230
where: short stacking energy: -833.685
Base-Backbone interact. energy: -0.151
local terms energy: -836.142712
where:
bonds (distance) C4'-P energy: -141.762
bonds (distance) P-C4' energy: -144.591
flat angles C4'-P-C4' energy: -178.867
flat angles P-C4'-P energy: -121.044
tors. eta vs tors. theta energy: -249.879
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: 2, replica: 8
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -2677.274190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.274190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.331881 (E_RNA)
where:
Base-Base interactions energy: -1863.945
where: short stacking energy: -793.962
Base-Backbone interact. energy: -5.729
local terms energy: -810.657052
where:
bonds (distance) C4'-P energy: -137.366
bonds (distance) P-C4' energy: -141.290
flat angles C4'-P-C4' energy: -177.042
flat angles P-C4'-P energy: -115.492
tors. eta vs tors. theta energy: -239.467
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: 3, replica: 2
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -2630.807823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.807823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.205621 (E_RNA)
where:
Base-Base interactions energy: -1826.432
where: short stacking energy: -777.388
Base-Backbone interact. energy: 0.181
local terms energy: -807.954579
where:
bonds (distance) C4'-P energy: -146.458
bonds (distance) P-C4' energy: -134.772
flat angles C4'-P-C4' energy: -170.345
flat angles P-C4'-P energy: -121.434
tors. eta vs tors. theta energy: -234.945
Dist. restrs. and SS energy: 3.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -2581.173166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.173166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.655210 (E_RNA)
where:
Base-Base interactions energy: -1806.102
where: short stacking energy: -757.394
Base-Backbone interact. energy: -0.903
local terms energy: -776.650218
where:
bonds (distance) C4'-P energy: -129.369
bonds (distance) P-C4' energy: -137.208
flat angles C4'-P-C4' energy: -163.856
flat angles P-C4'-P energy: -111.410
tors. eta vs tors. theta energy: -234.808
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: 5, replica: 6
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -2415.350426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.350426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.333568 (E_RNA)
where:
Base-Base interactions energy: -1705.219
where: short stacking energy: -734.808
Base-Backbone interact. energy: -3.067
local terms energy: -715.047475
where:
bonds (distance) C4'-P energy: -120.049
bonds (distance) P-C4' energy: -132.423
flat angles C4'-P-C4' energy: -144.302
flat angles P-C4'-P energy: -103.757
tors. eta vs tors. theta energy: -214.516
Dist. restrs. and SS energy: 7.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -2355.340417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.340417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.119803 (E_RNA)
where:
Base-Base interactions energy: -1669.670
where: short stacking energy: -701.613
Base-Backbone interact. energy: -1.647
local terms energy: -690.802245
where:
bonds (distance) C4'-P energy: -109.149
bonds (distance) P-C4' energy: -125.887
flat angles C4'-P-C4' energy: -148.536
flat angles P-C4'-P energy: -99.931
tors. eta vs tors. theta energy: -207.300
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: 5
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -2324.125266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.125266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.723973 (E_RNA)
where:
Base-Base interactions energy: -1666.465
where: short stacking energy: -685.305
Base-Backbone interact. energy: -0.522
local terms energy: -666.737643
where:
bonds (distance) C4'-P energy: -108.164
bonds (distance) P-C4' energy: -121.598
flat angles C4'-P-C4' energy: -150.939
flat angles P-C4'-P energy: -101.285
tors. eta vs tors. theta energy: -184.751
Dist. restrs. and SS energy: 9.599 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -2138.102200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.102200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.714120 (E_RNA)
where:
Base-Base interactions energy: -1523.228
where: short stacking energy: -645.228
Base-Backbone interact. energy: -1.604
local terms energy: -625.881972
where:
bonds (distance) C4'-P energy: -107.123
bonds (distance) P-C4' energy: -123.134
flat angles C4'-P-C4' energy: -148.042
flat angles P-C4'-P energy: -66.409
tors. eta vs tors. theta energy: -181.174
Dist. restrs. and SS energy: 12.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -2102.996088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.996088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.189704 (E_RNA)
where:
Base-Base interactions energy: -1497.663
where: short stacking energy: -630.168
Base-Backbone interact. energy: -1.046
local terms energy: -616.481267
where:
bonds (distance) C4'-P energy: -96.505
bonds (distance) P-C4' energy: -114.871
flat angles C4'-P-C4' energy: -141.534
flat angles P-C4'-P energy: -76.692
tors. eta vs tors. theta energy: -186.879
Dist. restrs. and SS energy: 12.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -2002.915295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.915295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.768022 (E_RNA)
where:
Base-Base interactions energy: -1423.636
where: short stacking energy: -559.035
Base-Backbone interact. energy: 6.997
local terms energy: -603.128439
where:
bonds (distance) C4'-P energy: -127.219
bonds (distance) P-C4' energy: -121.794
flat angles C4'-P-C4' energy: -131.067
flat angles P-C4'-P energy: -62.704
tors. eta vs tors. theta energy: -160.344
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: 1, replica: 3
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -2813.029968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.029968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2815.932533 (E_RNA)
where:
Base-Base interactions energy: -1964.279
where: short stacking energy: -843.107
Base-Backbone interact. energy: -6.650
local terms energy: -845.003341
where:
bonds (distance) C4'-P energy: -142.466
bonds (distance) P-C4' energy: -149.645
flat angles C4'-P-C4' energy: -169.107
flat angles P-C4'-P energy: -125.227
tors. eta vs tors. theta energy: -258.558
Dist. restrs. and SS energy: 2.903 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -2714.652835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.652835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.478039 (E_RNA)
where:
Base-Base interactions energy: -1913.148
where: short stacking energy: -822.656
Base-Backbone interact. energy: -3.333
local terms energy: -800.996794
where:
bonds (distance) C4'-P energy: -143.589
bonds (distance) P-C4' energy: -135.091
flat angles C4'-P-C4' energy: -159.932
flat angles P-C4'-P energy: -120.397
tors. eta vs tors. theta energy: -241.988
Dist. restrs. and SS energy: 2.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -2672.106080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.106080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.065158 (E_RNA)
where:
Base-Base interactions energy: -1874.400
where: short stacking energy: -809.044
Base-Backbone interact. energy: -2.209
local terms energy: -800.455230
where:
bonds (distance) C4'-P energy: -141.728
bonds (distance) P-C4' energy: -139.435
flat angles C4'-P-C4' energy: -159.395
flat angles P-C4'-P energy: -112.156
tors. eta vs tors. theta energy: -247.741
Dist. restrs. and SS energy: 4.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -2555.447345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.447345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.869091 (E_RNA)
where:
Base-Base interactions energy: -1800.122
where: short stacking energy: -758.507
Base-Backbone interact. energy: 3.019
local terms energy: -762.766167
where:
bonds (distance) C4'-P energy: -118.828
bonds (distance) P-C4' energy: -135.262
flat angles C4'-P-C4' energy: -165.876
flat angles P-C4'-P energy: -114.090
tors. eta vs tors. theta energy: -228.710
Dist. restrs. and SS energy: 4.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -2446.080089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.080089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.068453 (E_RNA)
where:
Base-Base interactions energy: -1694.143
where: short stacking energy: -715.047
Base-Backbone interact. energy: -0.518
local terms energy: -760.407143
where:
bonds (distance) C4'-P energy: -124.934
bonds (distance) P-C4' energy: -135.525
flat angles C4'-P-C4' energy: -177.050
flat angles P-C4'-P energy: -95.334
tors. eta vs tors. theta energy: -227.565
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: 6, replica: 4
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -2348.260610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.260610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.445111 (E_RNA)
where:
Base-Base interactions energy: -1652.140
where: short stacking energy: -711.008
Base-Backbone interact. energy: -2.425
local terms energy: -705.879851
where:
bonds (distance) C4'-P energy: -131.839
bonds (distance) P-C4' energy: -124.852
flat angles C4'-P-C4' energy: -147.026
flat angles P-C4'-P energy: -101.235
tors. eta vs tors. theta energy: -200.928
Dist. restrs. and SS energy: 12.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -2324.393235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.393235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.442753 (E_RNA)
where:
Base-Base interactions energy: -1638.411
where: short stacking energy: -682.613
Base-Backbone interact. energy: 1.013
local terms energy: -693.044546
where:
bonds (distance) C4'-P energy: -116.521
bonds (distance) P-C4' energy: -123.049
flat angles C4'-P-C4' energy: -141.209
flat angles P-C4'-P energy: -105.904
tors. eta vs tors. theta energy: -206.361
Dist. restrs. and SS energy: 6.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -2110.304845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.304845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.488385 (E_RNA)
where:
Base-Base interactions energy: -1505.840
where: short stacking energy: -624.373
Base-Backbone interact. energy: -1.659
local terms energy: -616.989613
where:
bonds (distance) C4'-P energy: -123.477
bonds (distance) P-C4' energy: -111.558
flat angles C4'-P-C4' energy: -151.585
flat angles P-C4'-P energy: -59.631
tors. eta vs tors. theta energy: -170.739
Dist. restrs. and SS energy: 14.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -2084.422021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.422021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.884389 (E_RNA)
where:
Base-Base interactions energy: -1465.218
where: short stacking energy: -629.828
Base-Backbone interact. energy: 2.894
local terms energy: -639.560291
where:
bonds (distance) C4'-P energy: -111.641
bonds (distance) P-C4' energy: -117.413
flat angles C4'-P-C4' energy: -129.108
flat angles P-C4'-P energy: -100.296
tors. eta vs tors. theta energy: -181.103
Dist. restrs. and SS energy: 17.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -2000.940791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.940791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.077614 (E_RNA)
where:
Base-Base interactions energy: -1451.418
where: short stacking energy: -582.218
Base-Backbone interact. energy: -3.929
local terms energy: -571.730660
where:
bonds (distance) C4'-P energy: -106.671
bonds (distance) P-C4' energy: -92.611
flat angles C4'-P-C4' energy: -132.286
flat angles P-C4'-P energy: -68.128
tors. eta vs tors. theta energy: -172.035
Dist. restrs. and SS energy: 26.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -2799.659176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.659176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.158831 (E_RNA)
where:
Base-Base interactions energy: -1940.623
where: short stacking energy: -830.885
Base-Backbone interact. energy: -5.696
local terms energy: -856.840160
where:
bonds (distance) C4'-P energy: -152.669
bonds (distance) P-C4' energy: -142.889
flat angles C4'-P-C4' energy: -179.492
flat angles P-C4'-P energy: -127.054
tors. eta vs tors. theta energy: -254.735
Dist. restrs. and SS energy: 3.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -2701.907139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.907139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.766593 (E_RNA)
where:
Base-Base interactions energy: -1892.047
where: short stacking energy: -808.882
Base-Backbone interact. energy: -1.941
local terms energy: -812.778998
where:
bonds (distance) C4'-P energy: -144.785
bonds (distance) P-C4' energy: -154.638
flat angles C4'-P-C4' energy: -162.496
flat angles P-C4'-P energy: -104.467
tors. eta vs tors. theta energy: -246.393
Dist. restrs. and SS energy: 4.859 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -2622.514478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.514478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.745197 (E_RNA)
where:
Base-Base interactions energy: -1837.266
where: short stacking energy: -778.602
Base-Backbone interact. energy: -2.270
local terms energy: -788.209106
where:
bonds (distance) C4'-P energy: -143.413
bonds (distance) P-C4' energy: -134.479
flat angles C4'-P-C4' energy: -160.882
flat angles P-C4'-P energy: -112.010
tors. eta vs tors. theta energy: -237.425
Dist. restrs. and SS energy: 5.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -2534.920311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.920311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.514435 (E_RNA)
where:
Base-Base interactions energy: -1786.125
where: short stacking energy: -738.623
Base-Backbone interact. energy: 0.953
local terms energy: -754.342680
where:
bonds (distance) C4'-P energy: -120.101
bonds (distance) P-C4' energy: -137.522
flat angles C4'-P-C4' energy: -167.647
flat angles P-C4'-P energy: -104.121
tors. eta vs tors. theta energy: -224.951
Dist. restrs. and SS energy: 4.594 (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: 6
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -2437.506040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.506040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.725493 (E_RNA)
where:
Base-Base interactions energy: -1714.133
where: short stacking energy: -711.772
Base-Backbone interact. energy: -1.699
local terms energy: -731.894022
where:
bonds (distance) C4'-P energy: -133.283
bonds (distance) P-C4' energy: -129.468
flat angles C4'-P-C4' energy: -162.562
flat angles P-C4'-P energy: -89.427
tors. eta vs tors. theta energy: -217.154
Dist. restrs. and SS energy: 10.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -2371.868962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.868962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.504028 (E_RNA)
where:
Base-Base interactions energy: -1684.142
where: short stacking energy: -699.452
Base-Backbone interact. energy: -1.025
local terms energy: -696.337412
where:
bonds (distance) C4'-P energy: -115.887
bonds (distance) P-C4' energy: -140.581
flat angles C4'-P-C4' energy: -158.161
flat angles P-C4'-P energy: -79.164
tors. eta vs tors. theta energy: -202.545
Dist. restrs. and SS energy: 9.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -2325.760588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.760588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.835279 (E_RNA)
where:
Base-Base interactions energy: -1677.488
where: short stacking energy: -674.409
Base-Backbone interact. energy: 2.749
local terms energy: -657.096334
where:
bonds (distance) C4'-P energy: -93.979
bonds (distance) P-C4' energy: -138.159
flat angles C4'-P-C4' energy: -137.306
flat angles P-C4'-P energy: -83.879
tors. eta vs tors. theta energy: -203.772
Dist. restrs. and SS energy: 6.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -2123.526154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.526154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.956664 (E_RNA)
where:
Base-Base interactions energy: -1499.955
where: short stacking energy: -632.292
Base-Backbone interact. energy: -1.503
local terms energy: -637.499399
where:
bonds (distance) C4'-P energy: -110.507
bonds (distance) P-C4' energy: -105.791
flat angles C4'-P-C4' energy: -160.296
flat angles P-C4'-P energy: -80.647
tors. eta vs tors. theta energy: -180.258
Dist. restrs. and SS energy: 15.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -2096.598943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.598943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.695490 (E_RNA)
where:
Base-Base interactions energy: -1492.776
where: short stacking energy: -635.900
Base-Backbone interact. energy: -0.258
local terms energy: -622.661729
where:
bonds (distance) C4'-P energy: -98.373
bonds (distance) P-C4' energy: -109.353
flat angles C4'-P-C4' energy: -139.485
flat angles P-C4'-P energy: -95.942
tors. eta vs tors. theta energy: -179.508
Dist. restrs. and SS energy: 19.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -1943.303256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.303256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.170370 (E_RNA)
where:
Base-Base interactions energy: -1418.641
where: short stacking energy: -576.529
Base-Backbone interact. energy: -0.224
local terms energy: -557.304847
where:
bonds (distance) C4'-P energy: -93.412
bonds (distance) P-C4' energy: -115.267
flat angles C4'-P-C4' energy: -104.359
flat angles P-C4'-P energy: -81.307
tors. eta vs tors. theta energy: -162.960
Dist. restrs. and SS energy: 32.867 (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: 3
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -2840.722655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2840.722655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2844.897458 (E_RNA)
where:
Base-Base interactions energy: -1993.629
where: short stacking energy: -826.768
Base-Backbone interact. energy: -2.568
local terms energy: -848.700757
where:
bonds (distance) C4'-P energy: -140.586
bonds (distance) P-C4' energy: -166.213
flat angles C4'-P-C4' energy: -167.418
flat angles P-C4'-P energy: -112.894
tors. eta vs tors. theta energy: -261.589
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: 2, replica: 10
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -2710.269194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.269194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.679819 (E_RNA)
where:
Base-Base interactions energy: -1909.022
where: short stacking energy: -794.366
Base-Backbone interact. energy: -2.332
local terms energy: -802.326143
where:
bonds (distance) C4'-P energy: -137.756
bonds (distance) P-C4' energy: -146.832
flat angles C4'-P-C4' energy: -159.389
flat angles P-C4'-P energy: -114.498
tors. eta vs tors. theta energy: -243.851
Dist. restrs. and SS energy: 3.411 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -2609.762337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.762337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.190926 (E_RNA)
where:
Base-Base interactions energy: -1848.748
where: short stacking energy: -802.936
Base-Backbone interact. energy: 3.651
local terms energy: -769.094120
where:
bonds (distance) C4'-P energy: -138.395
bonds (distance) P-C4' energy: -128.068
flat angles C4'-P-C4' energy: -151.838
flat angles P-C4'-P energy: -115.009
tors. eta vs tors. theta energy: -235.784
Dist. restrs. and SS energy: 4.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -2557.818816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.818816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.799312 (E_RNA)
where:
Base-Base interactions energy: -1798.070
where: short stacking energy: -750.200
Base-Backbone interact. energy: 0.313
local terms energy: -763.042934
where:
bonds (distance) C4'-P energy: -136.308
bonds (distance) P-C4' energy: -130.424
flat angles C4'-P-C4' energy: -161.024
flat angles P-C4'-P energy: -108.078
tors. eta vs tors. theta energy: -227.209
Dist. restrs. and SS energy: 2.980 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -2428.159889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.159889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.560830 (E_RNA)
where:
Base-Base interactions energy: -1693.028
where: short stacking energy: -721.671
Base-Backbone interact. energy: -4.560
local terms energy: -734.972374
where:
bonds (distance) C4'-P energy: -117.532
bonds (distance) P-C4' energy: -136.010
flat angles C4'-P-C4' energy: -159.407
flat angles P-C4'-P energy: -102.226
tors. eta vs tors. theta energy: -219.798
Dist. restrs. and SS energy: 4.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -2360.829989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.829989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.503952 (E_RNA)
where:
Base-Base interactions energy: -1681.237
where: short stacking energy: -702.234
Base-Backbone interact. energy: -1.354
local terms energy: -684.912214
where:
bonds (distance) C4'-P energy: -115.220
bonds (distance) P-C4' energy: -139.034
flat angles C4'-P-C4' energy: -128.451
flat angles P-C4'-P energy: -111.513
tors. eta vs tors. theta energy: -190.693
Dist. restrs. and SS energy: 6.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -2328.658528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.658528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.559572 (E_RNA)
where:
Base-Base interactions energy: -1646.140
where: short stacking energy: -684.155
Base-Backbone interact. energy: -2.548
local terms energy: -685.871438
where:
bonds (distance) C4'-P energy: -129.270
bonds (distance) P-C4' energy: -125.971
flat angles C4'-P-C4' energy: -140.065
flat angles P-C4'-P energy: -91.218
tors. eta vs tors. theta energy: -199.347
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: 8, replica: 9
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -2073.038496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.038496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.037539 (E_RNA)
where:
Base-Base interactions energy: -1473.405
where: short stacking energy: -591.143
Base-Backbone interact. energy: -3.917
local terms energy: -607.715206
where:
bonds (distance) C4'-P energy: -117.709
bonds (distance) P-C4' energy: -111.978
flat angles C4'-P-C4' energy: -129.150
flat angles P-C4'-P energy: -80.024
tors. eta vs tors. theta energy: -168.855
Dist. restrs. and SS energy: 11.999 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -2113.377486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.377486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.071702 (E_RNA)
where:
Base-Base interactions energy: -1495.865
where: short stacking energy: -622.561
Base-Backbone interact. energy: 0.177
local terms energy: -632.383524
where:
bonds (distance) C4'-P energy: -94.036
bonds (distance) P-C4' energy: -115.520
flat angles C4'-P-C4' energy: -147.158
flat angles P-C4'-P energy: -93.568
tors. eta vs tors. theta energy: -182.101
Dist. restrs. and SS energy: 14.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -1954.695810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.695810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.149961 (E_RNA)
where:
Base-Base interactions energy: -1396.708
where: short stacking energy: -550.400
Base-Backbone interact. energy: 3.672
local terms energy: -575.114039
where:
bonds (distance) C4'-P energy: -111.975
bonds (distance) P-C4' energy: -113.294
flat angles C4'-P-C4' energy: -120.046
flat angles P-C4'-P energy: -76.105
tors. eta vs tors. theta energy: -153.694
Dist. restrs. and SS energy: 13.454 (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: 3
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -2827.684747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2827.684747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2830.329593 (E_RNA)
where:
Base-Base interactions energy: -1987.629
where: short stacking energy: -831.601
Base-Backbone interact. energy: -4.450
local terms energy: -838.250924
where:
bonds (distance) C4'-P energy: -130.385
bonds (distance) P-C4' energy: -151.525
flat angles C4'-P-C4' energy: -177.907
flat angles P-C4'-P energy: -129.009
tors. eta vs tors. theta energy: -249.425
Dist. restrs. and SS energy: 2.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -2708.286995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.286995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.364400 (E_RNA)
where:
Base-Base interactions energy: -1901.348
where: short stacking energy: -803.289
Base-Backbone interact. energy: -3.921
local terms energy: -808.095974
where:
bonds (distance) C4'-P energy: -151.071
bonds (distance) P-C4' energy: -128.414
flat angles C4'-P-C4' energy: -168.141
flat angles P-C4'-P energy: -108.389
tors. eta vs tors. theta energy: -252.081
Dist. restrs. and SS energy: 5.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -2619.541351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.541351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.703033 (E_RNA)
where:
Base-Base interactions energy: -1850.519
where: short stacking energy: -796.095
Base-Backbone interact. energy: 3.615
local terms energy: -774.798767
where:
bonds (distance) C4'-P energy: -130.293
bonds (distance) P-C4' energy: -133.082
flat angles C4'-P-C4' energy: -161.698
flat angles P-C4'-P energy: -108.045
tors. eta vs tors. theta energy: -241.681
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: 4, replica: 2
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -2565.457788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.457788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.692324 (E_RNA)
where:
Base-Base interactions energy: -1801.259
where: short stacking energy: -752.388
Base-Backbone interact. energy: -3.553
local terms energy: -764.879740
where:
bonds (distance) C4'-P energy: -143.080
bonds (distance) P-C4' energy: -134.646
flat angles C4'-P-C4' energy: -160.353
flat angles P-C4'-P energy: -105.388
tors. eta vs tors. theta energy: -221.412
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: 5, replica: 6
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -2447.045332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.045332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.419721 (E_RNA)
where:
Base-Base interactions energy: -1681.641
where: short stacking energy: -729.358
Base-Backbone interact. energy: -1.920
local terms energy: -768.859503
where:
bonds (distance) C4'-P energy: -140.797
bonds (distance) P-C4' energy: -137.756
flat angles C4'-P-C4' energy: -153.946
flat angles P-C4'-P energy: -115.090
tors. eta vs tors. theta energy: -221.271
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: 6, replica: 5
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -2386.611694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.611694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.615478 (E_RNA)
where:
Base-Base interactions energy: -1706.703
where: short stacking energy: -698.279
Base-Backbone interact. energy: -1.722
local terms energy: -685.190257
where:
bonds (distance) C4'-P energy: -101.635
bonds (distance) P-C4' energy: -111.376
flat angles C4'-P-C4' energy: -153.363
flat angles P-C4'-P energy: -112.337
tors. eta vs tors. theta energy: -206.480
Dist. restrs. and SS energy: 7.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -2271.151287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.151287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.641102 (E_RNA)
where:
Base-Base interactions energy: -1583.575
where: short stacking energy: -634.624
Base-Backbone interact. energy: -1.339
local terms energy: -693.727148
where:
bonds (distance) C4'-P energy: -147.151
bonds (distance) P-C4' energy: -135.820
flat angles C4'-P-C4' energy: -146.056
flat angles P-C4'-P energy: -85.195
tors. eta vs tors. theta energy: -179.505
Dist. restrs. and SS energy: 7.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -2222.560095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.560095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.236895 (E_RNA)
where:
Base-Base interactions energy: -1581.565
where: short stacking energy: -668.848
Base-Backbone interact. energy: -4.743
local terms energy: -641.929383
where:
bonds (distance) C4'-P energy: -110.418
bonds (distance) P-C4' energy: -121.181
flat angles C4'-P-C4' energy: -135.945
flat angles P-C4'-P energy: -82.631
tors. eta vs tors. theta energy: -191.755
Dist. restrs. and SS energy: 5.677 (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: 429
Temperature: 1.300000
Total energy: -2103.434004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.434004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.324157 (E_RNA)
where:
Base-Base interactions energy: -1502.014
where: short stacking energy: -621.426
Base-Backbone interact. energy: -1.920
local terms energy: -616.390097
where:
bonds (distance) C4'-P energy: -109.922
bonds (distance) P-C4' energy: -108.972
flat angles C4'-P-C4' energy: -128.410
flat angles P-C4'-P energy: -89.555
tors. eta vs tors. theta energy: -179.531
Dist. restrs. and SS energy: 16.890 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -1970.402641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.402641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.048797 (E_RNA)
where:
Base-Base interactions energy: -1398.813
where: short stacking energy: -574.393
Base-Backbone interact. energy: -5.153
local terms energy: -582.082039
where:
bonds (distance) C4'-P energy: -104.599
bonds (distance) P-C4' energy: -115.659
flat angles C4'-P-C4' energy: -119.203
flat angles P-C4'-P energy: -85.228
tors. eta vs tors. theta energy: -157.392
Dist. restrs. and SS energy: 15.646 (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: 3
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -2817.882512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.882512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2820.187237 (E_RNA)
where:
Base-Base interactions energy: -1951.683
where: short stacking energy: -833.855
Base-Backbone interact. energy: -1.029
local terms energy: -867.475173
where:
bonds (distance) C4'-P energy: -154.134
bonds (distance) P-C4' energy: -158.544
flat angles C4'-P-C4' energy: -173.692
flat angles P-C4'-P energy: -130.396
tors. eta vs tors. theta energy: -250.710
Dist. restrs. and SS energy: 2.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -2714.695374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.695374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.870592 (E_RNA)
where:
Base-Base interactions energy: -1886.134
where: short stacking energy: -804.642
Base-Backbone interact. energy: -6.041
local terms energy: -827.695155
where:
bonds (distance) C4'-P energy: -150.320
bonds (distance) P-C4' energy: -140.843
flat angles C4'-P-C4' energy: -156.438
flat angles P-C4'-P energy: -119.882
tors. eta vs tors. theta energy: -260.213
Dist. restrs. and SS energy: 5.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -2613.491363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.491363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.858848 (E_RNA)
where:
Base-Base interactions energy: -1838.523
where: short stacking energy: -792.237
Base-Backbone interact. energy: -2.452
local terms energy: -779.883773
where:
bonds (distance) C4'-P energy: -120.634
bonds (distance) P-C4' energy: -154.575
flat angles C4'-P-C4' energy: -159.385
flat angles P-C4'-P energy: -104.578
tors. eta vs tors. theta energy: -240.712
Dist. restrs. and SS energy: 7.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -2562.398388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.398388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.873537 (E_RNA)
where:
Base-Base interactions energy: -1807.734
where: short stacking energy: -748.499
Base-Backbone interact. energy: -3.269
local terms energy: -755.871434
where:
bonds (distance) C4'-P energy: -131.008
bonds (distance) P-C4' energy: -146.069
flat angles C4'-P-C4' energy: -145.356
flat angles P-C4'-P energy: -106.530
tors. eta vs tors. theta energy: -226.908
Dist. restrs. and SS energy: 4.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -2413.698573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.698573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.845413 (E_RNA)
where:
Base-Base interactions energy: -1688.082
where: short stacking energy: -684.571
Base-Backbone interact. energy: -2.021
local terms energy: -731.741745
where:
bonds (distance) C4'-P energy: -128.388
bonds (distance) P-C4' energy: -135.100
flat angles C4'-P-C4' energy: -152.255
flat angles P-C4'-P energy: -106.369
tors. eta vs tors. theta energy: -209.630
Dist. restrs. and SS energy: 8.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -2392.594833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.594833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.111095 (E_RNA)
where:
Base-Base interactions energy: -1699.404
where: short stacking energy: -697.205
Base-Backbone interact. energy: -4.691
local terms energy: -694.016620
where:
bonds (distance) C4'-P energy: -119.032
bonds (distance) P-C4' energy: -125.726
flat angles C4'-P-C4' energy: -146.635
flat angles P-C4'-P energy: -97.804
tors. eta vs tors. theta energy: -204.819
Dist. restrs. and SS energy: 5.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -2271.454304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.454304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.469934 (E_RNA)
where:
Base-Base interactions energy: -1616.828
where: short stacking energy: -665.472
Base-Backbone interact. energy: -0.505
local terms energy: -662.137609
where:
bonds (distance) C4'-P energy: -116.549
bonds (distance) P-C4' energy: -118.247
flat angles C4'-P-C4' energy: -157.055
flat angles P-C4'-P energy: -72.509
tors. eta vs tors. theta energy: -197.778
Dist. restrs. and SS energy: 8.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -2212.791936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.791936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.197792 (E_RNA)
where:
Base-Base interactions energy: -1560.156
where: short stacking energy: -623.668
Base-Backbone interact. energy: -1.713
local terms energy: -661.329174
where:
bonds (distance) C4'-P energy: -106.672
bonds (distance) P-C4' energy: -130.185
flat angles C4'-P-C4' energy: -146.028
flat angles P-C4'-P energy: -84.720
tors. eta vs tors. theta energy: -193.723
Dist. restrs. and SS energy: 10.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -2091.308817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.308817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.867468 (E_RNA)
where:
Base-Base interactions energy: -1468.003
where: short stacking energy: -593.847
Base-Backbone interact. energy: -5.069
local terms energy: -635.795498
where:
bonds (distance) C4'-P energy: -124.025
bonds (distance) P-C4' energy: -120.074
flat angles C4'-P-C4' energy: -127.720
flat angles P-C4'-P energy: -84.508
tors. eta vs tors. theta energy: -179.468
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: 10, replica: 7
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -1961.321847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.321847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.093511 (E_RNA)
where:
Base-Base interactions energy: -1384.951
where: short stacking energy: -557.464
Base-Backbone interact. energy: -3.036
local terms energy: -589.106530
where:
bonds (distance) C4'-P energy: -115.734
bonds (distance) P-C4' energy: -121.365
flat angles C4'-P-C4' energy: -132.592
flat angles P-C4'-P energy: -65.530
tors. eta vs tors. theta energy: -153.885
Dist. restrs. and SS energy: 15.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -2825.419506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2825.419506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2828.398515 (E_RNA)
where:
Base-Base interactions energy: -1996.439
where: short stacking energy: -837.879
Base-Backbone interact. energy: -3.985
local terms energy: -827.974136
where:
bonds (distance) C4'-P energy: -149.128
bonds (distance) P-C4' energy: -140.828
flat angles C4'-P-C4' energy: -181.878
flat angles P-C4'-P energy: -103.568
tors. eta vs tors. theta energy: -252.572
Dist. restrs. and SS energy: 2.979 (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: 10
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -2720.425696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.425696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2725.648424 (E_RNA)
where:
Base-Base interactions energy: -1885.468
where: short stacking energy: -802.798
Base-Backbone interact. energy: -4.649
local terms energy: -835.531244
where:
bonds (distance) C4'-P energy: -145.063
bonds (distance) P-C4' energy: -143.619
flat angles C4'-P-C4' energy: -178.393
flat angles P-C4'-P energy: -114.546
tors. eta vs tors. theta energy: -253.910
Dist. restrs. and SS energy: 5.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -2615.163568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.163568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.651566 (E_RNA)
where:
Base-Base interactions energy: -1822.551
where: short stacking energy: -787.876
Base-Backbone interact. energy: -2.251
local terms energy: -794.849954
where:
bonds (distance) C4'-P energy: -147.301
bonds (distance) P-C4' energy: -133.730
flat angles C4'-P-C4' energy: -166.286
flat angles P-C4'-P energy: -107.835
tors. eta vs tors. theta energy: -239.699
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: 4, replica: 8
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -2570.105745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.105745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.436906 (E_RNA)
where:
Base-Base interactions energy: -1799.485
where: short stacking energy: -747.427
Base-Backbone interact. energy: -0.716
local terms energy: -779.235896
where:
bonds (distance) C4'-P energy: -133.383
bonds (distance) P-C4' energy: -141.262
flat angles C4'-P-C4' energy: -166.217
flat angles P-C4'-P energy: -109.043
tors. eta vs tors. theta energy: -229.331
Dist. restrs. and SS energy: 9.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -2422.352990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.352990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.874279 (E_RNA)
where:
Base-Base interactions energy: -1688.624
where: short stacking energy: -697.147
Base-Backbone interact. energy: -2.747
local terms energy: -738.503041
where:
bonds (distance) C4'-P energy: -132.622
bonds (distance) P-C4' energy: -127.003
flat angles C4'-P-C4' energy: -151.671
flat angles P-C4'-P energy: -114.696
tors. eta vs tors. theta energy: -212.510
Dist. restrs. and SS energy: 7.521 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -2383.092756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.092756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.052850 (E_RNA)
where:
Base-Base interactions energy: -1676.090
where: short stacking energy: -683.907
Base-Backbone interact. energy: 0.119
local terms energy: -717.081426
where:
bonds (distance) C4'-P energy: -140.537
bonds (distance) P-C4' energy: -124.662
flat angles C4'-P-C4' energy: -162.934
flat angles P-C4'-P energy: -100.346
tors. eta vs tors. theta energy: -188.602
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: 7, replica: 1
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -2270.282257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.282257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.466887 (E_RNA)
where:
Base-Base interactions energy: -1605.327
where: short stacking energy: -661.592
Base-Backbone interact. energy: -1.210
local terms energy: -673.930544
where:
bonds (distance) C4'-P energy: -121.150
bonds (distance) P-C4' energy: -110.171
flat angles C4'-P-C4' energy: -153.202
flat angles P-C4'-P energy: -93.910
tors. eta vs tors. theta energy: -195.496
Dist. restrs. and SS energy: 10.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -2176.147287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.147287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.711264 (E_RNA)
where:
Base-Base interactions energy: -1547.683
where: short stacking energy: -636.308
Base-Backbone interact. energy: -2.982
local terms energy: -634.046092
where:
bonds (distance) C4'-P energy: -98.998
bonds (distance) P-C4' energy: -127.116
flat angles C4'-P-C4' energy: -139.555
flat angles P-C4'-P energy: -84.473
tors. eta vs tors. theta energy: -183.903
Dist. restrs. and SS energy: 8.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -2104.897982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.897982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.670720 (E_RNA)
where:
Base-Base interactions energy: -1467.762
where: short stacking energy: -637.931
Base-Backbone interact. energy: -3.828
local terms energy: -655.080884
where:
bonds (distance) C4'-P energy: -121.515
bonds (distance) P-C4' energy: -123.666
flat angles C4'-P-C4' energy: -143.585
flat angles P-C4'-P energy: -81.507
tors. eta vs tors. theta energy: -184.807
Dist. restrs. and SS energy: 21.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -2015.801940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.801940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.471152 (E_RNA)
where:
Base-Base interactions energy: -1423.103
where: short stacking energy: -605.630
Base-Backbone interact. energy: -2.188
local terms energy: -611.179977
where:
bonds (distance) C4'-P energy: -108.371
bonds (distance) P-C4' energy: -116.384
flat angles C4'-P-C4' energy: -144.292
flat angles P-C4'-P energy: -77.919
tors. eta vs tors. theta energy: -164.214
Dist. restrs. and SS energy: 20.669 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -2813.553114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.553114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2815.618772 (E_RNA)
where:
Base-Base interactions energy: -1969.984
where: short stacking energy: -833.661
Base-Backbone interact. energy: -0.221
local terms energy: -845.413749
where:
bonds (distance) C4'-P energy: -157.305
bonds (distance) P-C4' energy: -144.340
flat angles C4'-P-C4' energy: -172.827
flat angles P-C4'-P energy: -120.676
tors. eta vs tors. theta energy: -250.266
Dist. restrs. and SS energy: 2.066 (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: 432
Temperature: 0.950000
Total energy: -2724.416376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.416376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.475671 (E_RNA)
where:
Base-Base interactions energy: -1918.235
where: short stacking energy: -820.488
Base-Backbone interact. energy: -1.582
local terms energy: -807.658805
where:
bonds (distance) C4'-P energy: -147.987
bonds (distance) P-C4' energy: -140.371
flat angles C4'-P-C4' energy: -159.497
flat angles P-C4'-P energy: -105.546
tors. eta vs tors. theta energy: -254.257
Dist. restrs. and SS energy: 3.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -2620.031416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.031416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.025656 (E_RNA)
where:
Base-Base interactions energy: -1852.397
where: short stacking energy: -766.051
Base-Backbone interact. energy: -0.661
local terms energy: -770.966714
where:
bonds (distance) C4'-P energy: -129.037
bonds (distance) P-C4' energy: -145.464
flat angles C4'-P-C4' energy: -162.300
flat angles P-C4'-P energy: -110.038
tors. eta vs tors. theta energy: -224.128
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: 4, replica: 8
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -2602.518750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.518750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.456356 (E_RNA)
where:
Base-Base interactions energy: -1832.832
where: short stacking energy: -760.113
Base-Backbone interact. energy: 5.553
local terms energy: -778.176911
where:
bonds (distance) C4'-P energy: -137.853
bonds (distance) P-C4' energy: -142.194
flat angles C4'-P-C4' energy: -162.829
flat angles P-C4'-P energy: -102.460
tors. eta vs tors. theta energy: -232.841
Dist. restrs. and SS energy: 2.938 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -2382.847813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.847813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.400652 (E_RNA)
where:
Base-Base interactions energy: -1674.291
where: short stacking energy: -677.946
Base-Backbone interact. energy: 3.571
local terms energy: -720.681102
where:
bonds (distance) C4'-P energy: -106.244
bonds (distance) P-C4' energy: -158.597
flat angles C4'-P-C4' energy: -151.276
flat angles P-C4'-P energy: -107.345
tors. eta vs tors. theta energy: -197.220
Dist. restrs. and SS energy: 8.553 (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: 5
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -2403.969769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.969769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.315716 (E_RNA)
where:
Base-Base interactions energy: -1725.363
where: short stacking energy: -699.500
Base-Backbone interact. energy: -3.042
local terms energy: -677.909970
where:
bonds (distance) C4'-P energy: -102.960
bonds (distance) P-C4' energy: -120.912
flat angles C4'-P-C4' energy: -154.767
flat angles P-C4'-P energy: -91.338
tors. eta vs tors. theta energy: -207.934
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: 7, replica: 1
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -2302.820020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.820020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.914104 (E_RNA)
where:
Base-Base interactions energy: -1643.018
where: short stacking energy: -697.296
Base-Backbone interact. energy: -1.472
local terms energy: -673.424102
where:
bonds (distance) C4'-P energy: -117.269
bonds (distance) P-C4' energy: -115.408
flat angles C4'-P-C4' energy: -135.102
flat angles P-C4'-P energy: -101.464
tors. eta vs tors. theta energy: -204.181
Dist. restrs. and SS energy: 15.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -2168.676157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.676157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.629348 (E_RNA)
where:
Base-Base interactions energy: -1523.309
where: short stacking energy: -655.281
Base-Backbone interact. energy: -0.382
local terms energy: -652.938130
where:
bonds (distance) C4'-P energy: -114.578
bonds (distance) P-C4' energy: -123.857
flat angles C4'-P-C4' energy: -141.145
flat angles P-C4'-P energy: -77.446
tors. eta vs tors. theta energy: -195.912
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: 9, replica: 9
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -2083.697887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.697887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.668851 (E_RNA)
where:
Base-Base interactions energy: -1490.693
where: short stacking energy: -618.447
Base-Backbone interact. energy: 5.025
local terms energy: -609.001249
where:
bonds (distance) C4'-P energy: -107.619
bonds (distance) P-C4' energy: -102.960
flat angles C4'-P-C4' energy: -122.680
flat angles P-C4'-P energy: -93.187
tors. eta vs tors. theta energy: -182.556
Dist. restrs. and SS energy: 10.971 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -1996.657874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.657874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.738163 (E_RNA)
where:
Base-Base interactions energy: -1439.025
where: short stacking energy: -588.392
Base-Backbone interact. energy: 4.117
local terms energy: -579.829702
where:
bonds (distance) C4'-P energy: -110.814
bonds (distance) P-C4' energy: -117.968
flat angles C4'-P-C4' energy: -109.503
flat angles P-C4'-P energy: -80.699
tors. eta vs tors. theta energy: -160.845
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: 1, replica: 3
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -2793.081135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.081135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.591027 (E_RNA)
where:
Base-Base interactions energy: -1962.115
where: short stacking energy: -822.692
Base-Backbone interact. energy: -4.031
local terms energy: -830.445310
where:
bonds (distance) C4'-P energy: -158.256
bonds (distance) P-C4' energy: -141.088
flat angles C4'-P-C4' energy: -170.115
flat angles P-C4'-P energy: -119.193
tors. eta vs tors. theta energy: -241.793
Dist. restrs. and SS energy: 3.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -2727.656796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.656796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.126157 (E_RNA)
where:
Base-Base interactions energy: -1914.529
where: short stacking energy: -839.662
Base-Backbone interact. energy: -0.034
local terms energy: -816.563016
where:
bonds (distance) C4'-P energy: -136.549
bonds (distance) P-C4' energy: -139.756
flat angles C4'-P-C4' energy: -176.501
flat angles P-C4'-P energy: -112.903
tors. eta vs tors. theta energy: -250.854
Dist. restrs. and SS energy: 3.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -2573.420360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.420360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.871783 (E_RNA)
where:
Base-Base interactions energy: -1777.647
where: short stacking energy: -762.158
Base-Backbone interact. energy: -2.721
local terms energy: -795.504242
where:
bonds (distance) C4'-P energy: -147.461
bonds (distance) P-C4' energy: -151.404
flat angles C4'-P-C4' energy: -165.506
flat angles P-C4'-P energy: -109.313
tors. eta vs tors. theta energy: -221.821
Dist. restrs. and SS energy: 2.451 (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: 8
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -2577.319086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.319086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.203736 (E_RNA)
where:
Base-Base interactions energy: -1854.188
where: short stacking energy: -756.709
Base-Backbone interact. energy: 1.624
local terms energy: -728.640054
where:
bonds (distance) C4'-P energy: -105.002
bonds (distance) P-C4' energy: -123.743
flat angles C4'-P-C4' energy: -152.184
flat angles P-C4'-P energy: -114.046
tors. eta vs tors. theta energy: -233.665
Dist. restrs. and SS energy: 3.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -2432.904370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.904370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.557081 (E_RNA)
where:
Base-Base interactions energy: -1726.111
where: short stacking energy: -704.595
Base-Backbone interact. energy: 1.121
local terms energy: -712.566990
where:
bonds (distance) C4'-P energy: -119.751
bonds (distance) P-C4' energy: -131.971
flat angles C4'-P-C4' energy: -155.924
flat angles P-C4'-P energy: -97.012
tors. eta vs tors. theta energy: -207.909
Dist. restrs. and SS energy: 4.653 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -2392.318862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.318862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.498829 (E_RNA)
where:
Base-Base interactions energy: -1704.177
where: short stacking energy: -693.104
Base-Backbone interact. energy: -1.307
local terms energy: -692.014239
where:
bonds (distance) C4'-P energy: -127.822
bonds (distance) P-C4' energy: -117.221
flat angles C4'-P-C4' energy: -144.075
flat angles P-C4'-P energy: -98.487
tors. eta vs tors. theta energy: -204.409
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: 7, replica: 1
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -2272.306166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.306166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.527756 (E_RNA)
where:
Base-Base interactions energy: -1604.130
where: short stacking energy: -675.145
Base-Backbone interact. energy: -1.631
local terms energy: -673.767017
where:
bonds (distance) C4'-P energy: -129.170
bonds (distance) P-C4' energy: -134.173
flat angles C4'-P-C4' energy: -146.382
flat angles P-C4'-P energy: -79.544
tors. eta vs tors. theta energy: -184.498
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: 8, replica: 4
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -2162.567461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.567461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.767720 (E_RNA)
where:
Base-Base interactions energy: -1503.392
where: short stacking energy: -624.643
Base-Backbone interact. energy: 2.001
local terms energy: -673.376635
where:
bonds (distance) C4'-P energy: -125.838
bonds (distance) P-C4' energy: -120.795
flat angles C4'-P-C4' energy: -143.863
flat angles P-C4'-P energy: -98.278
tors. eta vs tors. theta energy: -184.603
Dist. restrs. and SS energy: 12.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -2077.517176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.517176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.175743 (E_RNA)
where:
Base-Base interactions energy: -1456.218
where: short stacking energy: -620.029
Base-Backbone interact. energy: 0.362
local terms energy: -639.319829
where:
bonds (distance) C4'-P energy: -118.883
bonds (distance) P-C4' energy: -105.999
flat angles C4'-P-C4' energy: -137.130
flat angles P-C4'-P energy: -95.569
tors. eta vs tors. theta energy: -181.738
Dist. restrs. and SS energy: 17.659 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -1939.649567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.649567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.677434 (E_RNA)
where:
Base-Base interactions energy: -1364.408
where: short stacking energy: -565.316
Base-Backbone interact. energy: 2.671
local terms energy: -597.940275
where:
bonds (distance) C4'-P energy: -113.924
bonds (distance) P-C4' energy: -113.070
flat angles C4'-P-C4' energy: -124.764
flat angles P-C4'-P energy: -96.122
tors. eta vs tors. theta energy: -150.061
Dist. restrs. and SS energy: 20.028 (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: 3
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -2787.016595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.016595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.558813 (E_RNA)
where:
Base-Base interactions energy: -1964.755
where: short stacking energy: -797.331
Base-Backbone interact. energy: -7.370
local terms energy: -818.433707
where:
bonds (distance) C4'-P energy: -129.314
bonds (distance) P-C4' energy: -158.155
flat angles C4'-P-C4' energy: -172.140
flat angles P-C4'-P energy: -125.076
tors. eta vs tors. theta energy: -233.748
Dist. restrs. and SS energy: 3.542 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -2717.208624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.208624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.749405 (E_RNA)
where:
Base-Base interactions energy: -1902.033
where: short stacking energy: -825.256
Base-Backbone interact. energy: -0.525
local terms energy: -819.192044
where:
bonds (distance) C4'-P energy: -158.346
bonds (distance) P-C4' energy: -137.914
flat angles C4'-P-C4' energy: -160.989
flat angles P-C4'-P energy: -110.344
tors. eta vs tors. theta energy: -251.599
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: 2
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -2577.861257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.861257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.312179 (E_RNA)
where:
Base-Base interactions energy: -1812.623
where: short stacking energy: -758.333
Base-Backbone interact. energy: -2.483
local terms energy: -767.206005
where:
bonds (distance) C4'-P energy: -138.964
bonds (distance) P-C4' energy: -127.345
flat angles C4'-P-C4' energy: -153.540
flat angles P-C4'-P energy: -110.737
tors. eta vs tors. theta energy: -236.620
Dist. restrs. and SS energy: 4.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -2600.027568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.027568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.382428 (E_RNA)
where:
Base-Base interactions energy: -1841.763
where: short stacking energy: -776.184
Base-Backbone interact. energy: -0.384
local terms energy: -761.235473
where:
bonds (distance) C4'-P energy: -115.083
bonds (distance) P-C4' energy: -138.083
flat angles C4'-P-C4' energy: -167.774
flat angles P-C4'-P energy: -108.656
tors. eta vs tors. theta energy: -231.640
Dist. restrs. and SS energy: 3.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -2404.848972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.848972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.954822 (E_RNA)
where:
Base-Base interactions energy: -1681.485
where: short stacking energy: -695.666
Base-Backbone interact. energy: -5.014
local terms energy: -728.455490
where:
bonds (distance) C4'-P energy: -133.192
bonds (distance) P-C4' energy: -132.563
flat angles C4'-P-C4' energy: -156.176
flat angles P-C4'-P energy: -94.761
tors. eta vs tors. theta energy: -211.763
Dist. restrs. and SS energy: 10.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -2378.148425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.148425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.359004 (E_RNA)
where:
Base-Base interactions energy: -1683.865
where: short stacking energy: -675.108
Base-Backbone interact. energy: -2.659
local terms energy: -696.835583
where:
bonds (distance) C4'-P energy: -128.557
bonds (distance) P-C4' energy: -129.260
flat angles C4'-P-C4' energy: -142.137
flat angles P-C4'-P energy: -99.417
tors. eta vs tors. theta energy: -197.465
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: 7, replica: 1
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -2244.835977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.835977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.462547 (E_RNA)
where:
Base-Base interactions energy: -1594.718
where: short stacking energy: -668.982
Base-Backbone interact. energy: -3.508
local terms energy: -654.236643
where:
bonds (distance) C4'-P energy: -107.818
bonds (distance) P-C4' energy: -142.282
flat angles C4'-P-C4' energy: -140.351
flat angles P-C4'-P energy: -87.416
tors. eta vs tors. theta energy: -176.369
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: 8, replica: 4
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -2150.400860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.400860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.154866 (E_RNA)
where:
Base-Base interactions energy: -1539.860
where: short stacking energy: -643.011
Base-Backbone interact. energy: -1.993
local terms energy: -620.301716
where:
bonds (distance) C4'-P energy: -107.738
bonds (distance) P-C4' energy: -110.117
flat angles C4'-P-C4' energy: -139.572
flat angles P-C4'-P energy: -87.447
tors. eta vs tors. theta energy: -175.428
Dist. restrs. and SS energy: 11.754 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -2096.992580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.992580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.930387 (E_RNA)
where:
Base-Base interactions energy: -1469.973
where: short stacking energy: -612.136
Base-Backbone interact. energy: -1.567
local terms energy: -638.389964
where:
bonds (distance) C4'-P energy: -117.153
bonds (distance) P-C4' energy: -120.369
flat angles C4'-P-C4' energy: -131.564
flat angles P-C4'-P energy: -85.844
tors. eta vs tors. theta energy: -183.460
Dist. restrs. and SS energy: 12.938 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -1925.738132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.738132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.217098 (E_RNA)
where:
Base-Base interactions energy: -1379.125
where: short stacking energy: -575.157
Base-Backbone interact. energy: 6.206
local terms energy: -578.298110
where:
bonds (distance) C4'-P energy: -102.011
bonds (distance) P-C4' energy: -114.793
flat angles C4'-P-C4' energy: -123.129
flat angles P-C4'-P energy: -79.371
tors. eta vs tors. theta energy: -158.994
Dist. restrs. and SS energy: 25.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -2792.074704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2792.074704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.167802 (E_RNA)
where:
Base-Base interactions energy: -1934.065
where: short stacking energy: -806.669
Base-Backbone interact. energy: -4.837
local terms energy: -859.265829
where:
bonds (distance) C4'-P energy: -148.207
bonds (distance) P-C4' energy: -155.762
flat angles C4'-P-C4' energy: -177.439
flat angles P-C4'-P energy: -123.791
tors. eta vs tors. theta energy: -254.067
Dist. restrs. and SS energy: 6.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -2745.250385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.250385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.677588 (E_RNA)
where:
Base-Base interactions energy: -1906.618
where: short stacking energy: -821.201
Base-Backbone interact. energy: -2.153
local terms energy: -838.906621
where:
bonds (distance) C4'-P energy: -142.577
bonds (distance) P-C4' energy: -151.726
flat angles C4'-P-C4' energy: -174.586
flat angles P-C4'-P energy: -119.830
tors. eta vs tors. theta energy: -250.189
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: 3, replica: 2
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -2608.359078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.359078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.583803 (E_RNA)
where:
Base-Base interactions energy: -1847.713
where: short stacking energy: -766.471
Base-Backbone interact. energy: -1.901
local terms energy: -762.969169
where:
bonds (distance) C4'-P energy: -125.148
bonds (distance) P-C4' energy: -131.115
flat angles C4'-P-C4' energy: -162.145
flat angles P-C4'-P energy: -111.005
tors. eta vs tors. theta energy: -233.555
Dist. restrs. and SS energy: 4.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -2599.612161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.612161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.523807 (E_RNA)
where:
Base-Base interactions energy: -1836.812
where: short stacking energy: -765.703
Base-Backbone interact. energy: -0.251
local terms energy: -768.460288
where:
bonds (distance) C4'-P energy: -145.725
bonds (distance) P-C4' energy: -126.408
flat angles C4'-P-C4' energy: -154.642
flat angles P-C4'-P energy: -112.093
tors. eta vs tors. theta energy: -229.593
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: 5, replica: 6
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -2426.333897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.333897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.658800 (E_RNA)
where:
Base-Base interactions energy: -1716.357
where: short stacking energy: -725.492
Base-Backbone interact. energy: -4.968
local terms energy: -707.333766
where:
bonds (distance) C4'-P energy: -128.134
bonds (distance) P-C4' energy: -130.263
flat angles C4'-P-C4' energy: -140.793
flat angles P-C4'-P energy: -91.981
tors. eta vs tors. theta energy: -216.163
Dist. restrs. and SS energy: 2.325 (S_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: 435
Temperature: 1.150000
Total energy: -2362.400070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.400070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.899633 (E_RNA)
where:
Base-Base interactions energy: -1670.249
where: short stacking energy: -694.359
Base-Backbone interact. energy: -1.469
local terms energy: -695.181487
where:
bonds (distance) C4'-P energy: -125.928
bonds (distance) P-C4' energy: -127.845
flat angles C4'-P-C4' energy: -138.183
flat angles P-C4'-P energy: -88.910
tors. eta vs tors. theta energy: -214.316
Dist. restrs. and SS energy: 4.500 (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: 435
Temperature: 1.200000
Total energy: -2303.417384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.417384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.538252 (E_RNA)
where:
Base-Base interactions energy: -1618.383
where: short stacking energy: -675.455
Base-Backbone interact. energy: -2.355
local terms energy: -692.799946
where:
bonds (distance) C4'-P energy: -125.665
bonds (distance) P-C4' energy: -122.398
flat angles C4'-P-C4' energy: -146.350
flat angles P-C4'-P energy: -82.752
tors. eta vs tors. theta energy: -215.636
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: 4
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -2192.114886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.114886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.077544 (E_RNA)
where:
Base-Base interactions energy: -1561.943
where: short stacking energy: -639.420
Base-Backbone interact. energy: 1.955
local terms energy: -644.090129
where:
bonds (distance) C4'-P energy: -110.610
bonds (distance) P-C4' energy: -116.272
flat angles C4'-P-C4' energy: -144.297
flat angles P-C4'-P energy: -88.702
tors. eta vs tors. theta energy: -184.209
Dist. restrs. and SS energy: 11.963 (S_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: 435
Temperature: 1.300000
Total energy: -2114.044869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.044869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.506733 (E_RNA)
where:
Base-Base interactions energy: -1476.270
where: short stacking energy: -614.457
Base-Backbone interact. energy: -0.459
local terms energy: -654.777555
where:
bonds (distance) C4'-P energy: -120.914
bonds (distance) P-C4' energy: -126.222
flat angles C4'-P-C4' energy: -124.062
flat angles P-C4'-P energy: -102.070
tors. eta vs tors. theta energy: -181.509
Dist. restrs. and SS energy: 17.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -1969.069736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.069736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.743598 (E_RNA)
where:
Base-Base interactions energy: -1408.895
where: short stacking energy: -614.828
Base-Backbone interact. energy: 2.981
local terms energy: -586.829638
where:
bonds (distance) C4'-P energy: -92.650
bonds (distance) P-C4' energy: -109.634
flat angles C4'-P-C4' energy: -133.374
flat angles P-C4'-P energy: -66.029
tors. eta vs tors. theta energy: -185.143
Dist. restrs. and SS energy: 23.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -2799.802751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.802751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.459114 (E_RNA)
where:
Base-Base interactions energy: -1977.151
where: short stacking energy: -818.667
Base-Backbone interact. energy: 0.753
local terms energy: -828.060726
where:
bonds (distance) C4'-P energy: -135.044
bonds (distance) P-C4' energy: -165.536
flat angles C4'-P-C4' energy: -163.403
flat angles P-C4'-P energy: -125.747
tors. eta vs tors. theta energy: -238.331
Dist. restrs. and SS energy: 4.656 (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: 10
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -2727.980860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.980860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.639168 (E_RNA)
where:
Base-Base interactions energy: -1904.286
where: short stacking energy: -809.650
Base-Backbone interact. energy: 1.119
local terms energy: -828.471864
where:
bonds (distance) C4'-P energy: -151.280
bonds (distance) P-C4' energy: -139.569
flat angles C4'-P-C4' energy: -158.526
flat angles P-C4'-P energy: -122.416
tors. eta vs tors. theta energy: -256.682
Dist. restrs. and SS energy: 3.658 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -2621.908528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.908528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.740163 (E_RNA)
where:
Base-Base interactions energy: -1814.822
where: short stacking energy: -783.345
Base-Backbone interact. energy: -3.045
local terms energy: -810.873576
where:
bonds (distance) C4'-P energy: -138.214
bonds (distance) P-C4' energy: -142.415
flat angles C4'-P-C4' energy: -172.170
flat angles P-C4'-P energy: -113.673
tors. eta vs tors. theta energy: -244.401
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: 4, replica: 8
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -2588.821012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.821012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.910172 (E_RNA)
where:
Base-Base interactions energy: -1812.023
where: short stacking energy: -762.413
Base-Backbone interact. energy: -2.467
local terms energy: -779.420664
where:
bonds (distance) C4'-P energy: -129.036
bonds (distance) P-C4' energy: -146.584
flat angles C4'-P-C4' energy: -161.923
flat angles P-C4'-P energy: -104.941
tors. eta vs tors. theta energy: -236.937
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: 5, replica: 6
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -2399.226717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.226717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.816169 (E_RNA)
where:
Base-Base interactions energy: -1687.763
where: short stacking energy: -702.089
Base-Backbone interact. energy: 1.270
local terms energy: -717.323048
where:
bonds (distance) C4'-P energy: -131.903
bonds (distance) P-C4' energy: -128.653
flat angles C4'-P-C4' energy: -155.121
flat angles P-C4'-P energy: -100.469
tors. eta vs tors. theta energy: -201.177
Dist. restrs. and SS energy: 4.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -2362.425104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.425104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.214190 (E_RNA)
where:
Base-Base interactions energy: -1670.360
where: short stacking energy: -711.990
Base-Backbone interact. energy: -2.817
local terms energy: -695.037397
where:
bonds (distance) C4'-P energy: -121.338
bonds (distance) P-C4' energy: -114.544
flat angles C4'-P-C4' energy: -152.772
flat angles P-C4'-P energy: -96.363
tors. eta vs tors. theta energy: -210.021
Dist. restrs. and SS energy: 5.789 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -2311.441166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.441166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.764297 (E_RNA)
where:
Base-Base interactions energy: -1670.807
where: short stacking energy: -690.502
Base-Backbone interact. energy: -3.360
local terms energy: -644.598048
where:
bonds (distance) C4'-P energy: -109.680
bonds (distance) P-C4' energy: -105.939
flat angles C4'-P-C4' energy: -145.658
flat angles P-C4'-P energy: -88.439
tors. eta vs tors. theta energy: -194.882
Dist. restrs. and SS energy: 7.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -2115.565994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.565994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.784674 (E_RNA)
where:
Base-Base interactions energy: -1467.415
where: short stacking energy: -598.954
Base-Backbone interact. energy: -1.642
local terms energy: -657.726994
where:
bonds (distance) C4'-P energy: -109.399
bonds (distance) P-C4' energy: -115.608
flat angles C4'-P-C4' energy: -162.155
flat angles P-C4'-P energy: -99.576
tors. eta vs tors. theta energy: -170.988
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: 9, replica: 7
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -2005.829613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.829613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.174179 (E_RNA)
where:
Base-Base interactions energy: -1418.709
where: short stacking energy: -589.860
Base-Backbone interact. energy: 2.052
local terms energy: -617.516432
where:
bonds (distance) C4'-P energy: -119.941
bonds (distance) P-C4' energy: -101.046
flat angles C4'-P-C4' energy: -132.802
flat angles P-C4'-P energy: -79.999
tors. eta vs tors. theta energy: -183.727
Dist. restrs. and SS energy: 28.345 (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: 9
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -2028.770539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.770539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.710230 (E_RNA)
where:
Base-Base interactions energy: -1446.275
where: short stacking energy: -614.158
Base-Backbone interact. energy: -0.120
local terms energy: -606.315012
where:
bonds (distance) C4'-P energy: -112.235
bonds (distance) P-C4' energy: -99.992
flat angles C4'-P-C4' energy: -134.349
flat angles P-C4'-P energy: -77.200
tors. eta vs tors. theta energy: -182.539
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: 3
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -2806.885579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.885579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.887908 (E_RNA)
where:
Base-Base interactions energy: -1985.931
where: short stacking energy: -794.817
Base-Backbone interact. energy: 3.140
local terms energy: -827.097324
where:
bonds (distance) C4'-P energy: -141.036
bonds (distance) P-C4' energy: -140.498
flat angles C4'-P-C4' energy: -177.623
flat angles P-C4'-P energy: -121.705
tors. eta vs tors. theta energy: -246.236
Dist. restrs. and SS energy: 3.002 (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: 437
Temperature: 0.950000
Total energy: -2722.588732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.588732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.916097 (E_RNA)
where:
Base-Base interactions energy: -1918.806
where: short stacking energy: -828.755
Base-Backbone interact. energy: -0.834
local terms energy: -807.276450
where:
bonds (distance) C4'-P energy: -140.376
bonds (distance) P-C4' energy: -134.088
flat angles C4'-P-C4' energy: -163.065
flat angles P-C4'-P energy: -109.706
tors. eta vs tors. theta energy: -260.041
Dist. restrs. and SS energy: 4.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -2607.632647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.632647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.818968 (E_RNA)
where:
Base-Base interactions energy: -1813.164
where: short stacking energy: -763.356
Base-Backbone interact. energy: 0.590
local terms energy: -799.244871
where:
bonds (distance) C4'-P energy: -136.531
bonds (distance) P-C4' energy: -150.899
flat angles C4'-P-C4' energy: -160.711
flat angles P-C4'-P energy: -114.830
tors. eta vs tors. theta energy: -236.275
Dist. restrs. and SS energy: 4.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -2601.271425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.271425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.510207 (E_RNA)
where:
Base-Base interactions energy: -1812.655
where: short stacking energy: -773.122
Base-Backbone interact. energy: -3.761
local terms energy: -788.094544
where:
bonds (distance) C4'-P energy: -132.338
bonds (distance) P-C4' energy: -136.477
flat angles C4'-P-C4' energy: -167.326
flat angles P-C4'-P energy: -110.486
tors. eta vs tors. theta energy: -241.468
Dist. restrs. and SS energy: 3.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -2417.564526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.564526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.543289 (E_RNA)
where:
Base-Base interactions energy: -1695.187
where: short stacking energy: -713.104
Base-Backbone interact. energy: -1.357
local terms energy: -724.999034
where:
bonds (distance) C4'-P energy: -127.343
bonds (distance) P-C4' energy: -139.168
flat angles C4'-P-C4' energy: -142.928
flat angles P-C4'-P energy: -110.902
tors. eta vs tors. theta energy: -204.658
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: 6, replica: 5
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -2347.499661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.499661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.535714 (E_RNA)
where:
Base-Base interactions energy: -1663.754
where: short stacking energy: -683.916
Base-Backbone interact. energy: -2.831
local terms energy: -687.950462
where:
bonds (distance) C4'-P energy: -130.734
bonds (distance) P-C4' energy: -127.359
flat angles C4'-P-C4' energy: -140.532
flat angles P-C4'-P energy: -98.307
tors. eta vs tors. theta energy: -191.019
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: 7, replica: 1
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -2286.037558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.037558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.066371 (E_RNA)
where:
Base-Base interactions energy: -1638.892
where: short stacking energy: -697.936
Base-Backbone interact. energy: -2.777
local terms energy: -653.397316
where:
bonds (distance) C4'-P energy: -115.943
bonds (distance) P-C4' energy: -108.889
flat angles C4'-P-C4' energy: -149.394
flat angles P-C4'-P energy: -81.611
tors. eta vs tors. theta energy: -197.560
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: 8, replica: 4
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -2198.530309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.530309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.724778 (E_RNA)
where:
Base-Base interactions energy: -1559.129
where: short stacking energy: -653.237
Base-Backbone interact. energy: -3.486
local terms energy: -645.109971
where:
bonds (distance) C4'-P energy: -101.423
bonds (distance) P-C4' energy: -126.420
flat angles C4'-P-C4' energy: -151.190
flat angles P-C4'-P energy: -70.471
tors. eta vs tors. theta energy: -195.606
Dist. restrs. and SS energy: 9.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -2012.798268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.798268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.240589 (E_RNA)
where:
Base-Base interactions energy: -1443.887
where: short stacking energy: -595.214
Base-Backbone interact. energy: -0.007
local terms energy: -587.346744
where:
bonds (distance) C4'-P energy: -107.962
bonds (distance) P-C4' energy: -118.644
flat angles C4'-P-C4' energy: -126.456
flat angles P-C4'-P energy: -66.306
tors. eta vs tors. theta energy: -167.979
Dist. restrs. and SS energy: 18.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -1970.486798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.486798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.855300 (E_RNA)
where:
Base-Base interactions energy: -1402.038
where: short stacking energy: -570.218
Base-Backbone interact. energy: -1.813
local terms energy: -584.004469
where:
bonds (distance) C4'-P energy: -109.918
bonds (distance) P-C4' energy: -105.683
flat angles C4'-P-C4' energy: -128.264
flat angles P-C4'-P energy: -82.376
tors. eta vs tors. theta energy: -157.763
Dist. restrs. and SS energy: 17.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -2786.387893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.387893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.376379 (E_RNA)
where:
Base-Base interactions energy: -1951.378
where: short stacking energy: -803.949
Base-Backbone interact. energy: -3.634
local terms energy: -834.365072
where:
bonds (distance) C4'-P energy: -138.308
bonds (distance) P-C4' energy: -143.770
flat angles C4'-P-C4' energy: -182.190
flat angles P-C4'-P energy: -122.901
tors. eta vs tors. theta energy: -247.197
Dist. restrs. and SS energy: 2.988 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -2708.426989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.426989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.896400 (E_RNA)
where:
Base-Base interactions energy: -1888.910
where: short stacking energy: -793.987
Base-Backbone interact. energy: -1.917
local terms energy: -822.069288
where:
bonds (distance) C4'-P energy: -152.366
bonds (distance) P-C4' energy: -143.603
flat angles C4'-P-C4' energy: -174.514
flat angles P-C4'-P energy: -98.958
tors. eta vs tors. theta energy: -252.629
Dist. restrs. and SS energy: 4.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -2634.312065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.312065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.795974 (E_RNA)
where:
Base-Base interactions energy: -1841.093
where: short stacking energy: -775.624
Base-Backbone interact. energy: -5.020
local terms energy: -790.682293
where:
bonds (distance) C4'-P energy: -135.465
bonds (distance) P-C4' energy: -145.498
flat angles C4'-P-C4' energy: -154.193
flat angles P-C4'-P energy: -113.441
tors. eta vs tors. theta energy: -242.085
Dist. restrs. and SS energy: 2.484 (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: 2
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -2545.073712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.073712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.807842 (E_RNA)
where:
Base-Base interactions energy: -1774.182
where: short stacking energy: -745.018
Base-Backbone interact. energy: 1.020
local terms energy: -776.646341
where:
bonds (distance) C4'-P energy: -140.123
bonds (distance) P-C4' energy: -141.174
flat angles C4'-P-C4' energy: -156.241
flat angles P-C4'-P energy: -110.222
tors. eta vs tors. theta energy: -228.887
Dist. restrs. and SS energy: 4.734 (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: 6
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -2419.858184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.858184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.515603 (E_RNA)
where:
Base-Base interactions energy: -1709.062
where: short stacking energy: -710.351
Base-Backbone interact. energy: 0.596
local terms energy: -714.049646
where:
bonds (distance) C4'-P energy: -116.254
bonds (distance) P-C4' energy: -140.451
flat angles C4'-P-C4' energy: -150.790
flat angles P-C4'-P energy: -110.748
tors. eta vs tors. theta energy: -195.807
Dist. restrs. and SS energy: 2.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -2326.350707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.350707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.315520 (E_RNA)
where:
Base-Base interactions energy: -1631.126
where: short stacking energy: -680.740
Base-Backbone interact. energy: -2.984
local terms energy: -700.205689
where:
bonds (distance) C4'-P energy: -114.865
bonds (distance) P-C4' energy: -145.178
flat angles C4'-P-C4' energy: -151.475
flat angles P-C4'-P energy: -92.629
tors. eta vs tors. theta energy: -196.059
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: 1
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -2315.077498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.077498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.670782 (E_RNA)
where:
Base-Base interactions energy: -1634.451
where: short stacking energy: -652.914
Base-Backbone interact. energy: -1.586
local terms energy: -688.633793
where:
bonds (distance) C4'-P energy: -124.259
bonds (distance) P-C4' energy: -109.598
flat angles C4'-P-C4' energy: -155.361
flat angles P-C4'-P energy: -94.520
tors. eta vs tors. theta energy: -204.896
Dist. restrs. and SS energy: 9.593 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -2199.846899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.846899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.571205 (E_RNA)
where:
Base-Base interactions energy: -1566.638
where: short stacking energy: -652.527
Base-Backbone interact. energy: -1.202
local terms energy: -641.730777
where:
bonds (distance) C4'-P energy: -123.634
bonds (distance) P-C4' energy: -115.780
flat angles C4'-P-C4' energy: -129.169
flat angles P-C4'-P energy: -89.376
tors. eta vs tors. theta energy: -183.771
Dist. restrs. and SS energy: 9.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -2059.440409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.440409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.277960 (E_RNA)
where:
Base-Base interactions energy: -1448.407
where: short stacking energy: -619.652
Base-Backbone interact. energy: -0.548
local terms energy: -633.322290
where:
bonds (distance) C4'-P energy: -136.457
bonds (distance) P-C4' energy: -95.724
flat angles C4'-P-C4' energy: -134.672
flat angles P-C4'-P energy: -91.248
tors. eta vs tors. theta energy: -175.221
Dist. restrs. and SS energy: 22.838 (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: 7
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -1946.789764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.789764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.704567 (E_RNA)
where:
Base-Base interactions energy: -1373.260
where: short stacking energy: -541.864
Base-Backbone interact. energy: -1.372
local terms energy: -597.072088
where:
bonds (distance) C4'-P energy: -115.960
bonds (distance) P-C4' energy: -124.446
flat angles C4'-P-C4' energy: -113.321
flat angles P-C4'-P energy: -89.040
tors. eta vs tors. theta energy: -154.305
Dist. restrs. and SS energy: 24.915 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -2787.265828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.265828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.991823 (E_RNA)
where:
Base-Base interactions energy: -1963.350
where: short stacking energy: -818.473
Base-Backbone interact. energy: -4.401
local terms energy: -822.240993
where:
bonds (distance) C4'-P energy: -136.991
bonds (distance) P-C4' energy: -142.940
flat angles C4'-P-C4' energy: -174.087
flat angles P-C4'-P energy: -117.968
tors. eta vs tors. theta energy: -250.255
Dist. restrs. and SS energy: 2.726 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -2713.383817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.383817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.391726 (E_RNA)
where:
Base-Base interactions energy: -1893.539
where: short stacking energy: -807.984
Base-Backbone interact. energy: -2.103
local terms energy: -824.750033
where:
bonds (distance) C4'-P energy: -136.076
bonds (distance) P-C4' energy: -153.389
flat angles C4'-P-C4' energy: -166.078
flat angles P-C4'-P energy: -122.934
tors. eta vs tors. theta energy: -246.274
Dist. restrs. and SS energy: 7.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -2617.159539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.159539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.534572 (E_RNA)
where:
Base-Base interactions energy: -1816.340
where: short stacking energy: -760.966
Base-Backbone interact. energy: -4.816
local terms energy: -798.377897
where:
bonds (distance) C4'-P energy: -139.404
bonds (distance) P-C4' energy: -137.095
flat angles C4'-P-C4' energy: -169.141
flat angles P-C4'-P energy: -118.749
tors. eta vs tors. theta energy: -233.988
Dist. restrs. and SS energy: 2.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -2560.368269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.368269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.161901 (E_RNA)
where:
Base-Base interactions energy: -1784.684
where: short stacking energy: -765.904
Base-Backbone interact. energy: -0.508
local terms energy: -781.970263
where:
bonds (distance) C4'-P energy: -128.708
bonds (distance) P-C4' energy: -144.604
flat angles C4'-P-C4' energy: -165.267
flat angles P-C4'-P energy: -108.119
tors. eta vs tors. theta energy: -235.272
Dist. restrs. and SS energy: 6.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -2416.737778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.737778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.570590 (E_RNA)
where:
Base-Base interactions energy: -1701.836
where: short stacking energy: -700.070
Base-Backbone interact. energy: 1.077
local terms energy: -718.811443
where:
bonds (distance) C4'-P energy: -132.938
bonds (distance) P-C4' energy: -123.636
flat angles C4'-P-C4' energy: -150.391
flat angles P-C4'-P energy: -111.185
tors. eta vs tors. theta energy: -200.661
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: 6, replica: 5
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -2358.157871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.157871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.005746 (E_RNA)
where:
Base-Base interactions energy: -1679.100
where: short stacking energy: -697.688
Base-Backbone interact. energy: -2.715
local terms energy: -682.191062
where:
bonds (distance) C4'-P energy: -101.262
bonds (distance) P-C4' energy: -127.687
flat angles C4'-P-C4' energy: -151.614
flat angles P-C4'-P energy: -99.286
tors. eta vs tors. theta energy: -202.342
Dist. restrs. and SS energy: 5.848 (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: 439
Temperature: 1.200000
Total energy: -2313.415031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.415031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.062316 (E_RNA)
where:
Base-Base interactions energy: -1647.986
where: short stacking energy: -669.644
Base-Backbone interact. energy: -1.384
local terms energy: -675.692104
where:
bonds (distance) C4'-P energy: -121.762
bonds (distance) P-C4' energy: -117.876
flat angles C4'-P-C4' energy: -147.491
flat angles P-C4'-P energy: -91.250
tors. eta vs tors. theta energy: -197.314
Dist. restrs. and SS energy: 11.647 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -2217.733076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.733076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.443037 (E_RNA)
where:
Base-Base interactions energy: -1563.314
where: short stacking energy: -610.095
Base-Backbone interact. energy: -1.554
local terms energy: -660.575474
where:
bonds (distance) C4'-P energy: -125.105
bonds (distance) P-C4' energy: -120.232
flat angles C4'-P-C4' energy: -151.933
flat angles P-C4'-P energy: -81.965
tors. eta vs tors. theta energy: -181.339
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: 9
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -2062.963298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.963298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.511071 (E_RNA)
where:
Base-Base interactions energy: -1449.789
where: short stacking energy: -624.026
Base-Backbone interact. energy: -5.765
local terms energy: -623.957447
where:
bonds (distance) C4'-P energy: -94.431
bonds (distance) P-C4' energy: -108.944
flat angles C4'-P-C4' energy: -137.733
flat angles P-C4'-P energy: -99.693
tors. eta vs tors. theta energy: -183.156
Dist. restrs. and SS energy: 16.548 (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: 7
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -1927.172601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.172601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.952778 (E_RNA)
where:
Base-Base interactions energy: -1391.040
where: short stacking energy: -576.537
Base-Backbone interact. energy: 3.656
local terms energy: -559.568115
where:
bonds (distance) C4'-P energy: -112.910
bonds (distance) P-C4' energy: -109.194
flat angles C4'-P-C4' energy: -116.923
flat angles P-C4'-P energy: -73.168
tors. eta vs tors. theta energy: -147.372
Dist. restrs. and SS energy: 19.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -2798.003982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.003982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.549465 (E_RNA)
where:
Base-Base interactions energy: -1998.498
where: short stacking energy: -854.174
Base-Backbone interact. energy: -1.908
local terms energy: -802.143555
where:
bonds (distance) C4'-P energy: -138.142
bonds (distance) P-C4' energy: -139.023
flat angles C4'-P-C4' energy: -162.105
flat angles P-C4'-P energy: -110.919
tors. eta vs tors. theta energy: -251.954
Dist. restrs. and SS energy: 4.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -2733.989123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.989123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.908543 (E_RNA)
where:
Base-Base interactions energy: -1902.877
where: short stacking energy: -816.338
Base-Backbone interact. energy: -3.774
local terms energy: -830.257501
where:
bonds (distance) C4'-P energy: -130.275
bonds (distance) P-C4' energy: -159.660
flat angles C4'-P-C4' energy: -176.793
flat angles P-C4'-P energy: -111.689
tors. eta vs tors. theta energy: -251.840
Dist. restrs. and SS energy: 2.919 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -2630.470553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.470553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.751666 (E_RNA)
where:
Base-Base interactions energy: -1853.397
where: short stacking energy: -774.960
Base-Backbone interact. energy: -2.578
local terms energy: -777.776968
where:
bonds (distance) C4'-P energy: -127.195
bonds (distance) P-C4' energy: -133.543
flat angles C4'-P-C4' energy: -170.471
flat angles P-C4'-P energy: -113.607
tors. eta vs tors. theta energy: -232.961
Dist. restrs. and SS energy: 3.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -2545.444036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.444036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.163789 (E_RNA)
where:
Base-Base interactions energy: -1771.198
where: short stacking energy: -741.881
Base-Backbone interact. energy: -2.607
local terms energy: -775.359622
where:
bonds (distance) C4'-P energy: -139.278
bonds (distance) P-C4' energy: -135.328
flat angles C4'-P-C4' energy: -163.010
flat angles P-C4'-P energy: -116.020
tors. eta vs tors. theta energy: -221.724
Dist. restrs. and SS energy: 3.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -2371.595555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.595555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.892580 (E_RNA)
where:
Base-Base interactions energy: -1681.656
where: short stacking energy: -696.637
Base-Backbone interact. energy: -4.836
local terms energy: -689.399856
where:
bonds (distance) C4'-P energy: -138.545
bonds (distance) P-C4' energy: -110.783
flat angles C4'-P-C4' energy: -156.273
flat angles P-C4'-P energy: -86.327
tors. eta vs tors. theta energy: -197.473
Dist. restrs. and SS energy: 4.297 (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: 5
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -2388.816400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.816400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.706659 (E_RNA)
where:
Base-Base interactions energy: -1702.427
where: short stacking energy: -737.213
Base-Backbone interact. energy: -2.425
local terms energy: -690.854581
where:
bonds (distance) C4'-P energy: -110.959
bonds (distance) P-C4' energy: -121.640
flat angles C4'-P-C4' energy: -157.204
flat angles P-C4'-P energy: -92.578
tors. eta vs tors. theta energy: -208.474
Dist. restrs. and SS energy: 6.890 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -2280.465209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.465209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.856607 (E_RNA)
where:
Base-Base interactions energy: -1602.636
where: short stacking energy: -673.259
Base-Backbone interact. energy: -2.178
local terms energy: -682.042650
where:
bonds (distance) C4'-P energy: -122.610
bonds (distance) P-C4' energy: -124.356
flat angles C4'-P-C4' energy: -144.062
flat angles P-C4'-P energy: -101.360
tors. eta vs tors. theta energy: -189.654
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: 8, replica: 4
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -2218.214598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.214598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.782364 (E_RNA)
where:
Base-Base interactions energy: -1588.988
where: short stacking energy: -662.017
Base-Backbone interact. energy: 2.051
local terms energy: -640.845352
where:
bonds (distance) C4'-P energy: -96.773
bonds (distance) P-C4' energy: -134.362
flat angles C4'-P-C4' energy: -132.463
flat angles P-C4'-P energy: -85.928
tors. eta vs tors. theta energy: -191.318
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: 9, replica: 9
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -2052.459438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.459438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.289883 (E_RNA)
where:
Base-Base interactions energy: -1449.805
where: short stacking energy: -610.165
Base-Backbone interact. energy: 0.787
local terms energy: -626.271712
where:
bonds (distance) C4'-P energy: -109.661
bonds (distance) P-C4' energy: -115.985
flat angles C4'-P-C4' energy: -130.825
flat angles P-C4'-P energy: -92.604
tors. eta vs tors. theta energy: -177.197
Dist. restrs. and SS energy: 22.830 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -1926.264197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.264197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.247015 (E_RNA)
where:
Base-Base interactions energy: -1355.877
where: short stacking energy: -547.757
Base-Backbone interact. energy: 1.050
local terms energy: -586.420823
where:
bonds (distance) C4'-P energy: -102.445
bonds (distance) P-C4' energy: -115.012
flat angles C4'-P-C4' energy: -133.961
flat angles P-C4'-P energy: -88.438
tors. eta vs tors. theta energy: -146.565
Dist. restrs. and SS energy: 14.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -2798.353969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.353969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.118070 (E_RNA)
where:
Base-Base interactions energy: -1958.891
where: short stacking energy: -806.777
Base-Backbone interact. energy: -1.556
local terms energy: -841.670790
where:
bonds (distance) C4'-P energy: -146.812
bonds (distance) P-C4' energy: -144.445
flat angles C4'-P-C4' energy: -176.314
flat angles P-C4'-P energy: -120.176
tors. eta vs tors. theta energy: -253.923
Dist. restrs. and SS energy: 3.764 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -2745.717494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.717494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.955738 (E_RNA)
where:
Base-Base interactions energy: -1946.135
where: short stacking energy: -839.882
Base-Backbone interact. energy: 1.782
local terms energy: -804.602303
where:
bonds (distance) C4'-P energy: -122.183
bonds (distance) P-C4' energy: -132.436
flat angles C4'-P-C4' energy: -175.045
flat angles P-C4'-P energy: -111.409
tors. eta vs tors. theta energy: -263.529
Dist. restrs. and SS energy: 3.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -2637.093455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.093455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.701609 (E_RNA)
where:
Base-Base interactions energy: -1862.790
where: short stacking energy: -799.112
Base-Backbone interact. energy: -2.589
local terms energy: -774.322377
where:
bonds (distance) C4'-P energy: -118.308
bonds (distance) P-C4' energy: -140.944
flat angles C4'-P-C4' energy: -171.145
flat angles P-C4'-P energy: -107.219
tors. eta vs tors. theta energy: -236.706
Dist. restrs. and SS energy: 2.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -2557.964231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.964231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.797994 (E_RNA)
where:
Base-Base interactions energy: -1798.329
where: short stacking energy: -772.899
Base-Backbone interact. energy: -2.859
local terms energy: -760.610188
where:
bonds (distance) C4'-P energy: -117.501
bonds (distance) P-C4' energy: -149.823
flat angles C4'-P-C4' energy: -158.109
flat angles P-C4'-P energy: -100.097
tors. eta vs tors. theta energy: -235.079
Dist. restrs. and SS energy: 3.834 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -2404.227359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.227359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.433615 (E_RNA)
where:
Base-Base interactions energy: -1685.356
where: short stacking energy: -700.961
Base-Backbone interact. energy: -3.368
local terms energy: -718.708807
where:
bonds (distance) C4'-P energy: -125.112
bonds (distance) P-C4' energy: -124.649
flat angles C4'-P-C4' energy: -154.328
flat angles P-C4'-P energy: -108.020
tors. eta vs tors. theta energy: -206.600
Dist. restrs. and SS energy: 3.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -2356.121885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.121885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.540672 (E_RNA)
where:
Base-Base interactions energy: -1657.420
where: short stacking energy: -713.276
Base-Backbone interact. energy: 0.826
local terms energy: -709.946935
where:
bonds (distance) C4'-P energy: -130.679
bonds (distance) P-C4' energy: -124.863
flat angles C4'-P-C4' energy: -149.106
flat angles P-C4'-P energy: -101.287
tors. eta vs tors. theta energy: -204.012
Dist. restrs. and SS energy: 10.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -2251.326561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.326561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.000125 (E_RNA)
where:
Base-Base interactions energy: -1624.080
where: short stacking energy: -680.261
Base-Backbone interact. energy: -3.256
local terms energy: -635.664484
where:
bonds (distance) C4'-P energy: -111.629
bonds (distance) P-C4' energy: -121.384
flat angles C4'-P-C4' energy: -139.384
flat angles P-C4'-P energy: -58.770
tors. eta vs tors. theta energy: -204.498
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: 8, replica: 4
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -2201.372558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.372558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.637836 (E_RNA)
where:
Base-Base interactions energy: -1570.976
where: short stacking energy: -648.352
Base-Backbone interact. energy: 1.459
local terms energy: -646.121171
where:
bonds (distance) C4'-P energy: -105.688
bonds (distance) P-C4' energy: -105.027
flat angles C4'-P-C4' energy: -151.474
flat angles P-C4'-P energy: -98.213
tors. eta vs tors. theta energy: -185.720
Dist. restrs. and SS energy: 14.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -2077.034072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.034072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.694084 (E_RNA)
where:
Base-Base interactions energy: -1456.823
where: short stacking energy: -617.743
Base-Backbone interact. energy: -0.082
local terms energy: -636.789444
where:
bonds (distance) C4'-P energy: -107.364
bonds (distance) P-C4' energy: -126.281
flat angles C4'-P-C4' energy: -126.924
flat angles P-C4'-P energy: -80.627
tors. eta vs tors. theta energy: -195.594
Dist. restrs. and SS energy: 16.660 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -1946.848673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.848673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.579614 (E_RNA)
where:
Base-Base interactions energy: -1409.973
where: short stacking energy: -584.906
Base-Backbone interact. energy: 3.851
local terms energy: -554.458104
where:
bonds (distance) C4'-P energy: -83.964
bonds (distance) P-C4' energy: -112.790
flat angles C4'-P-C4' energy: -109.999
flat angles P-C4'-P energy: -87.571
tors. eta vs tors. theta energy: -160.135
Dist. restrs. and SS energy: 13.731 (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: 3
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -2812.217707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.217707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2816.552776 (E_RNA)
where:
Base-Base interactions energy: -1969.837
where: short stacking energy: -838.640
Base-Backbone interact. energy: -3.877
local terms energy: -842.839009
where:
bonds (distance) C4'-P energy: -153.214
bonds (distance) P-C4' energy: -147.762
flat angles C4'-P-C4' energy: -169.737
flat angles P-C4'-P energy: -121.449
tors. eta vs tors. theta energy: -250.677
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: 2, replica: 10
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -2722.034575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.034575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.979537 (E_RNA)
where:
Base-Base interactions energy: -1898.891
where: short stacking energy: -806.289
Base-Backbone interact. energy: -2.261
local terms energy: -823.827385
where:
bonds (distance) C4'-P energy: -145.034
bonds (distance) P-C4' energy: -134.414
flat angles C4'-P-C4' energy: -172.244
flat angles P-C4'-P energy: -118.990
tors. eta vs tors. theta energy: -253.145
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: 3, replica: 8
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -2642.980968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.980968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.636887 (E_RNA)
where:
Base-Base interactions energy: -1863.698
where: short stacking energy: -794.814
Base-Backbone interact. energy: -3.409
local terms energy: -780.529666
where:
bonds (distance) C4'-P energy: -118.220
bonds (distance) P-C4' energy: -142.042
flat angles C4'-P-C4' energy: -166.597
flat angles P-C4'-P energy: -118.878
tors. eta vs tors. theta energy: -234.793
Dist. restrs. and SS energy: 4.656 (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: 2
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -2573.348220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.348220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.715840 (E_RNA)
where:
Base-Base interactions energy: -1803.749
where: short stacking energy: -749.077
Base-Backbone interact. energy: -3.247
local terms energy: -769.719433
where:
bonds (distance) C4'-P energy: -135.923
bonds (distance) P-C4' energy: -139.725
flat angles C4'-P-C4' energy: -156.330
flat angles P-C4'-P energy: -112.298
tors. eta vs tors. theta energy: -225.443
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: 5, replica: 6
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -2401.205173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.205173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.252231 (E_RNA)
where:
Base-Base interactions energy: -1689.052
where: short stacking energy: -712.353
Base-Backbone interact. energy: -2.180
local terms energy: -714.019449
where:
bonds (distance) C4'-P energy: -106.262
bonds (distance) P-C4' energy: -142.930
flat angles C4'-P-C4' energy: -152.150
flat angles P-C4'-P energy: -112.858
tors. eta vs tors. theta energy: -199.819
Dist. restrs. and SS energy: 4.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -2374.728692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.728692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.063951 (E_RNA)
where:
Base-Base interactions energy: -1650.649
where: short stacking energy: -678.473
Base-Backbone interact. energy: 1.534
local terms energy: -731.949247
where:
bonds (distance) C4'-P energy: -128.326
bonds (distance) P-C4' energy: -137.180
flat angles C4'-P-C4' energy: -159.491
flat angles P-C4'-P energy: -98.514
tors. eta vs tors. theta energy: -208.438
Dist. restrs. and SS energy: 6.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -2241.247578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.247578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.090561 (E_RNA)
where:
Base-Base interactions energy: -1533.757
where: short stacking energy: -647.118
Base-Backbone interact. energy: -2.110
local terms energy: -715.223831
where:
bonds (distance) C4'-P energy: -132.674
bonds (distance) P-C4' energy: -141.859
flat angles C4'-P-C4' energy: -141.381
flat angles P-C4'-P energy: -112.757
tors. eta vs tors. theta energy: -186.552
Dist. restrs. and SS energy: 9.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -2227.221991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.221991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.256897 (E_RNA)
where:
Base-Base interactions energy: -1535.440
where: short stacking energy: -617.519
Base-Backbone interact. energy: -4.970
local terms energy: -693.846582
where:
bonds (distance) C4'-P energy: -134.073
bonds (distance) P-C4' energy: -123.689
flat angles C4'-P-C4' energy: -145.645
flat angles P-C4'-P energy: -102.623
tors. eta vs tors. theta energy: -187.817
Dist. restrs. and SS energy: 7.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -2087.535789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.535789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.933573 (E_RNA)
where:
Base-Base interactions energy: -1491.750
where: short stacking energy: -617.534
Base-Backbone interact. energy: -0.091
local terms energy: -605.092231
where:
bonds (distance) C4'-P energy: -98.041
bonds (distance) P-C4' energy: -109.853
flat angles C4'-P-C4' energy: -138.663
flat angles P-C4'-P energy: -85.216
tors. eta vs tors. theta energy: -173.320
Dist. restrs. and SS energy: 9.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -1964.807792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.807792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.951372 (E_RNA)
where:
Base-Base interactions energy: -1407.475
where: short stacking energy: -586.442
Base-Backbone interact. energy: 1.269
local terms energy: -581.745037
where:
bonds (distance) C4'-P energy: -118.276
bonds (distance) P-C4' energy: -100.673
flat angles C4'-P-C4' energy: -127.244
flat angles P-C4'-P energy: -74.396
tors. eta vs tors. theta energy: -161.156
Dist. restrs. and SS energy: 23.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -2806.018313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.018313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.118650 (E_RNA)
where:
Base-Base interactions energy: -1988.037
where: short stacking energy: -843.289
Base-Backbone interact. energy: -1.133
local terms energy: -820.948351
where:
bonds (distance) C4'-P energy: -139.593
bonds (distance) P-C4' energy: -142.626
flat angles C4'-P-C4' energy: -175.288
flat angles P-C4'-P energy: -109.952
tors. eta vs tors. theta energy: -253.488
Dist. restrs. and SS energy: 4.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -2735.460828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.460828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.860510 (E_RNA)
where:
Base-Base interactions energy: -1911.272
where: short stacking energy: -824.137
Base-Backbone interact. energy: -2.476
local terms energy: -825.113032
where:
bonds (distance) C4'-P energy: -135.908
bonds (distance) P-C4' energy: -147.787
flat angles C4'-P-C4' energy: -166.639
flat angles P-C4'-P energy: -116.489
tors. eta vs tors. theta energy: -258.290
Dist. restrs. and SS energy: 3.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -2621.920769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.920769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.273113 (E_RNA)
where:
Base-Base interactions energy: -1836.471
where: short stacking energy: -775.577
Base-Backbone interact. energy: 0.578
local terms energy: -790.380166
where:
bonds (distance) C4'-P energy: -124.989
bonds (distance) P-C4' energy: -150.373
flat angles C4'-P-C4' energy: -167.294
flat angles P-C4'-P energy: -117.184
tors. eta vs tors. theta energy: -230.540
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: 4, replica: 2
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -2534.325735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.325735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.649244 (E_RNA)
where:
Base-Base interactions energy: -1775.306
where: short stacking energy: -732.769
Base-Backbone interact. energy: -0.194
local terms energy: -760.148848
where:
bonds (distance) C4'-P energy: -135.673
bonds (distance) P-C4' energy: -134.003
flat angles C4'-P-C4' energy: -156.330
flat angles P-C4'-P energy: -105.511
tors. eta vs tors. theta energy: -228.632
Dist. restrs. and SS energy: 1.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -2399.271302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.271302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.857493 (E_RNA)
where:
Base-Base interactions energy: -1683.783
where: short stacking energy: -699.031
Base-Backbone interact. energy: 4.852
local terms energy: -725.926445
where:
bonds (distance) C4'-P energy: -141.707
bonds (distance) P-C4' energy: -122.115
flat angles C4'-P-C4' energy: -151.184
flat angles P-C4'-P energy: -99.243
tors. eta vs tors. theta energy: -211.676
Dist. restrs. and SS energy: 5.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -2418.701876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.701876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.317778 (E_RNA)
where:
Base-Base interactions energy: -1731.469
where: short stacking energy: -728.533
Base-Backbone interact. energy: 0.755
local terms energy: -697.603122
where:
bonds (distance) C4'-P energy: -130.237
bonds (distance) P-C4' energy: -126.731
flat angles C4'-P-C4' energy: -151.475
flat angles P-C4'-P energy: -79.350
tors. eta vs tors. theta energy: -209.811
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: 7, replica: 1
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -2228.935531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.935531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.604583 (E_RNA)
where:
Base-Base interactions energy: -1579.659
where: short stacking energy: -669.921
Base-Backbone interact. energy: -2.239
local terms energy: -655.706680
where:
bonds (distance) C4'-P energy: -118.994
bonds (distance) P-C4' energy: -113.800
flat angles C4'-P-C4' energy: -147.138
flat angles P-C4'-P energy: -92.371
tors. eta vs tors. theta energy: -183.403
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: 8, replica: 4
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -2175.961670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.961670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.077407 (E_RNA)
where:
Base-Base interactions energy: -1519.397
where: short stacking energy: -616.790
Base-Backbone interact. energy: -3.981
local terms energy: -660.699141
where:
bonds (distance) C4'-P energy: -115.658
bonds (distance) P-C4' energy: -120.307
flat angles C4'-P-C4' energy: -153.045
flat angles P-C4'-P energy: -91.657
tors. eta vs tors. theta energy: -180.032
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: 9, replica: 9
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -2030.670431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.670431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.650124 (E_RNA)
where:
Base-Base interactions energy: -1443.924
where: short stacking energy: -591.452
Base-Backbone interact. energy: 4.969
local terms energy: -608.695149
where:
bonds (distance) C4'-P energy: -98.233
bonds (distance) P-C4' energy: -121.471
flat angles C4'-P-C4' energy: -135.903
flat angles P-C4'-P energy: -91.281
tors. eta vs tors. theta energy: -161.808
Dist. restrs. and SS energy: 16.980 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -1954.251601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.251601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.790878 (E_RNA)
where:
Base-Base interactions energy: -1398.912
where: short stacking energy: -588.515
Base-Backbone interact. energy: 5.716
local terms energy: -577.594734
where:
bonds (distance) C4'-P energy: -96.903
bonds (distance) P-C4' energy: -111.292
flat angles C4'-P-C4' energy: -128.022
flat angles P-C4'-P energy: -88.213
tors. eta vs tors. theta energy: -153.165
Dist. restrs. and SS energy: 16.539 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -2799.615424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.615424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.155715 (E_RNA)
where:
Base-Base interactions energy: -1952.094
where: short stacking energy: -795.805
Base-Backbone interact. energy: -4.621
local terms energy: -848.439910
where:
bonds (distance) C4'-P energy: -145.522
bonds (distance) P-C4' energy: -155.757
flat angles C4'-P-C4' energy: -172.488
flat angles P-C4'-P energy: -129.140
tors. eta vs tors. theta energy: -245.533
Dist. restrs. and SS energy: 5.540 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -2714.166000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.166000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.455670 (E_RNA)
where:
Base-Base interactions energy: -1892.193
where: short stacking energy: -820.543
Base-Backbone interact. energy: -1.660
local terms energy: -824.602330
where:
bonds (distance) C4'-P energy: -141.522
bonds (distance) P-C4' energy: -151.003
flat angles C4'-P-C4' energy: -158.801
flat angles P-C4'-P energy: -117.553
tors. eta vs tors. theta energy: -255.724
Dist. restrs. and SS energy: 4.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -2620.960013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.960013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.706215 (E_RNA)
where:
Base-Base interactions energy: -1859.037
where: short stacking energy: -778.706
Base-Backbone interact. energy: -6.107
local terms energy: -760.562778
where:
bonds (distance) C4'-P energy: -135.490
bonds (distance) P-C4' energy: -117.080
flat angles C4'-P-C4' energy: -164.632
flat angles P-C4'-P energy: -109.673
tors. eta vs tors. theta energy: -233.688
Dist. restrs. and SS energy: 4.746 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -2522.264571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.264571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.597457 (E_RNA)
where:
Base-Base interactions energy: -1763.821
where: short stacking energy: -765.478
Base-Backbone interact. energy: -1.364
local terms energy: -760.412252
where:
bonds (distance) C4'-P energy: -124.512
bonds (distance) P-C4' energy: -130.029
flat angles C4'-P-C4' energy: -160.877
flat angles P-C4'-P energy: -107.268
tors. eta vs tors. theta energy: -237.726
Dist. restrs. and SS energy: 3.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -2441.104592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.104592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.869215 (E_RNA)
where:
Base-Base interactions energy: -1706.604
where: short stacking energy: -675.205
Base-Backbone interact. energy: -4.091
local terms energy: -733.173925
where:
bonds (distance) C4'-P energy: -134.196
bonds (distance) P-C4' energy: -139.985
flat angles C4'-P-C4' energy: -160.803
flat angles P-C4'-P energy: -98.616
tors. eta vs tors. theta energy: -199.573
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: 6, replica: 5
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -2355.014656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.014656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.887687 (E_RNA)
where:
Base-Base interactions energy: -1648.650
where: short stacking energy: -707.431
Base-Backbone interact. energy: 0.093
local terms energy: -717.330558
where:
bonds (distance) C4'-P energy: -131.215
bonds (distance) P-C4' energy: -123.795
flat angles C4'-P-C4' energy: -156.240
flat angles P-C4'-P energy: -100.247
tors. eta vs tors. theta energy: -205.834
Dist. restrs. and SS energy: 10.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -2251.062925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.062925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.805188 (E_RNA)
where:
Base-Base interactions energy: -1580.839
where: short stacking energy: -658.331
Base-Backbone interact. energy: -3.333
local terms energy: -675.633203
where:
bonds (distance) C4'-P energy: -127.505
bonds (distance) P-C4' energy: -126.646
flat angles C4'-P-C4' energy: -145.762
flat angles P-C4'-P energy: -81.957
tors. eta vs tors. theta energy: -193.764
Dist. restrs. and SS energy: 8.742 (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: 4
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -2158.276555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.276555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.584740 (E_RNA)
where:
Base-Base interactions energy: -1550.648
where: short stacking energy: -628.728
Base-Backbone interact. energy: -3.777
local terms energy: -620.159465
where:
bonds (distance) C4'-P energy: -103.469
bonds (distance) P-C4' energy: -112.054
flat angles C4'-P-C4' energy: -135.956
flat angles P-C4'-P energy: -85.550
tors. eta vs tors. theta energy: -183.131
Dist. restrs. and SS energy: 16.308 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -2086.730593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.730593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.425520 (E_RNA)
where:
Base-Base interactions energy: -1498.379
where: short stacking energy: -598.322
Base-Backbone interact. energy: 0.028
local terms energy: -607.075231
where:
bonds (distance) C4'-P energy: -96.986
bonds (distance) P-C4' energy: -111.197
flat angles C4'-P-C4' energy: -129.010
flat angles P-C4'-P energy: -97.555
tors. eta vs tors. theta energy: -172.329
Dist. restrs. and SS energy: 18.695 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -2028.810686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.810686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.201051 (E_RNA)
where:
Base-Base interactions energy: -1444.448
where: short stacking energy: -567.506
Base-Backbone interact. energy: -3.012
local terms energy: -603.740979
where:
bonds (distance) C4'-P energy: -119.338
bonds (distance) P-C4' energy: -106.577
flat angles C4'-P-C4' energy: -125.253
flat angles P-C4'-P energy: -78.006
tors. eta vs tors. theta energy: -174.566
Dist. restrs. and SS energy: 22.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -2789.121356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2789.121356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.622996 (E_RNA)
where:
Base-Base interactions energy: -1965.216
where: short stacking energy: -829.007
Base-Backbone interact. energy: 0.635
local terms energy: -831.041893
where:
bonds (distance) C4'-P energy: -136.448
bonds (distance) P-C4' energy: -161.334
flat angles C4'-P-C4' energy: -168.603
flat angles P-C4'-P energy: -114.947
tors. eta vs tors. theta energy: -249.710
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: 2, replica: 10
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -2756.537118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.537118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.043743 (E_RNA)
where:
Base-Base interactions energy: -1925.615
where: short stacking energy: -846.955
Base-Backbone interact. energy: -2.602
local terms energy: -832.827056
where:
bonds (distance) C4'-P energy: -124.818
bonds (distance) P-C4' energy: -151.154
flat angles C4'-P-C4' energy: -171.724
flat angles P-C4'-P energy: -125.421
tors. eta vs tors. theta energy: -259.711
Dist. restrs. and SS energy: 4.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -2642.216674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.216674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.233699 (E_RNA)
where:
Base-Base interactions energy: -1857.393
where: short stacking energy: -775.736
Base-Backbone interact. energy: -1.447
local terms energy: -787.394295
where:
bonds (distance) C4'-P energy: -130.158
bonds (distance) P-C4' energy: -150.865
flat angles C4'-P-C4' energy: -160.169
flat angles P-C4'-P energy: -111.807
tors. eta vs tors. theta energy: -234.395
Dist. restrs. and SS energy: 4.017 (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: 2
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -2551.744922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.744922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.598734 (E_RNA)
where:
Base-Base interactions energy: -1795.076
where: short stacking energy: -780.432
Base-Backbone interact. energy: -1.269
local terms energy: -760.253232
where:
bonds (distance) C4'-P energy: -123.452
bonds (distance) P-C4' energy: -132.292
flat angles C4'-P-C4' energy: -160.424
flat angles P-C4'-P energy: -111.111
tors. eta vs tors. theta energy: -232.974
Dist. restrs. and SS energy: 4.854 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -2401.800309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.800309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.088804 (E_RNA)
where:
Base-Base interactions energy: -1690.823
where: short stacking energy: -680.731
Base-Backbone interact. energy: 4.359
local terms energy: -718.624543
where:
bonds (distance) C4'-P energy: -129.375
bonds (distance) P-C4' energy: -142.691
flat angles C4'-P-C4' energy: -159.272
flat angles P-C4'-P energy: -95.816
tors. eta vs tors. theta energy: -191.471
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: 5
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -2373.516257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.516257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.334941 (E_RNA)
where:
Base-Base interactions energy: -1678.247
where: short stacking energy: -695.682
Base-Backbone interact. energy: -0.294
local terms energy: -699.794033
where:
bonds (distance) C4'-P energy: -107.505
bonds (distance) P-C4' energy: -132.744
flat angles C4'-P-C4' energy: -143.657
flat angles P-C4'-P energy: -102.664
tors. eta vs tors. theta energy: -213.224
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: 7, replica: 1
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -2286.974009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.974009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.573097 (E_RNA)
where:
Base-Base interactions energy: -1613.045
where: short stacking energy: -684.840
Base-Backbone interact. energy: 5.886
local terms energy: -691.413287
where:
bonds (distance) C4'-P energy: -109.162
bonds (distance) P-C4' energy: -126.773
flat angles C4'-P-C4' energy: -147.194
flat angles P-C4'-P energy: -108.708
tors. eta vs tors. theta energy: -199.577
Dist. restrs. and SS energy: 11.599 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -2170.584305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.584305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.264413 (E_RNA)
where:
Base-Base interactions energy: -1565.073
where: short stacking energy: -635.913
Base-Backbone interact. energy: -3.129
local terms energy: -614.062370
where:
bonds (distance) C4'-P energy: -124.385
bonds (distance) P-C4' energy: -101.157
flat angles C4'-P-C4' energy: -127.212
flat angles P-C4'-P energy: -85.969
tors. eta vs tors. theta energy: -175.341
Dist. restrs. and SS energy: 11.680 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -2100.679910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.679910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.028857 (E_RNA)
where:
Base-Base interactions energy: -1511.226
where: short stacking energy: -607.497
Base-Backbone interact. energy: 1.827
local terms energy: -601.629742
where:
bonds (distance) C4'-P energy: -110.743
bonds (distance) P-C4' energy: -106.100
flat angles C4'-P-C4' energy: -132.075
flat angles P-C4'-P energy: -72.702
tors. eta vs tors. theta energy: -180.009
Dist. restrs. and SS energy: 10.349 (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: 9
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -1991.491887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.491887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.257020 (E_RNA)
where:
Base-Base interactions energy: -1421.814
where: short stacking energy: -579.727
Base-Backbone interact. energy: 0.032
local terms energy: -585.474652
where:
bonds (distance) C4'-P energy: -100.558
bonds (distance) P-C4' energy: -98.904
flat angles C4'-P-C4' energy: -141.849
flat angles P-C4'-P energy: -79.486
tors. eta vs tors. theta energy: -164.678
Dist. restrs. and SS energy: 15.765 (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: 3
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -2808.585761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.585761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2815.349406 (E_RNA)
where:
Base-Base interactions energy: -1962.258
where: short stacking energy: -841.074
Base-Backbone interact. energy: -5.576
local terms energy: -847.514978
where:
bonds (distance) C4'-P energy: -141.771
bonds (distance) P-C4' energy: -152.352
flat angles C4'-P-C4' energy: -169.230
flat angles P-C4'-P energy: -123.945
tors. eta vs tors. theta energy: -260.217
Dist. restrs. and SS energy: 6.764 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -2741.474185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.474185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.211289 (E_RNA)
where:
Base-Base interactions energy: -1899.567
where: short stacking energy: -835.837
Base-Backbone interact. energy: -1.775
local terms energy: -843.868762
where:
bonds (distance) C4'-P energy: -132.876
bonds (distance) P-C4' energy: -146.860
flat angles C4'-P-C4' energy: -182.370
flat angles P-C4'-P energy: -127.204
tors. eta vs tors. theta energy: -254.559
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: 3, replica: 8
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -2598.693435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.693435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.013665 (E_RNA)
where:
Base-Base interactions energy: -1824.352
where: short stacking energy: -761.583
Base-Backbone interact. energy: -5.834
local terms energy: -770.827311
where:
bonds (distance) C4'-P energy: -143.045
bonds (distance) P-C4' energy: -127.999
flat angles C4'-P-C4' energy: -154.516
flat angles P-C4'-P energy: -112.831
tors. eta vs tors. theta energy: -232.436
Dist. restrs. and SS energy: 2.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -2572.175246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.175246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.362385 (E_RNA)
where:
Base-Base interactions energy: -1810.254
where: short stacking energy: -776.729
Base-Backbone interact. energy: -3.147
local terms energy: -762.961716
where:
bonds (distance) C4'-P energy: -128.917
bonds (distance) P-C4' energy: -128.570
flat angles C4'-P-C4' energy: -155.025
flat angles P-C4'-P energy: -107.909
tors. eta vs tors. theta energy: -242.540
Dist. restrs. and SS energy: 4.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -2435.052055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.052055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.428634 (E_RNA)
where:
Base-Base interactions energy: -1734.355
where: short stacking energy: -740.308
Base-Backbone interact. energy: -2.711
local terms energy: -707.362833
where:
bonds (distance) C4'-P energy: -125.131
bonds (distance) P-C4' energy: -132.274
flat angles C4'-P-C4' energy: -147.921
flat angles P-C4'-P energy: -98.584
tors. eta vs tors. theta energy: -203.452
Dist. restrs. and SS energy: 9.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -2364.809888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.809888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.683389 (E_RNA)
where:
Base-Base interactions energy: -1687.203
where: short stacking energy: -702.647
Base-Backbone interact. energy: -1.010
local terms energy: -691.469994
where:
bonds (distance) C4'-P energy: -137.020
bonds (distance) P-C4' energy: -116.973
flat angles C4'-P-C4' energy: -141.278
flat angles P-C4'-P energy: -101.028
tors. eta vs tors. theta energy: -195.172
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: 1
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -2322.087210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.087210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.978526 (E_RNA)
where:
Base-Base interactions energy: -1635.154
where: short stacking energy: -677.137
Base-Backbone interact. energy: -3.174
local terms energy: -693.650660
where:
bonds (distance) C4'-P energy: -122.202
bonds (distance) P-C4' energy: -125.902
flat angles C4'-P-C4' energy: -139.268
flat angles P-C4'-P energy: -101.023
tors. eta vs tors. theta energy: -205.255
Dist. restrs. and SS energy: 9.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -2181.792277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.792277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.200674 (E_RNA)
where:
Base-Base interactions energy: -1537.689
where: short stacking energy: -641.125
Base-Backbone interact. energy: -0.646
local terms energy: -656.866363
where:
bonds (distance) C4'-P energy: -126.511
bonds (distance) P-C4' energy: -119.810
flat angles C4'-P-C4' energy: -136.585
flat angles P-C4'-P energy: -90.318
tors. eta vs tors. theta energy: -183.643
Dist. restrs. and SS energy: 13.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -2069.144280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.144280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.246347 (E_RNA)
where:
Base-Base interactions energy: -1443.454
where: short stacking energy: -598.334
Base-Backbone interact. energy: 0.726
local terms energy: -645.518149
where:
bonds (distance) C4'-P energy: -113.954
bonds (distance) P-C4' energy: -108.459
flat angles C4'-P-C4' energy: -147.212
flat angles P-C4'-P energy: -94.776
tors. eta vs tors. theta energy: -181.117
Dist. restrs. and SS energy: 19.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -1931.555635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.555635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.613208 (E_RNA)
where:
Base-Base interactions energy: -1361.515
where: short stacking energy: -564.451
Base-Backbone interact. energy: -2.646
local terms energy: -580.452526
where:
bonds (distance) C4'-P energy: -134.826
bonds (distance) P-C4' energy: -121.082
flat angles C4'-P-C4' energy: -113.299
flat angles P-C4'-P energy: -66.202
tors. eta vs tors. theta energy: -145.044
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: 1, replica: 3
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -2795.583827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.583827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.898745 (E_RNA)
where:
Base-Base interactions energy: -1951.572
where: short stacking energy: -817.020
Base-Backbone interact. energy: -3.734
local terms energy: -845.593038
where:
bonds (distance) C4'-P energy: -146.547
bonds (distance) P-C4' energy: -132.894
flat angles C4'-P-C4' energy: -177.691
flat angles P-C4'-P energy: -132.415
tors. eta vs tors. theta energy: -256.047
Dist. restrs. and SS energy: 5.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -2722.561748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.561748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.206267 (E_RNA)
where:
Base-Base interactions energy: -1898.674
where: short stacking energy: -832.110
Base-Backbone interact. energy: -3.052
local terms energy: -822.480947
where:
bonds (distance) C4'-P energy: -139.602
bonds (distance) P-C4' energy: -134.410
flat angles C4'-P-C4' energy: -171.302
flat angles P-C4'-P energy: -114.593
tors. eta vs tors. theta energy: -262.574
Dist. restrs. and SS energy: 1.645 (S_DIST_RNA)
chem. 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: -2641.913369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.913369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.259602 (E_RNA)
where:
Base-Base interactions energy: -1853.472
where: short stacking energy: -776.254
Base-Backbone interact. energy: -4.346
local terms energy: -787.441326
where:
bonds (distance) C4'-P energy: -127.723
bonds (distance) P-C4' energy: -150.211
flat angles C4'-P-C4' energy: -158.947
flat angles P-C4'-P energy: -118.880
tors. eta vs tors. theta energy: -231.680
Dist. restrs. and SS energy: 3.346 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -2573.390167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.390167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.068258 (E_RNA)
where:
Base-Base interactions energy: -1804.735
where: short stacking energy: -777.039
Base-Backbone interact. energy: -1.958
local terms energy: -777.375614
where:
bonds (distance) C4'-P energy: -129.174
bonds (distance) P-C4' energy: -138.159
flat angles C4'-P-C4' energy: -165.333
flat angles P-C4'-P energy: -115.113
tors. eta vs tors. theta energy: -229.596
Dist. restrs. and SS energy: 10.678 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -2421.211440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.211440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.610617 (E_RNA)
where:
Base-Base interactions energy: -1704.906
where: short stacking energy: -695.875
Base-Backbone interact. energy: -1.197
local terms energy: -718.507872
where:
bonds (distance) C4'-P energy: -133.982
bonds (distance) P-C4' energy: -135.141
flat angles C4'-P-C4' energy: -150.054
flat angles P-C4'-P energy: -93.000
tors. eta vs tors. theta energy: -206.331
Dist. restrs. and SS energy: 3.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -2376.711697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.711697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.140302 (E_RNA)
where:
Base-Base interactions energy: -1658.847
where: short stacking energy: -716.422
Base-Backbone interact. energy: -2.632
local terms energy: -724.661080
where:
bonds (distance) C4'-P energy: -143.530
bonds (distance) P-C4' energy: -127.390
flat angles C4'-P-C4' energy: -141.241
flat angles P-C4'-P energy: -99.458
tors. eta vs tors. theta energy: -213.041
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: 7, replica: 5
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -2299.517526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.517526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.513016 (E_RNA)
where:
Base-Base interactions energy: -1599.500
where: short stacking energy: -673.703
Base-Backbone interact. energy: -0.998
local terms energy: -704.015453
where:
bonds (distance) C4'-P energy: -139.392
bonds (distance) P-C4' energy: -124.732
flat angles C4'-P-C4' energy: -149.377
flat angles P-C4'-P energy: -94.112
tors. eta vs tors. theta energy: -196.402
Dist. restrs. and SS energy: 4.995 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -2180.091740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.091740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.814025 (E_RNA)
where:
Base-Base interactions energy: -1553.273
where: short stacking energy: -647.793
Base-Backbone interact. energy: -5.974
local terms energy: -634.566667
where:
bonds (distance) C4'-P energy: -99.278
bonds (distance) P-C4' energy: -122.505
flat angles C4'-P-C4' energy: -144.773
flat angles P-C4'-P energy: -84.788
tors. eta vs tors. theta energy: -183.222
Dist. restrs. and SS energy: 13.722 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -2059.061740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.061740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.658401 (E_RNA)
where:
Base-Base interactions energy: -1451.443
where: short stacking energy: -606.883
Base-Backbone interact. energy: -3.515
local terms energy: -617.700041
where:
bonds (distance) C4'-P energy: -107.674
bonds (distance) P-C4' energy: -119.981
flat angles C4'-P-C4' energy: -127.915
flat angles P-C4'-P energy: -89.591
tors. eta vs tors. theta energy: -172.539
Dist. restrs. and SS energy: 13.597 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -1913.176889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.176889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.825494 (E_RNA)
where:
Base-Base interactions energy: -1394.407
where: short stacking energy: -565.111
Base-Backbone interact. energy: -2.610
local terms energy: -544.809271
where:
bonds (distance) C4'-P energy: -82.229
bonds (distance) P-C4' energy: -129.094
flat angles C4'-P-C4' energy: -120.795
flat angles P-C4'-P energy: -65.339
tors. eta vs tors. theta energy: -147.353
Dist. restrs. and SS energy: 28.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -2816.320162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.320162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2820.883674 (E_RNA)
where:
Base-Base interactions energy: -1958.420
where: short stacking energy: -832.440
Base-Backbone interact. energy: -4.028
local terms energy: -858.436066
where:
bonds (distance) C4'-P energy: -147.219
bonds (distance) P-C4' energy: -150.605
flat angles C4'-P-C4' energy: -181.342
flat angles P-C4'-P energy: -129.302
tors. eta vs tors. theta energy: -249.968
Dist. restrs. and SS energy: 4.564 (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: 10
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -2729.207314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.207314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.549425 (E_RNA)
where:
Base-Base interactions energy: -1909.505
where: short stacking energy: -830.003
Base-Backbone interact. energy: 4.167
local terms energy: -826.211279
where:
bonds (distance) C4'-P energy: -141.787
bonds (distance) P-C4' energy: -154.937
flat angles C4'-P-C4' energy: -156.144
flat angles P-C4'-P energy: -116.333
tors. eta vs tors. theta energy: -257.010
Dist. restrs. and SS energy: 2.342 (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: 8
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -2641.979740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.979740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.974406 (E_RNA)
where:
Base-Base interactions energy: -1836.701
where: short stacking energy: -787.417
Base-Backbone interact. energy: -4.959
local terms energy: -803.314523
where:
bonds (distance) C4'-P energy: -147.378
bonds (distance) P-C4' energy: -135.653
flat angles C4'-P-C4' energy: -165.150
flat angles P-C4'-P energy: -120.986
tors. eta vs tors. theta energy: -234.147
Dist. restrs. and SS energy: 2.995 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -2543.007266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.007266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.445090 (E_RNA)
where:
Base-Base interactions energy: -1772.635
where: short stacking energy: -747.693
Base-Backbone interact. energy: -1.609
local terms energy: -773.201526
where:
bonds (distance) C4'-P energy: -146.452
bonds (distance) P-C4' energy: -130.734
flat angles C4'-P-C4' energy: -153.941
flat angles P-C4'-P energy: -104.229
tors. eta vs tors. theta energy: -237.845
Dist. restrs. and SS energy: 4.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -2469.606578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.606578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.840108 (E_RNA)
where:
Base-Base interactions energy: -1733.827
where: short stacking energy: -743.621
Base-Backbone interact. energy: -2.366
local terms energy: -740.646858
where:
bonds (distance) C4'-P energy: -119.219
bonds (distance) P-C4' energy: -137.286
flat angles C4'-P-C4' energy: -162.723
flat angles P-C4'-P energy: -100.709
tors. eta vs tors. theta energy: -220.710
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: 6, replica: 6
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -2403.811777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.811777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.298403 (E_RNA)
where:
Base-Base interactions energy: -1707.340
where: short stacking energy: -694.271
Base-Backbone interact. energy: 1.076
local terms energy: -703.035067
where:
bonds (distance) C4'-P energy: -105.903
bonds (distance) P-C4' energy: -133.732
flat angles C4'-P-C4' energy: -163.767
flat angles P-C4'-P energy: -102.294
tors. eta vs tors. theta energy: -197.339
Dist. restrs. and SS energy: 5.487 (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: 5
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -2255.275517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.275517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.172699 (E_RNA)
where:
Base-Base interactions energy: -1596.280
where: short stacking energy: -670.401
Base-Backbone interact. energy: -2.428
local terms energy: -662.464521
where:
bonds (distance) C4'-P energy: -93.749
bonds (distance) P-C4' energy: -127.533
flat angles C4'-P-C4' energy: -160.231
flat angles P-C4'-P energy: -89.390
tors. eta vs tors. theta energy: -191.560
Dist. restrs. and SS energy: 5.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -2184.082342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.082342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.259701 (E_RNA)
where:
Base-Base interactions energy: -1549.273
where: short stacking energy: -661.149
Base-Backbone interact. energy: 6.439
local terms energy: -651.426000
where:
bonds (distance) C4'-P energy: -112.718
bonds (distance) P-C4' energy: -115.112
flat angles C4'-P-C4' energy: -150.925
flat angles P-C4'-P energy: -80.074
tors. eta vs tors. theta energy: -192.598
Dist. restrs. and SS energy: 10.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -2055.624738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.624738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.689629 (E_RNA)
where:
Base-Base interactions energy: -1452.456
where: short stacking energy: -609.664
Base-Backbone interact. energy: -2.357
local terms energy: -615.876731
where:
bonds (distance) C4'-P energy: -126.334
bonds (distance) P-C4' energy: -99.086
flat angles C4'-P-C4' energy: -142.319
flat angles P-C4'-P energy: -85.514
tors. eta vs tors. theta energy: -162.624
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: 10, replica: 9
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -1998.614326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.614326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.370813 (E_RNA)
where:
Base-Base interactions energy: -1423.952
where: short stacking energy: -608.410
Base-Backbone interact. energy: -1.632
local terms energy: -590.786389
where:
bonds (distance) C4'-P energy: -107.239
bonds (distance) P-C4' energy: -105.512
flat angles C4'-P-C4' energy: -135.354
flat angles P-C4'-P energy: -66.668
tors. eta vs tors. theta energy: -176.013
Dist. restrs. and SS energy: 17.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -2773.102876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2773.102876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2775.801804 (E_RNA)
where:
Base-Base interactions energy: -1939.297
where: short stacking energy: -806.069
Base-Backbone interact. energy: -4.694
local terms energy: -831.810518
where:
bonds (distance) C4'-P energy: -137.121
bonds (distance) P-C4' energy: -147.643
flat angles C4'-P-C4' energy: -180.285
flat angles P-C4'-P energy: -123.773
tors. eta vs tors. theta energy: -242.989
Dist. restrs. and SS energy: 2.699 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -2723.763478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.763478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.596098 (E_RNA)
where:
Base-Base interactions energy: -1888.164
where: short stacking energy: -828.985
Base-Backbone interact. energy: -2.053
local terms energy: -838.380031
where:
bonds (distance) C4'-P energy: -142.489
bonds (distance) P-C4' energy: -131.751
flat angles C4'-P-C4' energy: -169.909
flat angles P-C4'-P energy: -126.694
tors. eta vs tors. theta energy: -267.537
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: 449
Temperature: 1.000000
Total energy: -2643.418344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.418344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.020862 (E_RNA)
where:
Base-Base interactions energy: -1850.965
where: short stacking energy: -769.176
Base-Backbone interact. energy: -3.596
local terms energy: -793.459937
where:
bonds (distance) C4'-P energy: -139.225
bonds (distance) P-C4' energy: -133.384
flat angles C4'-P-C4' energy: -159.467
flat angles P-C4'-P energy: -119.973
tors. eta vs tors. theta energy: -241.411
Dist. restrs. and SS energy: 4.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -2540.792049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.792049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.879241 (E_RNA)
where:
Base-Base interactions energy: -1767.511
where: short stacking energy: -743.253
Base-Backbone interact. energy: -6.222
local terms energy: -770.146108
where:
bonds (distance) C4'-P energy: -142.630
bonds (distance) P-C4' energy: -139.801
flat angles C4'-P-C4' energy: -151.953
flat angles P-C4'-P energy: -104.251
tors. eta vs tors. theta energy: -231.511
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: 5, replica: 1
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -2462.068121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.068121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.168286 (E_RNA)
where:
Base-Base interactions energy: -1706.165
where: short stacking energy: -727.316
Base-Backbone interact. energy: -1.228
local terms energy: -763.775913
where:
bonds (distance) C4'-P energy: -128.862
bonds (distance) P-C4' energy: -140.268
flat angles C4'-P-C4' energy: -159.082
flat angles P-C4'-P energy: -112.064
tors. eta vs tors. theta energy: -223.500
Dist. restrs. and SS energy: 9.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -2353.776547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.776547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.737037 (E_RNA)
where:
Base-Base interactions energy: -1676.651
where: short stacking energy: -694.579
Base-Backbone interact. energy: -3.549
local terms energy: -677.536458
where:
bonds (distance) C4'-P energy: -106.633
bonds (distance) P-C4' energy: -119.631
flat angles C4'-P-C4' energy: -152.649
flat angles P-C4'-P energy: -96.155
tors. eta vs tors. theta energy: -202.469
Dist. restrs. and SS energy: 3.960 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -2262.644431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.644431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.091096 (E_RNA)
where:
Base-Base interactions energy: -1584.135
where: short stacking energy: -679.624
Base-Backbone interact. energy: -2.032
local terms energy: -683.924499
where:
bonds (distance) C4'-P energy: -117.381
bonds (distance) P-C4' energy: -130.209
flat angles C4'-P-C4' energy: -138.698
flat angles P-C4'-P energy: -97.547
tors. eta vs tors. theta energy: -200.089
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: 8, replica: 7
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -2156.320115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.320115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.484909 (E_RNA)
where:
Base-Base interactions energy: -1504.297
where: short stacking energy: -609.296
Base-Backbone interact. energy: 1.951
local terms energy: -664.139051
where:
bonds (distance) C4'-P energy: -126.522
bonds (distance) P-C4' energy: -146.198
flat angles C4'-P-C4' energy: -137.911
flat angles P-C4'-P energy: -84.013
tors. eta vs tors. theta energy: -169.495
Dist. restrs. and SS energy: 10.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -2118.429940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.429940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.903041 (E_RNA)
where:
Base-Base interactions energy: -1525.900
where: short stacking energy: -596.599
Base-Backbone interact. energy: 2.607
local terms energy: -604.609850
where:
bonds (distance) C4'-P energy: -108.454
bonds (distance) P-C4' energy: -108.514
flat angles C4'-P-C4' energy: -127.047
flat angles P-C4'-P energy: -92.940
tors. eta vs tors. theta energy: -167.654
Dist. restrs. and SS energy: 9.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -2018.010543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.010543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.460839 (E_RNA)
where:
Base-Base interactions energy: -1414.759
where: short stacking energy: -586.530
Base-Backbone interact. energy: -2.964
local terms energy: -616.737220
where:
bonds (distance) C4'-P energy: -107.370
bonds (distance) P-C4' energy: -118.341
flat angles C4'-P-C4' energy: -141.640
flat angles P-C4'-P energy: -73.632
tors. eta vs tors. theta energy: -175.755
Dist. restrs. and SS energy: 16.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -2790.885246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.885246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.695221 (E_RNA)
where:
Base-Base interactions energy: -1952.776
where: short stacking energy: -831.216
Base-Backbone interact. energy: -1.369
local terms energy: -840.550733
where:
bonds (distance) C4'-P energy: -147.426
bonds (distance) P-C4' energy: -155.961
flat angles C4'-P-C4' energy: -167.357
flat angles P-C4'-P energy: -124.131
tors. eta vs tors. theta energy: -245.675
Dist. restrs. and SS energy: 3.810 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -2745.155407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.155407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.066336 (E_RNA)
where:
Base-Base interactions energy: -1922.529
where: short stacking energy: -846.853
Base-Backbone interact. energy: -2.488
local terms energy: -825.048949
where:
bonds (distance) C4'-P energy: -145.381
bonds (distance) P-C4' energy: -140.294
flat angles C4'-P-C4' energy: -162.892
flat angles P-C4'-P energy: -120.105
tors. eta vs tors. theta energy: -256.377
Dist. restrs. and SS energy: 4.911 (S_DIST_RNA)
chem. 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: -2612.363161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.363161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.877380 (E_RNA)
where:
Base-Base interactions energy: -1834.992
where: short stacking energy: -785.332
Base-Backbone interact. energy: -2.901
local terms energy: -780.984746
where:
bonds (distance) C4'-P energy: -139.947
bonds (distance) P-C4' energy: -123.494
flat angles C4'-P-C4' energy: -171.907
flat angles P-C4'-P energy: -115.049
tors. eta vs tors. theta energy: -230.588
Dist. restrs. and SS energy: 6.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -2554.638138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.638138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.486295 (E_RNA)
where:
Base-Base interactions energy: -1789.277
where: short stacking energy: -764.322
Base-Backbone interact. energy: -3.328
local terms energy: -765.881896
where:
bonds (distance) C4'-P energy: -142.534
bonds (distance) P-C4' energy: -134.823
flat angles C4'-P-C4' energy: -161.603
flat angles P-C4'-P energy: -100.644
tors. eta vs tors. theta energy: -226.279
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: 5, replica: 6
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -2418.194294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.194294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.010226 (E_RNA)
where:
Base-Base interactions energy: -1687.458
where: short stacking energy: -711.138
Base-Backbone interact. energy: -4.532
local terms energy: -733.019732
where:
bonds (distance) C4'-P energy: -128.685
bonds (distance) P-C4' energy: -131.796
flat angles C4'-P-C4' energy: -155.728
flat angles P-C4'-P energy: -105.632
tors. eta vs tors. theta energy: -211.179
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: 1
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -2387.435898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.435898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.768216 (E_RNA)
where:
Base-Base interactions energy: -1651.859
where: short stacking energy: -690.097
Base-Backbone interact. energy: 0.300
local terms energy: -744.209132
where:
bonds (distance) C4'-P energy: -126.084
bonds (distance) P-C4' energy: -145.655
flat angles C4'-P-C4' energy: -151.267
flat angles P-C4'-P energy: -107.273
tors. eta vs tors. theta energy: -213.930
Dist. restrs. and SS energy: 8.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -2279.916511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.916511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.715339 (E_RNA)
where:
Base-Base interactions energy: -1597.043
where: short stacking energy: -680.020
Base-Backbone interact. energy: 3.994
local terms energy: -695.665474
where:
bonds (distance) C4'-P energy: -117.571
bonds (distance) P-C4' energy: -126.542
flat angles C4'-P-C4' energy: -153.461
flat angles P-C4'-P energy: -101.094
tors. eta vs tors. theta energy: -196.997
Dist. restrs. and SS energy: 8.799 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -2130.912721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.912721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.278533 (E_RNA)
where:
Base-Base interactions energy: -1496.657
where: short stacking energy: -634.985
Base-Backbone interact. energy: -0.974
local terms energy: -648.646918
where:
bonds (distance) C4'-P energy: -119.300
bonds (distance) P-C4' energy: -140.367
flat angles C4'-P-C4' energy: -130.920
flat angles P-C4'-P energy: -90.147
tors. eta vs tors. theta energy: -167.912
Dist. restrs. and SS energy: 15.366 (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: 4
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -2146.199979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.199979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.020046 (E_RNA)
where:
Base-Base interactions energy: -1546.085
where: short stacking energy: -615.609
Base-Backbone interact. energy: -1.111
local terms energy: -611.823572
where:
bonds (distance) C4'-P energy: -103.273
bonds (distance) P-C4' energy: -115.309
flat angles C4'-P-C4' energy: -134.255
flat angles P-C4'-P energy: -91.825
tors. eta vs tors. theta energy: -167.161
Dist. restrs. and SS energy: 12.820 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -1984.149443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.149443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.174169 (E_RNA)
where:
Base-Base interactions energy: -1390.895
where: short stacking energy: -571.958
Base-Backbone interact. energy: 4.404
local terms energy: -618.683154
where:
bonds (distance) C4'-P energy: -104.528
bonds (distance) P-C4' energy: -126.813
flat angles C4'-P-C4' energy: -128.730
flat angles P-C4'-P energy: -90.562
tors. eta vs tors. theta energy: -168.050
Dist. restrs. and SS energy: 21.025 (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: 3
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -2774.928548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.928548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.204696 (E_RNA)
where:
Base-Base interactions energy: -1946.614
where: short stacking energy: -821.038
Base-Backbone interact. energy: -4.400
local terms energy: -830.190383
where:
bonds (distance) C4'-P energy: -151.250
bonds (distance) P-C4' energy: -137.577
flat angles C4'-P-C4' energy: -182.071
flat angles P-C4'-P energy: -116.290
tors. eta vs tors. theta energy: -243.002
Dist. restrs. and SS energy: 6.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -2722.502808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.502808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2725.622165 (E_RNA)
where:
Base-Base interactions energy: -1897.482
where: short stacking energy: -831.573
Base-Backbone interact. energy: -5.341
local terms energy: -822.799063
where:
bonds (distance) C4'-P energy: -143.979
bonds (distance) P-C4' energy: -130.243
flat angles C4'-P-C4' energy: -173.104
flat angles P-C4'-P energy: -117.343
tors. eta vs tors. theta energy: -258.130
Dist. restrs. and SS energy: 3.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -2631.920176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.920176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.270256 (E_RNA)
where:
Base-Base interactions energy: -1849.488
where: short stacking energy: -765.829
Base-Backbone interact. energy: -3.356
local terms energy: -783.426475
where:
bonds (distance) C4'-P energy: -134.737
bonds (distance) P-C4' energy: -136.269
flat angles C4'-P-C4' energy: -163.717
flat angles P-C4'-P energy: -108.008
tors. eta vs tors. theta energy: -240.695
Dist. restrs. and SS energy: 4.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -2559.468358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.468358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.094370 (E_RNA)
where:
Base-Base interactions energy: -1780.103
where: short stacking energy: -787.131
Base-Backbone interact. energy: -2.833
local terms energy: -780.158174
where:
bonds (distance) C4'-P energy: -130.125
bonds (distance) P-C4' energy: -140.505
flat angles C4'-P-C4' energy: -164.414
flat angles P-C4'-P energy: -108.347
tors. eta vs tors. theta energy: -236.768
Dist. restrs. and SS energy: 3.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -2417.512538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.512538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.952994 (E_RNA)
where:
Base-Base interactions energy: -1697.721
where: short stacking energy: -689.198
Base-Backbone interact. energy: -3.603
local terms energy: -718.629572
where:
bonds (distance) C4'-P energy: -137.067
bonds (distance) P-C4' energy: -135.859
flat angles C4'-P-C4' energy: -141.178
flat angles P-C4'-P energy: -101.621
tors. eta vs tors. theta energy: -202.905
Dist. restrs. and SS energy: 2.440 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -2380.339892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.339892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.945439 (E_RNA)
where:
Base-Base interactions energy: -1689.098
where: short stacking energy: -725.758
Base-Backbone interact. energy: -3.472
local terms energy: -694.375388
where:
bonds (distance) C4'-P energy: -113.171
bonds (distance) P-C4' energy: -116.347
flat angles C4'-P-C4' energy: -151.731
flat angles P-C4'-P energy: -94.347
tors. eta vs tors. theta energy: -218.780
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: 7, replica: 5
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -2258.791614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.791614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.123719 (E_RNA)
where:
Base-Base interactions energy: -1605.374
where: short stacking energy: -664.732
Base-Backbone interact. energy: -0.933
local terms energy: -656.816601
where:
bonds (distance) C4'-P energy: -104.129
bonds (distance) P-C4' energy: -121.489
flat angles C4'-P-C4' energy: -145.013
flat angles P-C4'-P energy: -104.012
tors. eta vs tors. theta energy: -182.173
Dist. restrs. and SS energy: 4.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -2136.287858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.287858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.043177 (E_RNA)
where:
Base-Base interactions energy: -1538.553
where: short stacking energy: -636.683
Base-Backbone interact. energy: -3.253
local terms energy: -609.237148
where:
bonds (distance) C4'-P energy: -123.118
bonds (distance) P-C4' energy: -121.410
flat angles C4'-P-C4' energy: -128.960
flat angles P-C4'-P energy: -63.868
tors. eta vs tors. theta energy: -171.881
Dist. restrs. and SS energy: 14.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -2137.317373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.317373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.764986 (E_RNA)
where:
Base-Base interactions energy: -1516.427
where: short stacking energy: -617.788
Base-Backbone interact. energy: -0.939
local terms energy: -629.399089
where:
bonds (distance) C4'-P energy: -95.104
bonds (distance) P-C4' energy: -133.591
flat angles C4'-P-C4' energy: -142.952
flat angles P-C4'-P energy: -86.285
tors. eta vs tors. theta energy: -171.467
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: 10, replica: 9
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -1966.088662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.088662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.517293 (E_RNA)
where:
Base-Base interactions energy: -1396.071
where: short stacking energy: -595.427
Base-Backbone interact. energy: 5.934
local terms energy: -594.379846
where:
bonds (distance) C4'-P energy: -113.645
bonds (distance) P-C4' energy: -104.384
flat angles C4'-P-C4' energy: -125.516
flat angles P-C4'-P energy: -80.093
tors. eta vs tors. theta energy: -170.741
Dist. restrs. and SS energy: 18.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -2776.274177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.274177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.309299 (E_RNA)
where:
Base-Base interactions energy: -1963.712
where: short stacking energy: -840.670
Base-Backbone interact. energy: -3.339
local terms energy: -815.258422
where:
bonds (distance) C4'-P energy: -157.724
bonds (distance) P-C4' energy: -133.321
flat angles C4'-P-C4' energy: -166.549
flat angles P-C4'-P energy: -116.395
tors. eta vs tors. theta energy: -241.269
Dist. restrs. and SS energy: 6.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -2728.208455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.208455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.693304 (E_RNA)
where:
Base-Base interactions energy: -1897.775
where: short stacking energy: -821.650
Base-Backbone interact. energy: -0.286
local terms energy: -833.632148
where:
bonds (distance) C4'-P energy: -142.188
bonds (distance) P-C4' energy: -154.176
flat angles C4'-P-C4' energy: -161.574
flat angles P-C4'-P energy: -122.624
tors. eta vs tors. theta energy: -253.070
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: 3, replica: 8
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -2626.168072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.168072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.531994 (E_RNA)
where:
Base-Base interactions energy: -1846.981
where: short stacking energy: -789.266
Base-Backbone interact. energy: 0.661
local terms energy: -786.212511
where:
bonds (distance) C4'-P energy: -128.140
bonds (distance) P-C4' energy: -141.737
flat angles C4'-P-C4' energy: -166.155
flat angles P-C4'-P energy: -116.419
tors. eta vs tors. theta energy: -233.762
Dist. restrs. and SS energy: 6.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -2575.336476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.336476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.982564 (E_RNA)
where:
Base-Base interactions energy: -1804.917
where: short stacking energy: -776.121
Base-Backbone interact. energy: -3.388
local terms energy: -770.677227
where:
bonds (distance) C4'-P energy: -127.573
bonds (distance) P-C4' energy: -131.804
flat angles C4'-P-C4' energy: -154.202
flat angles P-C4'-P energy: -104.019
tors. eta vs tors. theta energy: -253.079
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: 5, replica: 6
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -2458.549206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.549206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.735493 (E_RNA)
where:
Base-Base interactions energy: -1728.880
where: short stacking energy: -727.373
Base-Backbone interact. energy: -2.635
local terms energy: -731.221210
where:
bonds (distance) C4'-P energy: -122.141
bonds (distance) P-C4' energy: -141.950
flat angles C4'-P-C4' energy: -141.763
flat angles P-C4'-P energy: -118.338
tors. eta vs tors. theta energy: -207.029
Dist. restrs. and SS energy: 4.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -2364.482777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.482777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.833812 (E_RNA)
where:
Base-Base interactions energy: -1670.690
where: short stacking energy: -702.235
Base-Backbone interact. energy: -3.019
local terms energy: -697.125626
where:
bonds (distance) C4'-P energy: -124.796
bonds (distance) P-C4' energy: -143.618
flat angles C4'-P-C4' energy: -157.621
flat angles P-C4'-P energy: -67.709
tors. eta vs tors. theta energy: -203.382
Dist. restrs. and SS energy: 6.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -2296.604422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.604422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.983453 (E_RNA)
where:
Base-Base interactions energy: -1608.478
where: short stacking energy: -689.979
Base-Backbone interact. energy: -0.449
local terms energy: -694.056690
where:
bonds (distance) C4'-P energy: -108.600
bonds (distance) P-C4' energy: -128.091
flat angles C4'-P-C4' energy: -152.239
flat angles P-C4'-P energy: -98.787
tors. eta vs tors. theta energy: -206.339
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: 8, replica: 7
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -2148.790210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.790210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.613472 (E_RNA)
where:
Base-Base interactions energy: -1490.799
where: short stacking energy: -624.141
Base-Backbone interact. energy: -0.727
local terms energy: -670.088217
where:
bonds (distance) C4'-P energy: -118.193
bonds (distance) P-C4' energy: -108.018
flat angles C4'-P-C4' energy: -145.968
flat angles P-C4'-P energy: -99.170
tors. eta vs tors. theta energy: -198.738
Dist. restrs. and SS energy: 12.823 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -2135.801147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.801147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.744665 (E_RNA)
where:
Base-Base interactions energy: -1510.805
where: short stacking energy: -620.278
Base-Backbone interact. energy: -1.505
local terms energy: -631.434089
where:
bonds (distance) C4'-P energy: -114.345
bonds (distance) P-C4' energy: -126.100
flat angles C4'-P-C4' energy: -134.582
flat angles P-C4'-P energy: -74.699
tors. eta vs tors. theta energy: -181.708
Dist. restrs. and SS energy: 7.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -2000.495737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.495737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.337892 (E_RNA)
where:
Base-Base interactions energy: -1407.179
where: short stacking energy: -592.961
Base-Backbone interact. energy: -1.284
local terms energy: -613.875488
where:
bonds (distance) C4'-P energy: -116.743
bonds (distance) P-C4' energy: -107.665
flat angles C4'-P-C4' energy: -142.199
flat angles P-C4'-P energy: -75.493
tors. eta vs tors. theta energy: -171.775
Dist. restrs. and SS energy: 21.842 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -2782.651097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.651097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.657649 (E_RNA)
where:
Base-Base interactions energy: -1946.821
where: short stacking energy: -832.451
Base-Backbone interact. energy: 1.282
local terms energy: -841.118850
where:
bonds (distance) C4'-P energy: -135.252
bonds (distance) P-C4' energy: -158.112
flat angles C4'-P-C4' energy: -178.414
flat angles P-C4'-P energy: -121.243
tors. eta vs tors. theta energy: -248.098
Dist. restrs. and SS energy: 4.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -2733.592295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.592295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.126178 (E_RNA)
where:
Base-Base interactions energy: -1902.363
where: short stacking energy: -829.136
Base-Backbone interact. energy: -3.328
local terms energy: -830.435502
where:
bonds (distance) C4'-P energy: -138.398
bonds (distance) P-C4' energy: -147.580
flat angles C4'-P-C4' energy: -170.039
flat angles P-C4'-P energy: -119.548
tors. eta vs tors. theta energy: -254.870
Dist. restrs. and SS energy: 2.534 (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: 453
Temperature: 1.000000
Total energy: -2629.883693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.883693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.863838 (E_RNA)
where:
Base-Base interactions energy: -1873.838
where: short stacking energy: -783.911
Base-Backbone interact. energy: 1.806
local terms energy: -765.832247
where:
bonds (distance) C4'-P energy: -145.755
bonds (distance) P-C4' energy: -125.395
flat angles C4'-P-C4' energy: -161.607
flat angles P-C4'-P energy: -94.810
tors. eta vs tors. theta energy: -238.266
Dist. restrs. and SS energy: 7.980 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -2573.834545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.834545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.289981 (E_RNA)
where:
Base-Base interactions energy: -1823.392
where: short stacking energy: -790.472
Base-Backbone interact. energy: 1.887
local terms energy: -756.784869
where:
bonds (distance) C4'-P energy: -130.421
bonds (distance) P-C4' energy: -142.655
flat angles C4'-P-C4' energy: -148.140
flat angles P-C4'-P energy: -105.326
tors. eta vs tors. theta energy: -230.243
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: 5, replica: 6
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -2424.054169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.054169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.388874 (E_RNA)
where:
Base-Base interactions energy: -1713.362
where: short stacking energy: -696.550
Base-Backbone interact. energy: 2.234
local terms energy: -717.260198
where:
bonds (distance) C4'-P energy: -127.413
bonds (distance) P-C4' energy: -131.030
flat angles C4'-P-C4' energy: -154.574
flat angles P-C4'-P energy: -111.885
tors. eta vs tors. theta energy: -192.358
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: 6, replica: 1
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -2376.724524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.724524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.916080 (E_RNA)
where:
Base-Base interactions energy: -1642.930
where: short stacking energy: -680.762
Base-Backbone interact. energy: 0.680
local terms energy: -740.665760
where:
bonds (distance) C4'-P energy: -134.923
bonds (distance) P-C4' energy: -125.856
flat angles C4'-P-C4' energy: -168.585
flat angles P-C4'-P energy: -102.694
tors. eta vs tors. theta energy: -208.608
Dist. restrs. and SS energy: 6.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -2299.353272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.353272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.293246 (E_RNA)
where:
Base-Base interactions energy: -1593.438
where: short stacking energy: -680.662
Base-Backbone interact. energy: -1.061
local terms energy: -709.794627
where:
bonds (distance) C4'-P energy: -133.822
bonds (distance) P-C4' energy: -141.030
flat angles C4'-P-C4' energy: -143.083
flat angles P-C4'-P energy: -90.301
tors. eta vs tors. theta energy: -201.559
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: 453
Temperature: 1.250000
Total energy: -2198.848024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.848024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.333512 (E_RNA)
where:
Base-Base interactions energy: -1555.791
where: short stacking energy: -632.371
Base-Backbone interact. energy: -5.309
local terms energy: -654.233711
where:
bonds (distance) C4'-P energy: -115.616
bonds (distance) P-C4' energy: -121.040
flat angles C4'-P-C4' energy: -134.369
flat angles P-C4'-P energy: -95.031
tors. eta vs tors. theta energy: -188.177
Dist. restrs. and SS energy: 16.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -2185.746714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.746714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.208844 (E_RNA)
where:
Base-Base interactions energy: -1547.491
where: short stacking energy: -645.094
Base-Backbone interact. energy: -0.346
local terms energy: -646.372133
where:
bonds (distance) C4'-P energy: -111.355
bonds (distance) P-C4' energy: -116.927
flat angles C4'-P-C4' energy: -132.604
flat angles P-C4'-P energy: -85.414
tors. eta vs tors. theta energy: -200.071
Dist. restrs. and SS energy: 8.462 (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: 9
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -2020.841238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.841238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.573981 (E_RNA)
where:
Base-Base interactions energy: -1433.948
where: short stacking energy: -580.288
Base-Backbone interact. energy: -2.876
local terms energy: -596.749874
where:
bonds (distance) C4'-P energy: -109.174
bonds (distance) P-C4' energy: -113.494
flat angles C4'-P-C4' energy: -132.022
flat angles P-C4'-P energy: -81.269
tors. eta vs tors. theta energy: -160.791
Dist. restrs. and SS energy: 12.733 (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: 3
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -2790.603106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.603106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.737127 (E_RNA)
where:
Base-Base interactions energy: -1972.134
where: short stacking energy: -842.090
Base-Backbone interact. energy: 3.132
local terms energy: -824.734561
where:
bonds (distance) C4'-P energy: -144.676
bonds (distance) P-C4' energy: -145.226
flat angles C4'-P-C4' energy: -175.309
flat angles P-C4'-P energy: -115.519
tors. eta vs tors. theta energy: -244.005
Dist. restrs. and SS energy: 3.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -2733.335266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.335266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.665180 (E_RNA)
where:
Base-Base interactions energy: -1904.531
where: short stacking energy: -826.226
Base-Backbone interact. energy: -2.434
local terms energy: -829.700006
where:
bonds (distance) C4'-P energy: -133.837
bonds (distance) P-C4' energy: -147.556
flat angles C4'-P-C4' energy: -170.485
flat angles P-C4'-P energy: -117.335
tors. eta vs tors. theta energy: -260.487
Dist. restrs. and SS energy: 3.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -2649.753989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.753989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.044889 (E_RNA)
where:
Base-Base interactions energy: -1878.860
where: short stacking energy: -799.876
Base-Backbone interact. energy: -1.933
local terms energy: -775.252076
where:
bonds (distance) C4'-P energy: -124.194
bonds (distance) P-C4' energy: -142.353
flat angles C4'-P-C4' energy: -155.984
flat angles P-C4'-P energy: -118.499
tors. eta vs tors. theta energy: -234.223
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: 4, replica: 2
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -2602.220602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.220602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.137141 (E_RNA)
where:
Base-Base interactions energy: -1832.853
where: short stacking energy: -752.755
Base-Backbone interact. energy: -1.063
local terms energy: -773.221328
where:
bonds (distance) C4'-P energy: -124.762
bonds (distance) P-C4' energy: -126.111
flat angles C4'-P-C4' energy: -173.622
flat angles P-C4'-P energy: -112.132
tors. eta vs tors. theta energy: -236.594
Dist. restrs. and SS energy: 4.917 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -2407.423083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.423083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.389171 (E_RNA)
where:
Base-Base interactions energy: -1689.068
where: short stacking energy: -689.772
Base-Backbone interact. energy: 1.145
local terms energy: -724.465827
where:
bonds (distance) C4'-P energy: -136.314
bonds (distance) P-C4' energy: -125.119
flat angles C4'-P-C4' energy: -155.506
flat angles P-C4'-P energy: -101.819
tors. eta vs tors. theta energy: -205.707
Dist. restrs. and SS energy: 4.966 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -2381.956954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.956954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.875070 (E_RNA)
where:
Base-Base interactions energy: -1692.137
where: short stacking energy: -692.703
Base-Backbone interact. energy: -2.504
local terms energy: -698.233864
where:
bonds (distance) C4'-P energy: -106.297
bonds (distance) P-C4' energy: -129.580
flat angles C4'-P-C4' energy: -164.642
flat angles P-C4'-P energy: -96.325
tors. eta vs tors. theta energy: -201.389
Dist. restrs. and SS energy: 10.918 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -2287.369915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.369915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.782180 (E_RNA)
where:
Base-Base interactions energy: -1615.691
where: short stacking energy: -671.777
Base-Backbone interact. energy: -2.127
local terms energy: -673.964705
where:
bonds (distance) C4'-P energy: -123.191
bonds (distance) P-C4' energy: -114.250
flat angles C4'-P-C4' energy: -131.847
flat angles P-C4'-P energy: -104.893
tors. eta vs tors. theta energy: -199.782
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: 8, replica: 7
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -2194.177712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.177712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.290227 (E_RNA)
where:
Base-Base interactions energy: -1528.951
where: short stacking energy: -624.150
Base-Backbone interact. energy: -0.384
local terms energy: -676.954778
where:
bonds (distance) C4'-P energy: -127.023
bonds (distance) P-C4' energy: -125.689
flat angles C4'-P-C4' energy: -156.733
flat angles P-C4'-P energy: -73.793
tors. eta vs tors. theta energy: -193.717
Dist. restrs. and SS energy: 12.113 (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: 454
Temperature: 1.300000
Total energy: -2140.215371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.215371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.137753 (E_RNA)
where:
Base-Base interactions energy: -1542.056
where: short stacking energy: -650.111
Base-Backbone interact. energy: -1.344
local terms energy: -605.737527
where:
bonds (distance) C4'-P energy: -98.641
bonds (distance) P-C4' energy: -108.886
flat angles C4'-P-C4' energy: -132.594
flat angles P-C4'-P energy: -82.398
tors. eta vs tors. theta energy: -183.219
Dist. restrs. and SS energy: 8.922 (S_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: 454
Temperature: 1.350000
Total energy: -1999.943351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.943351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.494173 (E_RNA)
where:
Base-Base interactions energy: -1467.880
where: short stacking energy: -575.974
Base-Backbone interact. energy: 0.269
local terms energy: -546.883148
where:
bonds (distance) C4'-P energy: -103.724
bonds (distance) P-C4' energy: -110.064
flat angles C4'-P-C4' energy: -132.893
flat angles P-C4'-P energy: -55.731
tors. eta vs tors. theta energy: -144.471
Dist. restrs. and SS energy: 14.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -2821.006358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.006358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.292620 (E_RNA)
where:
Base-Base interactions energy: -1970.600
where: short stacking energy: -812.360
Base-Backbone interact. energy: -4.607
local terms energy: -849.086317
where:
bonds (distance) C4'-P energy: -154.102
bonds (distance) P-C4' energy: -148.389
flat angles C4'-P-C4' energy: -176.616
flat angles P-C4'-P energy: -118.412
tors. eta vs tors. theta energy: -251.567
Dist. restrs. and SS energy: 3.286 (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: 10
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -2713.490351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.490351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.822221 (E_RNA)
where:
Base-Base interactions energy: -1914.968
where: short stacking energy: -821.355
Base-Backbone interact. energy: -1.487
local terms energy: -799.366987
where:
bonds (distance) C4'-P energy: -128.331
bonds (distance) P-C4' energy: -148.712
flat angles C4'-P-C4' energy: -159.813
flat angles P-C4'-P energy: -111.368
tors. eta vs tors. theta energy: -251.143
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: 3, replica: 8
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -2647.934608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.934608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.039337 (E_RNA)
where:
Base-Base interactions energy: -1871.752
where: short stacking energy: -791.264
Base-Backbone interact. energy: 0.087
local terms energy: -784.374813
where:
bonds (distance) C4'-P energy: -128.017
bonds (distance) P-C4' energy: -158.500
flat angles C4'-P-C4' energy: -162.504
flat angles P-C4'-P energy: -109.719
tors. eta vs tors. theta energy: -225.635
Dist. restrs. and SS energy: 8.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -2579.007452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.007452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.501840 (E_RNA)
where:
Base-Base interactions energy: -1825.819
where: short stacking energy: -760.043
Base-Backbone interact. energy: -4.083
local terms energy: -753.599563
where:
bonds (distance) C4'-P energy: -126.695
bonds (distance) P-C4' energy: -133.228
flat angles C4'-P-C4' energy: -157.731
flat angles P-C4'-P energy: -95.092
tors. eta vs tors. theta energy: -240.855
Dist. restrs. and SS energy: 4.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -2396.771415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.771415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.348339 (E_RNA)
where:
Base-Base interactions energy: -1674.744
where: short stacking energy: -694.360
Base-Backbone interact. energy: -0.989
local terms energy: -726.615770
where:
bonds (distance) C4'-P energy: -137.278
bonds (distance) P-C4' energy: -131.357
flat angles C4'-P-C4' energy: -148.441
flat angles P-C4'-P energy: -101.587
tors. eta vs tors. theta energy: -207.953
Dist. restrs. and SS energy: 5.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -2391.192048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.192048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.669879 (E_RNA)
where:
Base-Base interactions energy: -1686.077
where: short stacking energy: -694.132
Base-Backbone interact. energy: -2.628
local terms energy: -710.964857
where:
bonds (distance) C4'-P energy: -118.934
bonds (distance) P-C4' energy: -120.154
flat angles C4'-P-C4' energy: -163.284
flat angles P-C4'-P energy: -98.396
tors. eta vs tors. theta energy: -210.197
Dist. restrs. and SS energy: 8.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -2279.331707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.331707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.257820 (E_RNA)
where:
Base-Base interactions energy: -1653.876
where: short stacking energy: -705.566
Base-Backbone interact. energy: 0.483
local terms energy: -631.864514
where:
bonds (distance) C4'-P energy: -105.714
bonds (distance) P-C4' energy: -110.521
flat angles C4'-P-C4' energy: -131.554
flat angles P-C4'-P energy: -91.004
tors. eta vs tors. theta energy: -193.071
Dist. restrs. and SS energy: 5.926 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -2167.923867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.923867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.440617 (E_RNA)
where:
Base-Base interactions energy: -1521.792
where: short stacking energy: -635.959
Base-Backbone interact. energy: -2.625
local terms energy: -658.024231
where:
bonds (distance) C4'-P energy: -125.251
bonds (distance) P-C4' energy: -107.671
flat angles C4'-P-C4' energy: -151.079
flat angles P-C4'-P energy: -101.415
tors. eta vs tors. theta energy: -172.608
Dist. restrs. and SS energy: 14.517 (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: 455
Temperature: 1.300000
Total energy: -2156.041624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.041624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.609005 (E_RNA)
where:
Base-Base interactions energy: -1534.422
where: short stacking energy: -633.199
Base-Backbone interact. energy: 3.352
local terms energy: -633.539351
where:
bonds (distance) C4'-P energy: -128.090
bonds (distance) P-C4' energy: -101.023
flat angles C4'-P-C4' energy: -140.223
flat angles P-C4'-P energy: -91.485
tors. eta vs tors. theta energy: -172.719
Dist. restrs. and SS energy: 8.567 (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: 9
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -2016.139773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.139773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.954601 (E_RNA)
where:
Base-Base interactions energy: -1412.508
where: short stacking energy: -571.704
Base-Backbone interact. energy: 2.920
local terms energy: -620.366049
where:
bonds (distance) C4'-P energy: -124.173
bonds (distance) P-C4' energy: -120.521
flat angles C4'-P-C4' energy: -134.903
flat angles P-C4'-P energy: -83.459
tors. eta vs tors. theta energy: -157.310
Dist. restrs. and SS energy: 13.815 (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: 3
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -2813.571191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.571191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.575940 (E_RNA)
where:
Base-Base interactions energy: -1984.628
where: short stacking energy: -856.661
Base-Backbone interact. energy: -0.282
local terms energy: -832.666522
where:
bonds (distance) C4'-P energy: -150.987
bonds (distance) P-C4' energy: -124.472
flat angles C4'-P-C4' energy: -180.273
flat angles P-C4'-P energy: -119.908
tors. eta vs tors. theta energy: -257.026
Dist. restrs. and SS energy: 4.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -2715.849918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.849918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.357334 (E_RNA)
where:
Base-Base interactions energy: -1898.115
where: short stacking energy: -827.079
Base-Backbone interact. energy: -2.304
local terms energy: -818.938076
where:
bonds (distance) C4'-P energy: -148.771
bonds (distance) P-C4' energy: -144.534
flat angles C4'-P-C4' energy: -170.655
flat angles P-C4'-P energy: -108.850
tors. eta vs tors. theta energy: -246.128
Dist. restrs. and SS energy: 3.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -2647.778454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.778454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.453542 (E_RNA)
where:
Base-Base interactions energy: -1870.655
where: short stacking energy: -791.531
Base-Backbone interact. energy: -2.286
local terms energy: -780.512479
where:
bonds (distance) C4'-P energy: -140.475
bonds (distance) P-C4' energy: -126.098
flat angles C4'-P-C4' energy: -161.211
flat angles P-C4'-P energy: -111.035
tors. eta vs tors. theta energy: -241.693
Dist. restrs. and SS energy: 5.675 (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: 2
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -2591.928371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.928371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.163509 (E_RNA)
where:
Base-Base interactions energy: -1827.892
where: short stacking energy: -754.414
Base-Backbone interact. energy: -2.742
local terms energy: -765.529429
where:
bonds (distance) C4'-P energy: -139.037
bonds (distance) P-C4' energy: -141.402
flat angles C4'-P-C4' energy: -145.869
flat angles P-C4'-P energy: -111.818
tors. eta vs tors. theta energy: -227.404
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: 5, replica: 6
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -2424.161098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.161098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.185349 (E_RNA)
where:
Base-Base interactions energy: -1685.256
where: short stacking energy: -715.731
Base-Backbone interact. energy: -3.354
local terms energy: -739.576168
where:
bonds (distance) C4'-P energy: -122.109
bonds (distance) P-C4' energy: -139.464
flat angles C4'-P-C4' energy: -162.435
flat angles P-C4'-P energy: -113.784
tors. eta vs tors. theta energy: -201.784
Dist. restrs. and SS energy: 4.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -2381.770655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.770655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.436107 (E_RNA)
where:
Base-Base interactions energy: -1693.477
where: short stacking energy: -700.588
Base-Backbone interact. energy: -0.920
local terms energy: -694.038500
where:
bonds (distance) C4'-P energy: -131.008
bonds (distance) P-C4' energy: -105.351
flat angles C4'-P-C4' energy: -146.819
flat angles P-C4'-P energy: -92.996
tors. eta vs tors. theta energy: -217.864
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: 7, replica: 5
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -2332.984371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.984371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.003028 (E_RNA)
where:
Base-Base interactions energy: -1635.573
where: short stacking energy: -691.639
Base-Backbone interact. energy: -2.792
local terms energy: -700.638157
where:
bonds (distance) C4'-P energy: -133.845
bonds (distance) P-C4' energy: -110.604
flat angles C4'-P-C4' energy: -142.652
flat angles P-C4'-P energy: -110.123
tors. eta vs tors. theta energy: -203.415
Dist. restrs. and SS energy: 6.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -2188.454950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.454950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.227829 (E_RNA)
where:
Base-Base interactions energy: -1554.100
where: short stacking energy: -653.029
Base-Backbone interact. energy: -0.261
local terms energy: -644.866332
where:
bonds (distance) C4'-P energy: -104.733
bonds (distance) P-C4' energy: -111.213
flat angles C4'-P-C4' energy: -148.787
flat angles P-C4'-P energy: -94.719
tors. eta vs tors. theta energy: -185.415
Dist. restrs. and SS energy: 10.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -2149.483247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.483247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.745097 (E_RNA)
where:
Base-Base interactions energy: -1510.072
where: short stacking energy: -651.514
Base-Backbone interact. energy: 1.741
local terms energy: -653.413753
where:
bonds (distance) C4'-P energy: -125.658
bonds (distance) P-C4' energy: -98.558
flat angles C4'-P-C4' energy: -139.320
flat angles P-C4'-P energy: -100.600
tors. eta vs tors. theta energy: -189.279
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: 10, replica: 9
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -2009.869683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.869683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.455842 (E_RNA)
where:
Base-Base interactions energy: -1416.975
where: short stacking energy: -597.074
Base-Backbone interact. energy: 6.371
local terms energy: -616.851590
where:
bonds (distance) C4'-P energy: -115.806
bonds (distance) P-C4' energy: -91.473
flat angles C4'-P-C4' energy: -145.328
flat angles P-C4'-P energy: -89.551
tors. eta vs tors. theta energy: -174.694
Dist. restrs. and SS energy: 17.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -2800.508535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.508535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.793941 (E_RNA)
where:
Base-Base interactions energy: -1968.080
where: short stacking energy: -823.730
Base-Backbone interact. energy: -4.449
local terms energy: -831.264919
where:
bonds (distance) C4'-P energy: -139.980
bonds (distance) P-C4' energy: -151.216
flat angles C4'-P-C4' energy: -172.095
flat angles P-C4'-P energy: -117.141
tors. eta vs tors. theta energy: -250.832
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: 2, replica: 10
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -2740.655922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.655922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.938270 (E_RNA)
where:
Base-Base interactions energy: -1942.155
where: short stacking energy: -814.082
Base-Backbone interact. energy: -1.508
local terms energy: -799.274817
where:
bonds (distance) C4'-P energy: -136.260
bonds (distance) P-C4' energy: -143.200
flat angles C4'-P-C4' energy: -165.055
flat angles P-C4'-P energy: -106.338
tors. eta vs tors. theta energy: -248.421
Dist. restrs. and SS energy: 2.282 (S_DIST_RNA)
chem. 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: -2653.018446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.018446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.003509 (E_RNA)
where:
Base-Base interactions energy: -1854.280
where: short stacking energy: -798.857
Base-Backbone interact. energy: 0.113
local terms energy: -804.836983
where:
bonds (distance) C4'-P energy: -148.191
bonds (distance) P-C4' energy: -139.638
flat angles C4'-P-C4' energy: -169.348
flat angles P-C4'-P energy: -107.888
tors. eta vs tors. theta energy: -239.771
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: 4, replica: 2
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -2578.286613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.286613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.198864 (E_RNA)
where:
Base-Base interactions energy: -1837.716
where: short stacking energy: -763.565
Base-Backbone interact. energy: -2.099
local terms energy: -742.383388
where:
bonds (distance) C4'-P energy: -122.337
bonds (distance) P-C4' energy: -126.635
flat angles C4'-P-C4' energy: -164.134
flat angles P-C4'-P energy: -96.896
tors. eta vs tors. theta energy: -232.382
Dist. restrs. and SS energy: 3.912 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -2402.189173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.189173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.001261 (E_RNA)
where:
Base-Base interactions energy: -1673.856
where: short stacking energy: -693.152
Base-Backbone interact. energy: -2.854
local terms energy: -730.290961
where:
bonds (distance) C4'-P energy: -123.814
bonds (distance) P-C4' energy: -128.459
flat angles C4'-P-C4' energy: -168.901
flat angles P-C4'-P energy: -115.445
tors. eta vs tors. theta energy: -193.672
Dist. restrs. and SS energy: 4.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -2403.230798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.230798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.882549 (E_RNA)
where:
Base-Base interactions energy: -1720.929
where: short stacking energy: -723.368
Base-Backbone interact. energy: -3.115
local terms energy: -689.837883
where:
bonds (distance) C4'-P energy: -126.146
bonds (distance) P-C4' energy: -122.113
flat angles C4'-P-C4' energy: -143.119
flat angles P-C4'-P energy: -92.819
tors. eta vs tors. theta energy: -205.642
Dist. restrs. and SS energy: 10.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -2284.755326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.755326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.070485 (E_RNA)
where:
Base-Base interactions energy: -1580.461
where: short stacking energy: -658.603
Base-Backbone interact. energy: -4.584
local terms energy: -709.024837
where:
bonds (distance) C4'-P energy: -127.580
bonds (distance) P-C4' energy: -149.894
flat angles C4'-P-C4' energy: -157.710
flat angles P-C4'-P energy: -80.741
tors. eta vs tors. theta energy: -193.099
Dist. restrs. and SS energy: 9.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -2177.320292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.320292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.518734 (E_RNA)
where:
Base-Base interactions energy: -1576.160
where: short stacking energy: -648.868
Base-Backbone interact. energy: -3.652
local terms energy: -609.707060
where:
bonds (distance) C4'-P energy: -102.810
bonds (distance) P-C4' energy: -110.889
flat angles C4'-P-C4' energy: -125.426
flat angles P-C4'-P energy: -79.809
tors. eta vs tors. theta energy: -190.774
Dist. restrs. and SS energy: 12.198 (S_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: 457
Temperature: 1.300000
Total energy: -2134.581708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.581708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.818197 (E_RNA)
where:
Base-Base interactions energy: -1522.311
where: short stacking energy: -634.536
Base-Backbone interact. energy: 1.362
local terms energy: -623.869450
where:
bonds (distance) C4'-P energy: -113.132
bonds (distance) P-C4' energy: -105.049
flat angles C4'-P-C4' energy: -149.188
flat angles P-C4'-P energy: -76.515
tors. eta vs tors. theta energy: -179.984
Dist. restrs. and SS energy: 10.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -2023.956271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.956271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.604534 (E_RNA)
where:
Base-Base interactions energy: -1436.301
where: short stacking energy: -591.405
Base-Backbone interact. energy: -0.321
local terms energy: -600.983017
where:
bonds (distance) C4'-P energy: -122.614
bonds (distance) P-C4' energy: -106.957
flat angles C4'-P-C4' energy: -125.450
flat angles P-C4'-P energy: -68.782
tors. eta vs tors. theta energy: -177.180
Dist. restrs. and SS energy: 13.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -2791.520929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.520929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.888668 (E_RNA)
where:
Base-Base interactions energy: -1935.581
where: short stacking energy: -812.315
Base-Backbone interact. energy: -5.358
local terms energy: -853.950113
where:
bonds (distance) C4'-P energy: -148.135
bonds (distance) P-C4' energy: -150.933
flat angles C4'-P-C4' energy: -184.814
flat angles P-C4'-P energy: -127.773
tors. eta vs tors. theta energy: -242.295
Dist. restrs. and SS energy: 3.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -2749.197139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2749.197139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2752.419940 (E_RNA)
where:
Base-Base interactions energy: -1935.681
where: short stacking energy: -825.216
Base-Backbone interact. energy: -2.699
local terms energy: -814.039593
where:
bonds (distance) C4'-P energy: -144.142
bonds (distance) P-C4' energy: -137.584
flat angles C4'-P-C4' energy: -169.406
flat angles P-C4'-P energy: -110.693
tors. eta vs tors. theta energy: -252.215
Dist. restrs. and SS energy: 3.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -2668.080564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.080564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.168513 (E_RNA)
where:
Base-Base interactions energy: -1867.192
where: short stacking energy: -774.498
Base-Backbone interact. energy: 0.590
local terms energy: -806.566029
where:
bonds (distance) C4'-P energy: -141.928
bonds (distance) P-C4' energy: -156.310
flat angles C4'-P-C4' energy: -158.803
flat angles P-C4'-P energy: -110.406
tors. eta vs tors. theta energy: -239.119
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: 4, replica: 2
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -2550.470989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.470989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.110440 (E_RNA)
where:
Base-Base interactions energy: -1811.811
where: short stacking energy: -745.040
Base-Backbone interact. energy: -2.707
local terms energy: -741.592152
where:
bonds (distance) C4'-P energy: -128.744
bonds (distance) P-C4' energy: -129.795
flat angles C4'-P-C4' energy: -150.601
flat angles P-C4'-P energy: -104.740
tors. eta vs tors. theta energy: -227.712
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: 6
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -2434.595735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.595735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.661156 (E_RNA)
where:
Base-Base interactions energy: -1715.466
where: short stacking energy: -704.089
Base-Backbone interact. energy: -0.760
local terms energy: -722.435409
where:
bonds (distance) C4'-P energy: -132.155
bonds (distance) P-C4' energy: -124.415
flat angles C4'-P-C4' energy: -151.016
flat angles P-C4'-P energy: -113.746
tors. eta vs tors. theta energy: -201.103
Dist. restrs. and SS energy: 4.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -2355.932569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.932569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.165087 (E_RNA)
where:
Base-Base interactions energy: -1662.539
where: short stacking energy: -691.482
Base-Backbone interact. energy: -1.987
local terms energy: -703.638813
where:
bonds (distance) C4'-P energy: -128.454
bonds (distance) P-C4' energy: -136.743
flat angles C4'-P-C4' energy: -147.136
flat angles P-C4'-P energy: -87.959
tors. eta vs tors. theta energy: -203.347
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: 7, replica: 5
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -2283.685533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.685533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.019444 (E_RNA)
where:
Base-Base interactions energy: -1575.529
where: short stacking energy: -643.554
Base-Backbone interact. energy: -0.375
local terms energy: -712.115587
where:
bonds (distance) C4'-P energy: -138.727
bonds (distance) P-C4' energy: -131.500
flat angles C4'-P-C4' energy: -148.793
flat angles P-C4'-P energy: -110.736
tors. eta vs tors. theta energy: -182.359
Dist. restrs. and SS energy: 4.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -2241.100784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.100784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.153821 (E_RNA)
where:
Base-Base interactions energy: -1571.884
where: short stacking energy: -658.507
Base-Backbone interact. energy: 7.238
local terms energy: -684.507911
where:
bonds (distance) C4'-P energy: -118.348
bonds (distance) P-C4' energy: -137.367
flat angles C4'-P-C4' energy: -137.234
flat angles P-C4'-P energy: -95.491
tors. eta vs tors. theta energy: -196.067
Dist. restrs. and SS energy: 8.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -2129.473250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.473250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.403966 (E_RNA)
where:
Base-Base interactions energy: -1518.544
where: short stacking energy: -639.974
Base-Backbone interact. energy: -2.029
local terms energy: -624.830799
where:
bonds (distance) C4'-P energy: -101.672
bonds (distance) P-C4' energy: -117.251
flat angles C4'-P-C4' energy: -141.055
flat angles P-C4'-P energy: -81.651
tors. eta vs tors. theta energy: -183.202
Dist. restrs. and SS energy: 15.931 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -2014.367991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.367991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.796040 (E_RNA)
where:
Base-Base interactions energy: -1415.102
where: short stacking energy: -573.336
Base-Backbone interact. energy: 2.474
local terms energy: -616.168321
where:
bonds (distance) C4'-P energy: -115.653
bonds (distance) P-C4' energy: -115.392
flat angles C4'-P-C4' energy: -148.496
flat angles P-C4'-P energy: -70.921
tors. eta vs tors. theta energy: -165.707
Dist. restrs. and SS energy: 14.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -2777.622857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.622857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.051524 (E_RNA)
where:
Base-Base interactions energy: -1958.095
where: short stacking energy: -812.268
Base-Backbone interact. energy: -6.037
local terms energy: -817.919412
where:
bonds (distance) C4'-P energy: -150.524
bonds (distance) P-C4' energy: -147.778
flat angles C4'-P-C4' energy: -164.450
flat angles P-C4'-P energy: -116.690
tors. eta vs tors. theta energy: -238.476
Dist. restrs. and SS energy: 4.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -2741.700499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.700499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.384875 (E_RNA)
where:
Base-Base interactions energy: -1939.181
where: short stacking energy: -823.580
Base-Backbone interact. energy: 3.703
local terms energy: -808.906636
where:
bonds (distance) C4'-P energy: -129.401
bonds (distance) P-C4' energy: -144.576
flat angles C4'-P-C4' energy: -168.901
flat angles P-C4'-P energy: -106.794
tors. eta vs tors. theta energy: -259.234
Dist. restrs. and SS energy: 2.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -2648.460287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.460287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.088358 (E_RNA)
where:
Base-Base interactions energy: -1881.806
where: short stacking energy: -814.986
Base-Backbone interact. energy: -3.147
local terms energy: -773.135990
where:
bonds (distance) C4'-P energy: -148.587
bonds (distance) P-C4' energy: -125.640
flat angles C4'-P-C4' energy: -153.343
flat angles P-C4'-P energy: -106.471
tors. eta vs tors. theta energy: -239.095
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: 4, replica: 2
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -2580.556183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.556183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.339566 (E_RNA)
where:
Base-Base interactions energy: -1787.852
where: short stacking energy: -778.941
Base-Backbone interact. energy: -0.431
local terms energy: -796.056941
where:
bonds (distance) C4'-P energy: -134.215
bonds (distance) P-C4' energy: -145.843
flat angles C4'-P-C4' energy: -160.142
flat angles P-C4'-P energy: -110.610
tors. eta vs tors. theta energy: -245.247
Dist. restrs. and SS energy: 3.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -2412.366885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.366885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.193745 (E_RNA)
where:
Base-Base interactions energy: -1690.878
where: short stacking energy: -720.648
Base-Backbone interact. energy: -2.134
local terms energy: -724.181855
where:
bonds (distance) C4'-P energy: -134.801
bonds (distance) P-C4' energy: -133.670
flat angles C4'-P-C4' energy: -148.497
flat angles P-C4'-P energy: -109.382
tors. eta vs tors. theta energy: -197.832
Dist. restrs. and SS energy: 4.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -2319.596727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.596727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.973280 (E_RNA)
where:
Base-Base interactions energy: -1618.675
where: short stacking energy: -683.916
Base-Backbone interact. energy: -3.039
local terms energy: -702.259035
where:
bonds (distance) C4'-P energy: -122.967
bonds (distance) P-C4' energy: -118.342
flat angles C4'-P-C4' energy: -154.248
flat angles P-C4'-P energy: -102.911
tors. eta vs tors. theta energy: -203.792
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: 7, replica: 1
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -2286.210824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.210824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.034491 (E_RNA)
where:
Base-Base interactions energy: -1607.721
where: short stacking energy: -655.447
Base-Backbone interact. energy: -2.475
local terms energy: -684.838696
where:
bonds (distance) C4'-P energy: -129.204
bonds (distance) P-C4' energy: -113.442
flat angles C4'-P-C4' energy: -153.504
flat angles P-C4'-P energy: -90.277
tors. eta vs tors. theta energy: -198.412
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: 459
Temperature: 1.250000
Total energy: -2193.222058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.222058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.008550 (E_RNA)
where:
Base-Base interactions energy: -1531.158
where: short stacking energy: -648.199
Base-Backbone interact. energy: -2.787
local terms energy: -678.063361
where:
bonds (distance) C4'-P energy: -117.069
bonds (distance) P-C4' energy: -140.230
flat angles C4'-P-C4' energy: -142.557
flat angles P-C4'-P energy: -82.921
tors. eta vs tors. theta energy: -195.287
Dist. restrs. and SS energy: 18.786 (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: 4
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -2129.923730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.923730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.188969 (E_RNA)
where:
Base-Base interactions energy: -1533.272
where: short stacking energy: -636.834
Base-Backbone interact. energy: -0.388
local terms energy: -607.528504
where:
bonds (distance) C4'-P energy: -87.516
bonds (distance) P-C4' energy: -94.894
flat angles C4'-P-C4' energy: -143.678
flat angles P-C4'-P energy: -87.643
tors. eta vs tors. theta energy: -193.797
Dist. restrs. and SS energy: 11.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -1957.912380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.912380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.843930 (E_RNA)
where:
Base-Base interactions energy: -1379.333
where: short stacking energy: -554.786
Base-Backbone interact. energy: 5.555
local terms energy: -602.065498
where:
bonds (distance) C4'-P energy: -109.367
bonds (distance) P-C4' energy: -123.675
flat angles C4'-P-C4' energy: -128.021
flat angles P-C4'-P energy: -83.032
tors. eta vs tors. theta energy: -157.970
Dist. restrs. and SS energy: 17.932 (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: 3
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -2822.426772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.426772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.505614 (E_RNA)
where:
Base-Base interactions energy: -1994.870
where: short stacking energy: -820.458
Base-Backbone interact. energy: -1.386
local terms energy: -831.250060
where:
bonds (distance) C4'-P energy: -137.437
bonds (distance) P-C4' energy: -148.576
flat angles C4'-P-C4' energy: -173.131
flat angles P-C4'-P energy: -120.316
tors. eta vs tors. theta energy: -251.790
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: 2, replica: 10
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -2767.758567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.758567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.996630 (E_RNA)
where:
Base-Base interactions energy: -1943.644
where: short stacking energy: -829.595
Base-Backbone interact. energy: -0.956
local terms energy: -826.396241
where:
bonds (distance) C4'-P energy: -133.422
bonds (distance) P-C4' energy: -157.127
flat angles C4'-P-C4' energy: -170.116
flat angles P-C4'-P energy: -114.778
tors. eta vs tors. theta energy: -250.953
Dist. restrs. and SS energy: 3.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -2662.318899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.318899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.377251 (E_RNA)
where:
Base-Base interactions energy: -1869.785
where: short stacking energy: -786.301
Base-Backbone interact. energy: -3.875
local terms energy: -792.716928
where:
bonds (distance) C4'-P energy: -135.907
bonds (distance) P-C4' energy: -145.003
flat angles C4'-P-C4' energy: -168.546
flat angles P-C4'-P energy: -103.168
tors. eta vs tors. theta energy: -240.093
Dist. restrs. and SS energy: 4.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -2552.070442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.070442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.747415 (E_RNA)
where:
Base-Base interactions energy: -1780.978
where: short stacking energy: -731.050
Base-Backbone interact. energy: -3.719
local terms energy: -770.050127
where:
bonds (distance) C4'-P energy: -140.067
bonds (distance) P-C4' energy: -145.091
flat angles C4'-P-C4' energy: -159.841
flat angles P-C4'-P energy: -100.147
tors. eta vs tors. theta energy: -224.904
Dist. restrs. and SS energy: 2.677 (S_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: 460
Temperature: 1.100000
Total energy: -2369.144178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.144178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.931058 (E_RNA)
where:
Base-Base interactions energy: -1653.700
where: short stacking energy: -710.753
Base-Backbone interact. energy: 4.573
local terms energy: -725.803375
where:
bonds (distance) C4'-P energy: -113.017
bonds (distance) P-C4' energy: -129.641
flat angles C4'-P-C4' energy: -156.786
flat angles P-C4'-P energy: -115.672
tors. eta vs tors. theta energy: -210.686
Dist. restrs. and SS energy: 5.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -2341.616847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.616847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.102987 (E_RNA)
where:
Base-Base interactions energy: -1651.523
where: short stacking energy: -682.640
Base-Backbone interact. energy: -2.767
local terms energy: -695.813308
where:
bonds (distance) C4'-P energy: -104.875
bonds (distance) P-C4' energy: -142.210
flat angles C4'-P-C4' energy: -156.698
flat angles P-C4'-P energy: -93.604
tors. eta vs tors. theta energy: -198.426
Dist. restrs. and SS energy: 8.486 (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: 1
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -2348.474962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.474962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.195900 (E_RNA)
where:
Base-Base interactions energy: -1649.417
where: short stacking energy: -719.771
Base-Backbone interact. energy: -1.596
local terms energy: -711.183036
where:
bonds (distance) C4'-P energy: -119.986
bonds (distance) P-C4' energy: -116.540
flat angles C4'-P-C4' energy: -152.769
flat angles P-C4'-P energy: -104.373
tors. eta vs tors. theta energy: -217.516
Dist. restrs. and SS energy: 13.721 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -2242.166020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.166020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.912828 (E_RNA)
where:
Base-Base interactions energy: -1567.235
where: short stacking energy: -644.414
Base-Backbone interact. energy: -1.085
local terms energy: -682.592074
where:
bonds (distance) C4'-P energy: -127.157
bonds (distance) P-C4' energy: -114.692
flat angles C4'-P-C4' energy: -139.485
flat angles P-C4'-P energy: -104.235
tors. eta vs tors. theta energy: -197.023
Dist. restrs. and SS energy: 8.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -2124.651059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.651059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.930563 (E_RNA)
where:
Base-Base interactions energy: -1504.617
where: short stacking energy: -607.795
Base-Backbone interact. energy: 0.084
local terms energy: -627.396921
where:
bonds (distance) C4'-P energy: -113.879
bonds (distance) P-C4' energy: -121.812
flat angles C4'-P-C4' energy: -133.515
flat angles P-C4'-P energy: -86.613
tors. eta vs tors. theta energy: -171.577
Dist. restrs. and SS energy: 7.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -1971.730535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.730535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.594361 (E_RNA)
where:
Base-Base interactions energy: -1389.982
where: short stacking energy: -567.319
Base-Backbone interact. energy: -4.914
local terms energy: -601.698805
where:
bonds (distance) C4'-P energy: -115.589
bonds (distance) P-C4' energy: -115.906
flat angles C4'-P-C4' energy: -121.971
flat angles P-C4'-P energy: -80.709
tors. eta vs tors. theta energy: -167.524
Dist. restrs. and SS energy: 24.864 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -2790.334545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.334545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.318710 (E_RNA)
where:
Base-Base interactions energy: -1957.221
where: short stacking energy: -812.356
Base-Backbone interact. energy: -3.499
local terms energy: -832.598812
where:
bonds (distance) C4'-P energy: -135.110
bonds (distance) P-C4' energy: -146.886
flat angles C4'-P-C4' energy: -179.617
flat angles P-C4'-P energy: -117.961
tors. eta vs tors. theta energy: -253.024
Dist. restrs. and SS energy: 2.984 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -2758.188465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.188465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.324365 (E_RNA)
where:
Base-Base interactions energy: -1924.650
where: short stacking energy: -819.921
Base-Backbone interact. energy: -1.963
local terms energy: -835.711151
where:
bonds (distance) C4'-P energy: -144.107
bonds (distance) P-C4' energy: -145.883
flat angles C4'-P-C4' energy: -172.900
flat angles P-C4'-P energy: -122.683
tors. eta vs tors. theta energy: -250.139
Dist. restrs. and SS energy: 4.136 (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: 8
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -2654.068561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.068561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.825515 (E_RNA)
where:
Base-Base interactions energy: -1868.433
where: short stacking energy: -811.066
Base-Backbone interact. energy: -1.247
local terms energy: -791.146069
where:
bonds (distance) C4'-P energy: -139.802
bonds (distance) P-C4' energy: -135.008
flat angles C4'-P-C4' energy: -163.404
flat angles P-C4'-P energy: -114.700
tors. eta vs tors. theta energy: -238.233
Dist. restrs. and SS energy: 6.757 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -2530.262152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.262152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.542924 (E_RNA)
where:
Base-Base interactions energy: -1766.473
where: short stacking energy: -741.949
Base-Backbone interact. energy: -3.643
local terms energy: -765.427103
where:
bonds (distance) C4'-P energy: -133.268
bonds (distance) P-C4' energy: -131.007
flat angles C4'-P-C4' energy: -162.374
flat angles P-C4'-P energy: -102.871
tors. eta vs tors. theta energy: -235.907
Dist. restrs. and SS energy: 5.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -2408.814157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.814157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.344391 (E_RNA)
where:
Base-Base interactions energy: -1694.398
where: short stacking energy: -718.666
Base-Backbone interact. energy: -0.833
local terms energy: -719.113317
where:
bonds (distance) C4'-P energy: -129.453
bonds (distance) P-C4' energy: -140.820
flat angles C4'-P-C4' energy: -150.257
flat angles P-C4'-P energy: -88.747
tors. eta vs tors. theta energy: -209.837
Dist. restrs. and SS energy: 5.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -2394.027615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.027615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.696963 (E_RNA)
where:
Base-Base interactions energy: -1708.232
where: short stacking energy: -717.475
Base-Backbone interact. energy: -1.534
local terms energy: -694.930666
where:
bonds (distance) C4'-P energy: -128.836
bonds (distance) P-C4' energy: -119.942
flat angles C4'-P-C4' energy: -151.120
flat angles P-C4'-P energy: -90.204
tors. eta vs tors. theta energy: -204.828
Dist. restrs. and SS energy: 10.669 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -2285.280509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.280509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.216178 (E_RNA)
where:
Base-Base interactions energy: -1619.327
where: short stacking energy: -657.134
Base-Backbone interact. energy: 0.813
local terms energy: -673.702729
where:
bonds (distance) C4'-P energy: -122.226
bonds (distance) P-C4' energy: -115.157
flat angles C4'-P-C4' energy: -149.628
flat angles P-C4'-P energy: -90.417
tors. eta vs tors. theta energy: -196.274
Dist. restrs. and SS energy: 6.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -2205.792715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.792715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.569298 (E_RNA)
where:
Base-Base interactions energy: -1559.813
where: short stacking energy: -633.594
Base-Backbone interact. energy: -0.110
local terms energy: -657.646379
where:
bonds (distance) C4'-P energy: -115.876
bonds (distance) P-C4' energy: -128.863
flat angles C4'-P-C4' energy: -137.734
flat angles P-C4'-P energy: -95.580
tors. eta vs tors. theta energy: -179.593
Dist. restrs. and SS energy: 11.777 (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: 4
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -2156.987361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.987361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.629290 (E_RNA)
where:
Base-Base interactions energy: -1569.372
where: short stacking energy: -639.968
Base-Backbone interact. energy: -1.304
local terms energy: -593.953961
where:
bonds (distance) C4'-P energy: -84.915
bonds (distance) P-C4' energy: -115.750
flat angles C4'-P-C4' energy: -124.266
flat angles P-C4'-P energy: -88.974
tors. eta vs tors. theta energy: -180.050
Dist. restrs. and SS energy: 7.642 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -1967.595970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.595970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.245286 (E_RNA)
where:
Base-Base interactions energy: -1374.030
where: short stacking energy: -573.371
Base-Backbone interact. energy: -0.251
local terms energy: -616.964835
where:
bonds (distance) C4'-P energy: -118.721
bonds (distance) P-C4' energy: -111.855
flat angles C4'-P-C4' energy: -136.059
flat angles P-C4'-P energy: -75.213
tors. eta vs tors. theta energy: -175.116
Dist. restrs. and SS energy: 23.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -2792.768875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2792.768875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.298880 (E_RNA)
where:
Base-Base interactions energy: -1964.314
where: short stacking energy: -806.285
Base-Backbone interact. energy: -2.615
local terms energy: -828.369522
where:
bonds (distance) C4'-P energy: -152.517
bonds (distance) P-C4' energy: -144.189
flat angles C4'-P-C4' energy: -166.992
flat angles P-C4'-P energy: -121.468
tors. eta vs tors. theta energy: -243.203
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: 2, replica: 10
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -2742.191482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.191482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.939679 (E_RNA)
where:
Base-Base interactions energy: -1926.678
where: short stacking energy: -819.128
Base-Backbone interact. energy: -3.026
local terms energy: -815.235061
where:
bonds (distance) C4'-P energy: -150.680
bonds (distance) P-C4' energy: -144.938
flat angles C4'-P-C4' energy: -164.960
flat angles P-C4'-P energy: -108.056
tors. eta vs tors. theta energy: -246.602
Dist. restrs. and SS energy: 2.748 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -2642.653950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.653950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.276527 (E_RNA)
where:
Base-Base interactions energy: -1830.312
where: short stacking energy: -767.784
Base-Backbone interact. energy: -1.963
local terms energy: -815.001789
where:
bonds (distance) C4'-P energy: -145.221
bonds (distance) P-C4' energy: -158.381
flat angles C4'-P-C4' energy: -169.479
flat angles P-C4'-P energy: -104.496
tors. eta vs tors. theta energy: -237.425
Dist. restrs. and SS energy: 4.623 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -2564.326278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.326278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.050050 (E_RNA)
where:
Base-Base interactions energy: -1820.923
where: short stacking energy: -789.101
Base-Backbone interact. energy: -4.608
local terms energy: -741.518310
where:
bonds (distance) C4'-P energy: -114.920
bonds (distance) P-C4' energy: -126.802
flat angles C4'-P-C4' energy: -157.912
flat angles P-C4'-P energy: -102.169
tors. eta vs tors. theta energy: -239.715
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: 1
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -2445.820945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.820945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.033740 (E_RNA)
where:
Base-Base interactions energy: -1710.083
where: short stacking energy: -711.185
Base-Backbone interact. energy: 1.316
local terms energy: -745.266843
where:
bonds (distance) C4'-P energy: -135.806
bonds (distance) P-C4' energy: -153.093
flat angles C4'-P-C4' energy: -143.374
flat angles P-C4'-P energy: -97.467
tors. eta vs tors. theta energy: -215.527
Dist. restrs. and SS energy: 8.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -2343.072485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.072485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.351042 (E_RNA)
where:
Base-Base interactions energy: -1663.226
where: short stacking energy: -697.917
Base-Backbone interact. energy: -3.134
local terms energy: -683.990885
where:
bonds (distance) C4'-P energy: -122.683
bonds (distance) P-C4' energy: -128.618
flat angles C4'-P-C4' energy: -137.101
flat angles P-C4'-P energy: -98.653
tors. eta vs tors. theta energy: -196.936
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: 462
Temperature: 1.200000
Total energy: -2269.634265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.634265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.270596 (E_RNA)
where:
Base-Base interactions energy: -1632.679
where: short stacking energy: -688.512
Base-Backbone interact. energy: -1.380
local terms energy: -640.211163
where:
bonds (distance) C4'-P energy: -109.992
bonds (distance) P-C4' energy: -120.790
flat angles C4'-P-C4' energy: -136.530
flat angles P-C4'-P energy: -72.183
tors. eta vs tors. theta energy: -200.716
Dist. restrs. and SS energy: 4.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -2237.495355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.495355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.792851 (E_RNA)
where:
Base-Base interactions energy: -1614.451
where: short stacking energy: -668.572
Base-Backbone interact. energy: -0.547
local terms energy: -628.794685
where:
bonds (distance) C4'-P energy: -98.797
bonds (distance) P-C4' energy: -113.396
flat angles C4'-P-C4' energy: -157.168
flat angles P-C4'-P energy: -81.359
tors. eta vs tors. theta energy: -178.075
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: 9, replica: 4
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -2137.441763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.441763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.906914 (E_RNA)
where:
Base-Base interactions energy: -1568.531
where: short stacking energy: -629.389
Base-Backbone interact. energy: 12.805
local terms energy: -591.181160
where:
bonds (distance) C4'-P energy: -111.816
bonds (distance) P-C4' energy: -95.167
flat angles C4'-P-C4' energy: -137.853
flat angles P-C4'-P energy: -66.992
tors. eta vs tors. theta energy: -179.353
Dist. restrs. and SS energy: 9.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -1956.041500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.041500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.709256 (E_RNA)
where:
Base-Base interactions energy: -1394.834
where: short stacking energy: -557.393
Base-Backbone interact. energy: -2.721
local terms energy: -571.153664
where:
bonds (distance) C4'-P energy: -102.922
bonds (distance) P-C4' energy: -100.141
flat angles C4'-P-C4' energy: -147.966
flat angles P-C4'-P energy: -61.740
tors. eta vs tors. theta energy: -158.384
Dist. restrs. and SS energy: 12.668 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -2788.709721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.709721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.885662 (E_RNA)
where:
Base-Base interactions energy: -1961.619
where: short stacking energy: -818.446
Base-Backbone interact. energy: -2.415
local terms energy: -829.852346
where:
bonds (distance) C4'-P energy: -139.383
bonds (distance) P-C4' energy: -149.548
flat angles C4'-P-C4' energy: -169.332
flat angles P-C4'-P energy: -126.417
tors. eta vs tors. theta energy: -245.172
Dist. restrs. and SS energy: 5.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -2775.574521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.574521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.727420 (E_RNA)
where:
Base-Base interactions energy: -1952.568
where: short stacking energy: -832.058
Base-Backbone interact. energy: 0.312
local terms energy: -827.470864
where:
bonds (distance) C4'-P energy: -143.100
bonds (distance) P-C4' energy: -148.567
flat angles C4'-P-C4' energy: -167.173
flat angles P-C4'-P energy: -110.427
tors. eta vs tors. theta energy: -258.204
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: 3, replica: 8
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -2638.257285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.257285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.297150 (E_RNA)
where:
Base-Base interactions energy: -1839.640
where: short stacking energy: -771.138
Base-Backbone interact. energy: -3.116
local terms energy: -800.541670
where:
bonds (distance) C4'-P energy: -135.927
bonds (distance) P-C4' energy: -140.007
flat angles C4'-P-C4' energy: -169.660
flat angles P-C4'-P energy: -118.589
tors. eta vs tors. theta energy: -236.360
Dist. restrs. and SS energy: 5.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -2544.428511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.428511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.828358 (E_RNA)
where:
Base-Base interactions energy: -1791.639
where: short stacking energy: -752.338
Base-Backbone interact. energy: -3.759
local terms energy: -753.430299
where:
bonds (distance) C4'-P energy: -137.019
bonds (distance) P-C4' energy: -122.921
flat angles C4'-P-C4' energy: -164.951
flat angles P-C4'-P energy: -111.968
tors. eta vs tors. theta energy: -216.572
Dist. restrs. and SS energy: 4.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -2426.096249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.096249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.726934 (E_RNA)
where:
Base-Base interactions energy: -1701.652
where: short stacking energy: -721.228
Base-Backbone interact. energy: 7.080
local terms energy: -737.154901
where:
bonds (distance) C4'-P energy: -136.085
bonds (distance) P-C4' energy: -130.492
flat angles C4'-P-C4' energy: -161.234
flat angles P-C4'-P energy: -90.105
tors. eta vs tors. theta energy: -219.239
Dist. restrs. and SS energy: 5.631 (S_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: 463
Temperature: 1.150000
Total energy: -2370.432284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.432284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.049876 (E_RNA)
where:
Base-Base interactions energy: -1653.560
where: short stacking energy: -682.277
Base-Backbone interact. energy: 1.686
local terms energy: -721.175181
where:
bonds (distance) C4'-P energy: -138.605
bonds (distance) P-C4' energy: -126.238
flat angles C4'-P-C4' energy: -155.522
flat angles P-C4'-P energy: -102.472
tors. eta vs tors. theta energy: -198.338
Dist. restrs. and SS energy: 2.618 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -2273.621926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.621926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.291352 (E_RNA)
where:
Base-Base interactions energy: -1618.315
where: short stacking energy: -679.496
Base-Backbone interact. energy: 0.210
local terms energy: -661.186160
where:
bonds (distance) C4'-P energy: -107.194
bonds (distance) P-C4' energy: -123.146
flat angles C4'-P-C4' energy: -144.251
flat angles P-C4'-P energy: -87.038
tors. eta vs tors. theta energy: -199.558
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: 8, replica: 4
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -2238.632496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.632496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.047373 (E_RNA)
where:
Base-Base interactions energy: -1590.462
where: short stacking energy: -658.223
Base-Backbone interact. energy: 2.496
local terms energy: -658.082032
where:
bonds (distance) C4'-P energy: -109.175
bonds (distance) P-C4' energy: -126.022
flat angles C4'-P-C4' energy: -135.589
flat angles P-C4'-P energy: -98.035
tors. eta vs tors. theta energy: -189.262
Dist. restrs. and SS energy: 7.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -2185.030510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.030510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.926532 (E_RNA)
where:
Base-Base interactions energy: -1568.219
where: short stacking energy: -658.043
Base-Backbone interact. energy: -0.912
local terms energy: -630.795418
where:
bonds (distance) C4'-P energy: -124.805
bonds (distance) P-C4' energy: -109.869
flat angles C4'-P-C4' energy: -138.217
flat angles P-C4'-P energy: -76.210
tors. eta vs tors. theta energy: -181.695
Dist. restrs. and SS energy: 14.896 (S_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: 463
Temperature: 1.350000
Total energy: -1954.304273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.304273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.199946 (E_RNA)
where:
Base-Base interactions energy: -1401.742
where: short stacking energy: -584.879
Base-Backbone interact. energy: -1.905
local terms energy: -564.553737
where:
bonds (distance) C4'-P energy: -109.655
bonds (distance) P-C4' energy: -96.711
flat angles C4'-P-C4' energy: -126.181
flat angles P-C4'-P energy: -86.063
tors. eta vs tors. theta energy: -145.944
Dist. restrs. and SS energy: 13.896 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -2792.347839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2792.347839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.874196 (E_RNA)
where:
Base-Base interactions energy: -1935.831
where: short stacking energy: -822.145
Base-Backbone interact. energy: -4.161
local terms energy: -855.882144
where:
bonds (distance) C4'-P energy: -153.768
bonds (distance) P-C4' energy: -155.441
flat angles C4'-P-C4' energy: -172.107
flat angles P-C4'-P energy: -126.624
tors. eta vs tors. theta energy: -247.942
Dist. restrs. and SS energy: 3.526 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -2735.424941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.424941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.967548 (E_RNA)
where:
Base-Base interactions energy: -1906.703
where: short stacking energy: -805.350
Base-Backbone interact. energy: -3.009
local terms energy: -829.255814
where:
bonds (distance) C4'-P energy: -141.916
bonds (distance) P-C4' energy: -158.499
flat angles C4'-P-C4' energy: -163.885
flat angles P-C4'-P energy: -113.042
tors. eta vs tors. theta energy: -251.914
Dist. restrs. and SS energy: 3.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -2657.764809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.764809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.874646 (E_RNA)
where:
Base-Base interactions energy: -1872.254
where: short stacking energy: -765.373
Base-Backbone interact. energy: -3.827
local terms energy: -789.793851
where:
bonds (distance) C4'-P energy: -132.983
bonds (distance) P-C4' energy: -136.987
flat angles C4'-P-C4' energy: -177.633
flat angles P-C4'-P energy: -114.601
tors. eta vs tors. theta energy: -227.590
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: 4, replica: 2
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -2562.132681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.132681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.418575 (E_RNA)
where:
Base-Base interactions energy: -1797.429
where: short stacking energy: -745.003
Base-Backbone interact. energy: -4.812
local terms energy: -764.178305
where:
bonds (distance) C4'-P energy: -131.128
bonds (distance) P-C4' energy: -130.223
flat angles C4'-P-C4' energy: -157.273
flat angles P-C4'-P energy: -113.879
tors. eta vs tors. theta energy: -231.675
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: 5, replica: 1
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -2418.517956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.517956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.341884 (E_RNA)
where:
Base-Base interactions energy: -1708.570
where: short stacking energy: -716.699
Base-Backbone interact. energy: 1.482
local terms energy: -719.253174
where:
bonds (distance) C4'-P energy: -126.244
bonds (distance) P-C4' energy: -109.274
flat angles C4'-P-C4' energy: -158.158
flat angles P-C4'-P energy: -118.897
tors. eta vs tors. theta energy: -206.680
Dist. restrs. and SS energy: 7.824 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -2297.132608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.132608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.593013 (E_RNA)
where:
Base-Base interactions energy: -1584.123
where: short stacking energy: -663.484
Base-Backbone interact. energy: -5.056
local terms energy: -715.414011
where:
bonds (distance) C4'-P energy: -130.632
bonds (distance) P-C4' energy: -121.321
flat angles C4'-P-C4' energy: -150.689
flat angles P-C4'-P energy: -102.436
tors. eta vs tors. theta energy: -210.336
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: 7, replica: 4
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -2292.500945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.500945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.358328 (E_RNA)
where:
Base-Base interactions energy: -1602.961
where: short stacking energy: -660.285
Base-Backbone interact. energy: -1.903
local terms energy: -693.493675
where:
bonds (distance) C4'-P energy: -129.519
bonds (distance) P-C4' energy: -133.306
flat angles C4'-P-C4' energy: -149.486
flat angles P-C4'-P energy: -78.968
tors. eta vs tors. theta energy: -202.214
Dist. restrs. and SS energy: 5.857 (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: 6
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -2226.612954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.612954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.600180 (E_RNA)
where:
Base-Base interactions energy: -1570.169
where: short stacking energy: -661.370
Base-Backbone interact. energy: 6.374
local terms energy: -666.805169
where:
bonds (distance) C4'-P energy: -115.475
bonds (distance) P-C4' energy: -111.861
flat angles C4'-P-C4' energy: -147.552
flat angles P-C4'-P energy: -98.622
tors. eta vs tors. theta energy: -193.294
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: 9, replica: 7
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -2134.873356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.873356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.742492 (E_RNA)
where:
Base-Base interactions energy: -1544.796
where: short stacking energy: -659.296
Base-Backbone interact. energy: 1.801
local terms energy: -595.746970
where:
bonds (distance) C4'-P energy: -115.351
bonds (distance) P-C4' energy: -91.098
flat angles C4'-P-C4' energy: -132.917
flat angles P-C4'-P energy: -70.057
tors. eta vs tors. theta energy: -186.324
Dist. restrs. and SS energy: 3.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -1993.649943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.649943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.454595 (E_RNA)
where:
Base-Base interactions energy: -1387.603
where: short stacking energy: -586.261
Base-Backbone interact. energy: -2.790
local terms energy: -616.060909
where:
bonds (distance) C4'-P energy: -118.316
bonds (distance) P-C4' energy: -117.817
flat angles C4'-P-C4' energy: -142.240
flat angles P-C4'-P energy: -79.965
tors. eta vs tors. theta energy: -157.723
Dist. restrs. and SS energy: 12.805 (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: 3
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -2781.418639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.418639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.983362 (E_RNA)
where:
Base-Base interactions energy: -1956.159
where: short stacking energy: -836.625
Base-Backbone interact. energy: -0.519
local terms energy: -828.305448
where:
bonds (distance) C4'-P energy: -144.734
bonds (distance) P-C4' energy: -147.912
flat angles C4'-P-C4' energy: -175.979
flat angles P-C4'-P energy: -104.487
tors. eta vs tors. theta energy: -255.195
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: 10
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -2747.417464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2747.417464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2751.708910 (E_RNA)
where:
Base-Base interactions energy: -1926.086
where: short stacking energy: -830.071
Base-Backbone interact. energy: -1.498
local terms energy: -824.124773
where:
bonds (distance) C4'-P energy: -157.037
bonds (distance) P-C4' energy: -130.580
flat angles C4'-P-C4' energy: -179.232
flat angles P-C4'-P energy: -104.472
tors. eta vs tors. theta energy: -252.803
Dist. restrs. and SS energy: 4.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -2647.623071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.623071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.531273 (E_RNA)
where:
Base-Base interactions energy: -1866.163
where: short stacking energy: -800.715
Base-Backbone interact. energy: -1.995
local terms energy: -786.373661
where:
bonds (distance) C4'-P energy: -149.416
bonds (distance) P-C4' energy: -128.319
flat angles C4'-P-C4' energy: -155.376
flat angles P-C4'-P energy: -116.802
tors. eta vs tors. theta energy: -236.461
Dist. restrs. and SS energy: 6.908 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -2562.190519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.190519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.765591 (E_RNA)
where:
Base-Base interactions energy: -1783.785
where: short stacking energy: -742.161
Base-Backbone interact. energy: -0.823
local terms energy: -781.157765
where:
bonds (distance) C4'-P energy: -140.539
bonds (distance) P-C4' energy: -141.325
flat angles C4'-P-C4' energy: -158.070
flat angles P-C4'-P energy: -108.956
tors. eta vs tors. theta energy: -232.267
Dist. restrs. and SS energy: 3.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -2433.183991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.183991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.141530 (E_RNA)
where:
Base-Base interactions energy: -1694.800
where: short stacking energy: -716.543
Base-Backbone interact. energy: -2.076
local terms energy: -744.265162
where:
bonds (distance) C4'-P energy: -128.170
bonds (distance) P-C4' energy: -134.151
flat angles C4'-P-C4' energy: -159.018
flat angles P-C4'-P energy: -105.791
tors. eta vs tors. theta energy: -217.136
Dist. restrs. and SS energy: 7.958 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -2348.785923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.785923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.691995 (E_RNA)
where:
Base-Base interactions energy: -1647.049
where: short stacking energy: -696.925
Base-Backbone interact. energy: 0.148
local terms energy: -709.790931
where:
bonds (distance) C4'-P energy: -117.408
bonds (distance) P-C4' energy: -131.230
flat angles C4'-P-C4' energy: -157.898
flat angles P-C4'-P energy: -96.496
tors. eta vs tors. theta energy: -206.759
Dist. restrs. and SS energy: 7.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -2253.157668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.157668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.144043 (E_RNA)
where:
Base-Base interactions energy: -1598.212
where: short stacking energy: -660.845
Base-Backbone interact. energy: -4.262
local terms energy: -657.670437
where:
bonds (distance) C4'-P energy: -124.210
bonds (distance) P-C4' energy: -117.960
flat angles C4'-P-C4' energy: -139.461
flat angles P-C4'-P energy: -83.626
tors. eta vs tors. theta energy: -192.413
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: 8, replica: 6
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -2195.823269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.823269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.806282 (E_RNA)
where:
Base-Base interactions energy: -1564.385
where: short stacking energy: -651.276
Base-Backbone interact. energy: -4.417
local terms energy: -635.004101
where:
bonds (distance) C4'-P energy: -97.124
bonds (distance) P-C4' energy: -119.153
flat angles C4'-P-C4' energy: -137.083
flat angles P-C4'-P energy: -84.785
tors. eta vs tors. theta energy: -196.859
Dist. restrs. and SS energy: 7.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -2117.680997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.680997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.546027 (E_RNA)
where:
Base-Base interactions energy: -1500.909
where: short stacking energy: -640.290
Base-Backbone interact. energy: -4.483
local terms energy: -623.154072
where:
bonds (distance) C4'-P energy: -103.659
bonds (distance) P-C4' energy: -120.620
flat angles C4'-P-C4' energy: -135.483
flat angles P-C4'-P energy: -84.518
tors. eta vs tors. theta energy: -178.873
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: 10, replica: 9
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -2036.973630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.973630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.165051 (E_RNA)
where:
Base-Base interactions energy: -1443.456
where: short stacking energy: -598.316
Base-Backbone interact. energy: -0.144
local terms energy: -602.564838
where:
bonds (distance) C4'-P energy: -101.809
bonds (distance) P-C4' energy: -112.694
flat angles C4'-P-C4' energy: -147.967
flat angles P-C4'-P energy: -79.817
tors. eta vs tors. theta energy: -160.278
Dist. restrs. and SS energy: 9.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -2763.148254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2763.148254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.802773 (E_RNA)
where:
Base-Base interactions energy: -1938.021
where: short stacking energy: -815.814
Base-Backbone interact. energy: 0.006
local terms energy: -828.788248
where:
bonds (distance) C4'-P energy: -143.338
bonds (distance) P-C4' energy: -138.513
flat angles C4'-P-C4' energy: -177.099
flat angles P-C4'-P energy: -121.715
tors. eta vs tors. theta energy: -248.123
Dist. restrs. and SS energy: 3.655 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -2717.238553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.238553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.344021 (E_RNA)
where:
Base-Base interactions energy: -1918.569
where: short stacking energy: -818.301
Base-Backbone interact. energy: 1.157
local terms energy: -805.931525
where:
bonds (distance) C4'-P energy: -135.710
bonds (distance) P-C4' energy: -147.456
flat angles C4'-P-C4' energy: -174.017
flat angles P-C4'-P energy: -114.759
tors. eta vs tors. theta energy: -233.990
Dist. restrs. and SS energy: 6.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -2641.410952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.410952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.380397 (E_RNA)
where:
Base-Base interactions energy: -1838.194
where: short stacking energy: -770.017
Base-Backbone interact. energy: 0.550
local terms energy: -809.736020
where:
bonds (distance) C4'-P energy: -147.469
bonds (distance) P-C4' energy: -136.288
flat angles C4'-P-C4' energy: -167.983
flat angles P-C4'-P energy: -119.323
tors. eta vs tors. theta energy: -238.674
Dist. restrs. and SS energy: 5.969 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -2558.938752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.938752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.044941 (E_RNA)
where:
Base-Base interactions energy: -1782.133
where: short stacking energy: -760.469
Base-Backbone interact. energy: -2.713
local terms energy: -777.199094
where:
bonds (distance) C4'-P energy: -125.830
bonds (distance) P-C4' energy: -140.050
flat angles C4'-P-C4' energy: -164.598
flat angles P-C4'-P energy: -115.357
tors. eta vs tors. theta energy: -231.364
Dist. restrs. and SS energy: 3.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -2416.469745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.469745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.544573 (E_RNA)
where:
Base-Base interactions energy: -1685.495
where: short stacking energy: -707.898
Base-Backbone interact. energy: -1.539
local terms energy: -740.511124
where:
bonds (distance) C4'-P energy: -138.219
bonds (distance) P-C4' energy: -127.913
flat angles C4'-P-C4' energy: -164.865
flat angles P-C4'-P energy: -101.419
tors. eta vs tors. theta energy: -208.095
Dist. restrs. and SS energy: 11.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -2401.412916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.412916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.369063 (E_RNA)
where:
Base-Base interactions energy: -1680.826
where: short stacking energy: -699.168
Base-Backbone interact. energy: -0.860
local terms energy: -726.683280
where:
bonds (distance) C4'-P energy: -125.832
bonds (distance) P-C4' energy: -138.679
flat angles C4'-P-C4' energy: -162.123
flat angles P-C4'-P energy: -88.483
tors. eta vs tors. theta energy: -211.566
Dist. restrs. and SS energy: 6.956 (S_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: 466
Temperature: 1.200000
Total energy: -2280.006231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.006231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.947476 (E_RNA)
where:
Base-Base interactions energy: -1619.320
where: short stacking energy: -685.663
Base-Backbone interact. energy: -2.805
local terms energy: -664.823194
where:
bonds (distance) C4'-P energy: -107.901
bonds (distance) P-C4' energy: -104.169
flat angles C4'-P-C4' energy: -144.116
flat angles P-C4'-P energy: -114.945
tors. eta vs tors. theta energy: -193.693
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: 8, replica: 6
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -2196.383880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.383880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.142299 (E_RNA)
where:
Base-Base interactions energy: -1560.301
where: short stacking energy: -638.318
Base-Backbone interact. energy: -1.751
local terms energy: -647.090704
where:
bonds (distance) C4'-P energy: -113.266
bonds (distance) P-C4' energy: -116.383
flat angles C4'-P-C4' energy: -144.676
flat angles P-C4'-P energy: -93.613
tors. eta vs tors. theta energy: -179.153
Dist. restrs. and SS energy: 12.758 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -2110.300999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.300999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.435737 (E_RNA)
where:
Base-Base interactions energy: -1468.171
where: short stacking energy: -618.494
Base-Backbone interact. energy: 0.238
local terms energy: -651.502614
where:
bonds (distance) C4'-P energy: -118.730
bonds (distance) P-C4' energy: -123.667
flat angles C4'-P-C4' energy: -138.392
flat angles P-C4'-P energy: -93.198
tors. eta vs tors. theta energy: -177.516
Dist. restrs. and SS energy: 9.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -2036.050038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.050038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.177799 (E_RNA)
where:
Base-Base interactions energy: -1450.717
where: short stacking energy: -601.634
Base-Backbone interact. energy: -0.487
local terms energy: -594.973449
where:
bonds (distance) C4'-P energy: -108.553
bonds (distance) P-C4' energy: -121.328
flat angles C4'-P-C4' energy: -127.746
flat angles P-C4'-P energy: -71.267
tors. eta vs tors. theta energy: -166.079
Dist. restrs. and SS energy: 10.128 (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: 3
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -2786.063552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.063552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.586842 (E_RNA)
where:
Base-Base interactions energy: -1966.517
where: short stacking energy: -810.869
Base-Backbone interact. energy: -3.623
local terms energy: -818.446374
where:
bonds (distance) C4'-P energy: -137.744
bonds (distance) P-C4' energy: -154.699
flat angles C4'-P-C4' energy: -162.801
flat angles P-C4'-P energy: -123.044
tors. eta vs tors. theta energy: -240.158
Dist. restrs. and SS energy: 2.523 (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: 467
Temperature: 0.950000
Total energy: -2718.690996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.690996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.052518 (E_RNA)
where:
Base-Base interactions energy: -1928.094
where: short stacking energy: -813.553
Base-Backbone interact. energy: -2.226
local terms energy: -790.732722
where:
bonds (distance) C4'-P energy: -119.575
bonds (distance) P-C4' energy: -146.590
flat angles C4'-P-C4' energy: -168.610
flat angles P-C4'-P energy: -109.227
tors. eta vs tors. theta energy: -246.731
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: 3, replica: 8
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -2632.619562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.619562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.718588 (E_RNA)
where:
Base-Base interactions energy: -1843.920
where: short stacking energy: -773.824
Base-Backbone interact. energy: 0.092
local terms energy: -794.890204
where:
bonds (distance) C4'-P energy: -136.518
bonds (distance) P-C4' energy: -147.177
flat angles C4'-P-C4' energy: -160.094
flat angles P-C4'-P energy: -116.328
tors. eta vs tors. theta energy: -234.774
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: 4, replica: 2
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -2576.716422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.716422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.711821 (E_RNA)
where:
Base-Base interactions energy: -1849.224
where: short stacking energy: -780.972
Base-Backbone interact. energy: -3.983
local terms energy: -727.504754
where:
bonds (distance) C4'-P energy: -110.906
bonds (distance) P-C4' energy: -118.378
flat angles C4'-P-C4' energy: -151.821
flat angles P-C4'-P energy: -113.134
tors. eta vs tors. theta energy: -233.267
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: 5, replica: 1
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -2460.494797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.494797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.641035 (E_RNA)
where:
Base-Base interactions energy: -1731.478
where: short stacking energy: -731.059
Base-Backbone interact. energy: -1.623
local terms energy: -736.540381
where:
bonds (distance) C4'-P energy: -139.088
bonds (distance) P-C4' energy: -129.939
flat angles C4'-P-C4' energy: -162.768
flat angles P-C4'-P energy: -98.896
tors. eta vs tors. theta energy: -205.849
Dist. restrs. and SS energy: 9.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -2378.535581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.535581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.979498 (E_RNA)
where:
Base-Base interactions energy: -1706.014
where: short stacking energy: -683.927
Base-Backbone interact. energy: -2.045
local terms energy: -675.920766
where:
bonds (distance) C4'-P energy: -128.639
bonds (distance) P-C4' energy: -130.859
flat angles C4'-P-C4' energy: -144.022
flat angles P-C4'-P energy: -77.184
tors. eta vs tors. theta energy: -195.217
Dist. restrs. and SS energy: 5.444 (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: 5
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -2253.254547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.254547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.373379 (E_RNA)
where:
Base-Base interactions energy: -1600.110
where: short stacking energy: -673.217
Base-Backbone interact. energy: 3.021
local terms energy: -661.284593
where:
bonds (distance) C4'-P energy: -123.362
bonds (distance) P-C4' energy: -118.346
flat angles C4'-P-C4' energy: -144.174
flat angles P-C4'-P energy: -80.695
tors. eta vs tors. theta energy: -194.708
Dist. restrs. and SS energy: 5.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -2149.161035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.161035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.218431 (E_RNA)
where:
Base-Base interactions energy: -1506.880
where: short stacking energy: -600.169
Base-Backbone interact. energy: 1.869
local terms energy: -659.206671
where:
bonds (distance) C4'-P energy: -105.970
bonds (distance) P-C4' energy: -130.212
flat angles C4'-P-C4' energy: -149.721
flat angles P-C4'-P energy: -94.730
tors. eta vs tors. theta energy: -178.574
Dist. restrs. and SS energy: 15.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -2138.334207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.334207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.847207 (E_RNA)
where:
Base-Base interactions energy: -1511.327
where: short stacking energy: -618.725
Base-Backbone interact. energy: -2.384
local terms energy: -631.136437
where:
bonds (distance) C4'-P energy: -113.579
bonds (distance) P-C4' energy: -103.649
flat angles C4'-P-C4' energy: -133.941
flat angles P-C4'-P energy: -96.537
tors. eta vs tors. theta energy: -183.432
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: 10, replica: 9
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -2003.278656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.278656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.556799 (E_RNA)
where:
Base-Base interactions energy: -1449.438
where: short stacking energy: -598.809
Base-Backbone interact. energy: 4.903
local terms energy: -583.022696
where:
bonds (distance) C4'-P energy: -84.974
bonds (distance) P-C4' energy: -107.500
flat angles C4'-P-C4' energy: -146.427
flat angles P-C4'-P energy: -89.562
tors. eta vs tors. theta energy: -154.560
Dist. restrs. and SS energy: 24.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -2813.671436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.671436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2815.957610 (E_RNA)
where:
Base-Base interactions energy: -1991.268
where: short stacking energy: -835.960
Base-Backbone interact. energy: 3.657
local terms energy: -828.346218
where:
bonds (distance) C4'-P energy: -137.647
bonds (distance) P-C4' energy: -160.635
flat angles C4'-P-C4' energy: -166.388
flat angles P-C4'-P energy: -117.555
tors. eta vs tors. theta energy: -246.121
Dist. restrs. and SS energy: 2.286 (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: 10
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -2718.641509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.641509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.678064 (E_RNA)
where:
Base-Base interactions energy: -1911.604
where: short stacking energy: -818.086
Base-Backbone interact. energy: -2.664
local terms energy: -810.410464
where:
bonds (distance) C4'-P energy: -132.276
bonds (distance) P-C4' energy: -140.662
flat angles C4'-P-C4' energy: -162.542
flat angles P-C4'-P energy: -122.151
tors. eta vs tors. theta energy: -252.779
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: 3, replica: 8
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -2640.215160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.215160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.278422 (E_RNA)
where:
Base-Base interactions energy: -1872.624
where: short stacking energy: -777.907
Base-Backbone interact. energy: -3.327
local terms energy: -771.327304
where:
bonds (distance) C4'-P energy: -133.206
bonds (distance) P-C4' energy: -131.024
flat angles C4'-P-C4' energy: -151.826
flat angles P-C4'-P energy: -117.593
tors. eta vs tors. theta energy: -237.680
Dist. restrs. and SS energy: 7.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -2586.217487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.217487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.419819 (E_RNA)
where:
Base-Base interactions energy: -1804.653
where: short stacking energy: -763.866
Base-Backbone interact. energy: -2.368
local terms energy: -781.399323
where:
bonds (distance) C4'-P energy: -121.980
bonds (distance) P-C4' energy: -132.500
flat angles C4'-P-C4' energy: -163.706
flat angles P-C4'-P energy: -118.865
tors. eta vs tors. theta energy: -244.349
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: 5, replica: 1
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -2443.350182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.350182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.635865 (E_RNA)
where:
Base-Base interactions energy: -1720.876
where: short stacking energy: -717.571
Base-Backbone interact. energy: 1.209
local terms energy: -729.969180
where:
bonds (distance) C4'-P energy: -129.478
bonds (distance) P-C4' energy: -122.179
flat angles C4'-P-C4' energy: -159.030
flat angles P-C4'-P energy: -101.803
tors. eta vs tors. theta energy: -217.480
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: 4
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -2375.502325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.502325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.159951 (E_RNA)
where:
Base-Base interactions energy: -1665.424
where: short stacking energy: -692.064
Base-Backbone interact. energy: -0.656
local terms energy: -720.080112
where:
bonds (distance) C4'-P energy: -130.614
bonds (distance) P-C4' energy: -152.577
flat angles C4'-P-C4' energy: -147.418
flat angles P-C4'-P energy: -89.461
tors. eta vs tors. theta energy: -200.010
Dist. restrs. and SS energy: 10.658 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -2307.287038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.287038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.172130 (E_RNA)
where:
Base-Base interactions energy: -1648.566
where: short stacking energy: -684.163
Base-Backbone interact. energy: -1.016
local terms energy: -672.589854
where:
bonds (distance) C4'-P energy: -109.831
bonds (distance) P-C4' energy: -124.656
flat angles C4'-P-C4' energy: -155.156
flat angles P-C4'-P energy: -85.424
tors. eta vs tors. theta energy: -197.523
Dist. restrs. and SS energy: 14.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -2121.251204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.251204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.122415 (E_RNA)
where:
Base-Base interactions energy: -1486.756
where: short stacking energy: -619.469
Base-Backbone interact. energy: -1.942
local terms energy: -642.425070
where:
bonds (distance) C4'-P energy: -114.125
bonds (distance) P-C4' energy: -108.605
flat angles C4'-P-C4' energy: -138.246
flat angles P-C4'-P energy: -101.699
tors. eta vs tors. theta energy: -179.751
Dist. restrs. and SS energy: 9.871 (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: 6
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -2113.062899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.062899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.781569 (E_RNA)
where:
Base-Base interactions energy: -1518.546
where: short stacking energy: -633.905
Base-Backbone interact. energy: -2.362
local terms energy: -605.874220
where:
bonds (distance) C4'-P energy: -93.392
bonds (distance) P-C4' energy: -113.316
flat angles C4'-P-C4' energy: -135.011
flat angles P-C4'-P energy: -85.543
tors. eta vs tors. theta energy: -178.613
Dist. restrs. and SS energy: 13.719 (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: 9
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -1942.818284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.818284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.798094 (E_RNA)
where:
Base-Base interactions energy: -1394.483
where: short stacking energy: -572.182
Base-Backbone interact. energy: -2.138
local terms energy: -562.177844
where:
bonds (distance) C4'-P energy: -110.108
bonds (distance) P-C4' energy: -117.439
flat angles C4'-P-C4' energy: -115.846
flat angles P-C4'-P energy: -75.277
tors. eta vs tors. theta energy: -143.508
Dist. restrs. and SS energy: 15.980 (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: 3
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -2778.886597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.886597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2780.502577 (E_RNA)
where:
Base-Base interactions energy: -1940.751
where: short stacking energy: -824.015
Base-Backbone interact. energy: -2.759
local terms energy: -836.992676
where:
bonds (distance) C4'-P energy: -149.467
bonds (distance) P-C4' energy: -148.311
flat angles C4'-P-C4' energy: -173.866
flat angles P-C4'-P energy: -120.819
tors. eta vs tors. theta energy: -244.530
Dist. restrs. and SS energy: 1.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -2733.093352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.093352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.157432 (E_RNA)
where:
Base-Base interactions energy: -1916.036
where: short stacking energy: -816.631
Base-Backbone interact. energy: 1.426
local terms energy: -822.546987
where:
bonds (distance) C4'-P energy: -146.702
bonds (distance) P-C4' energy: -140.331
flat angles C4'-P-C4' energy: -168.365
flat angles P-C4'-P energy: -116.924
tors. eta vs tors. theta energy: -250.225
Dist. restrs. and SS energy: 4.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -2673.169797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.169797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.480537 (E_RNA)
where:
Base-Base interactions energy: -1883.612
where: short stacking energy: -815.382
Base-Backbone interact. energy: -0.898
local terms energy: -794.970912
where:
bonds (distance) C4'-P energy: -113.465
bonds (distance) P-C4' energy: -149.858
flat angles C4'-P-C4' energy: -169.477
flat angles P-C4'-P energy: -118.033
tors. eta vs tors. theta energy: -244.138
Dist. restrs. and SS energy: 6.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -2578.107528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.107528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.674096 (E_RNA)
where:
Base-Base interactions energy: -1799.483
where: short stacking energy: -773.830
Base-Backbone interact. energy: -1.400
local terms energy: -782.791330
where:
bonds (distance) C4'-P energy: -134.497
bonds (distance) P-C4' energy: -134.290
flat angles C4'-P-C4' energy: -161.104
flat angles P-C4'-P energy: -111.778
tors. eta vs tors. theta energy: -241.122
Dist. restrs. and SS energy: 5.567 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -2465.424490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.424490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.360389 (E_RNA)
where:
Base-Base interactions energy: -1735.994
where: short stacking energy: -707.483
Base-Backbone interact. energy: -3.567
local terms energy: -733.799559
where:
bonds (distance) C4'-P energy: -136.540
bonds (distance) P-C4' energy: -130.963
flat angles C4'-P-C4' energy: -154.288
flat angles P-C4'-P energy: -99.136
tors. eta vs tors. theta energy: -212.872
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: 4
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -2365.985374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.985374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.718841 (E_RNA)
where:
Base-Base interactions energy: -1632.668
where: short stacking energy: -703.423
Base-Backbone interact. energy: -2.154
local terms energy: -738.896576
where:
bonds (distance) C4'-P energy: -145.136
bonds (distance) P-C4' energy: -127.193
flat angles C4'-P-C4' energy: -160.999
flat angles P-C4'-P energy: -96.023
tors. eta vs tors. theta energy: -209.545
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: 5
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -2244.110856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.110856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.095954 (E_RNA)
where:
Base-Base interactions energy: -1571.878
where: short stacking energy: -651.740
Base-Backbone interact. energy: -0.688
local terms energy: -677.530584
where:
bonds (distance) C4'-P energy: -121.419
bonds (distance) P-C4' energy: -127.148
flat angles C4'-P-C4' energy: -148.726
flat angles P-C4'-P energy: -85.184
tors. eta vs tors. theta energy: -195.054
Dist. restrs. and SS energy: 5.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -2166.877314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.877314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.022359 (E_RNA)
where:
Base-Base interactions energy: -1517.877
where: short stacking energy: -615.439
Base-Backbone interact. energy: -2.999
local terms energy: -652.145963
where:
bonds (distance) C4'-P energy: -128.310
bonds (distance) P-C4' energy: -130.573
flat angles C4'-P-C4' energy: -128.777
flat angles P-C4'-P energy: -83.032
tors. eta vs tors. theta energy: -181.455
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: 9, replica: 7
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -2090.204672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.204672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.766623 (E_RNA)
where:
Base-Base interactions energy: -1493.534
where: short stacking energy: -627.858
Base-Backbone interact. energy: 5.577
local terms energy: -613.809869
where:
bonds (distance) C4'-P energy: -109.875
bonds (distance) P-C4' energy: -100.156
flat angles C4'-P-C4' energy: -149.233
flat angles P-C4'-P energy: -84.791
tors. eta vs tors. theta energy: -169.756
Dist. restrs. and SS energy: 11.562 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -2041.882237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.882237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.342169 (E_RNA)
where:
Base-Base interactions energy: -1435.513
where: short stacking energy: -582.802
Base-Backbone interact. energy: -1.996
local terms energy: -620.833100
where:
bonds (distance) C4'-P energy: -115.329
bonds (distance) P-C4' energy: -121.830
flat angles C4'-P-C4' energy: -129.933
flat angles P-C4'-P energy: -93.644
tors. eta vs tors. theta energy: -160.097
Dist. restrs. and SS energy: 16.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -2748.732481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2748.732481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.359837 (E_RNA)
where:
Base-Base interactions energy: -1909.401
where: short stacking energy: -823.322
Base-Backbone interact. energy: 2.134
local terms energy: -846.092654
where:
bonds (distance) C4'-P energy: -139.790
bonds (distance) P-C4' energy: -158.832
flat angles C4'-P-C4' energy: -173.036
flat angles P-C4'-P energy: -116.756
tors. eta vs tors. theta energy: -257.679
Dist. restrs. and SS energy: 4.627 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -2728.286094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.286094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.244940 (E_RNA)
where:
Base-Base interactions energy: -1937.820
where: short stacking energy: -823.497
Base-Backbone interact. energy: -2.147
local terms energy: -791.277453
where:
bonds (distance) C4'-P energy: -144.929
bonds (distance) P-C4' energy: -130.195
flat angles C4'-P-C4' energy: -150.520
flat angles P-C4'-P energy: -106.865
tors. eta vs tors. theta energy: -258.768
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: 3, replica: 8
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -2639.157596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.157596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.612253 (E_RNA)
where:
Base-Base interactions energy: -1866.218
where: short stacking energy: -785.610
Base-Backbone interact. energy: -1.743
local terms energy: -778.651677
where:
bonds (distance) C4'-P energy: -136.448
bonds (distance) P-C4' energy: -131.482
flat angles C4'-P-C4' energy: -164.755
flat angles P-C4'-P energy: -98.573
tors. eta vs tors. theta energy: -247.394
Dist. restrs. and SS energy: 7.455 (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: 2
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -2627.443931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.443931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.977237 (E_RNA)
where:
Base-Base interactions energy: -1837.576
where: short stacking energy: -821.949
Base-Backbone interact. energy: 1.978
local terms energy: -796.379665
where:
bonds (distance) C4'-P energy: -115.504
bonds (distance) P-C4' energy: -143.238
flat angles C4'-P-C4' energy: -170.680
flat angles P-C4'-P energy: -117.303
tors. eta vs tors. theta energy: -249.655
Dist. restrs. and SS energy: 4.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -2440.016927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.016927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.912780 (E_RNA)
where:
Base-Base interactions energy: -1718.463
where: short stacking energy: -697.629
Base-Backbone interact. energy: -3.616
local terms energy: -723.833380
where:
bonds (distance) C4'-P energy: -131.382
bonds (distance) P-C4' energy: -134.053
flat angles C4'-P-C4' energy: -154.891
flat angles P-C4'-P energy: -97.963
tors. eta vs tors. theta energy: -205.544
Dist. restrs. and SS energy: 5.896 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -2400.256048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.256048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.186162 (E_RNA)
where:
Base-Base interactions energy: -1711.530
where: short stacking energy: -728.275
Base-Backbone interact. energy: 1.317
local terms energy: -698.972930
where:
bonds (distance) C4'-P energy: -119.577
bonds (distance) P-C4' energy: -104.016
flat angles C4'-P-C4' energy: -149.583
flat angles P-C4'-P energy: -105.502
tors. eta vs tors. theta energy: -220.295
Dist. restrs. and SS energy: 8.930 (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: 5
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -2261.562611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.562611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.620940 (E_RNA)
where:
Base-Base interactions energy: -1601.444
where: short stacking energy: -678.479
Base-Backbone interact. energy: -2.427
local terms energy: -670.750159
where:
bonds (distance) C4'-P energy: -119.833
bonds (distance) P-C4' energy: -125.504
flat angles C4'-P-C4' energy: -142.510
flat angles P-C4'-P energy: -86.788
tors. eta vs tors. theta energy: -196.115
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: 8, replica: 6
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -2212.150721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.150721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.295324 (E_RNA)
where:
Base-Base interactions energy: -1584.835
where: short stacking energy: -662.770
Base-Backbone interact. energy: -1.193
local terms energy: -646.267026
where:
bonds (distance) C4'-P energy: -99.259
bonds (distance) P-C4' energy: -121.908
flat angles C4'-P-C4' energy: -135.911
flat angles P-C4'-P energy: -100.929
tors. eta vs tors. theta energy: -188.261
Dist. restrs. and SS energy: 20.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -2050.863365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.863365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.918786 (E_RNA)
where:
Base-Base interactions energy: -1468.441
where: short stacking energy: -591.584
Base-Backbone interact. energy: -2.296
local terms energy: -602.181823
where:
bonds (distance) C4'-P energy: -107.067
bonds (distance) P-C4' energy: -114.376
flat angles C4'-P-C4' energy: -125.923
flat angles P-C4'-P energy: -86.498
tors. eta vs tors. theta energy: -168.318
Dist. restrs. and SS energy: 22.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -2028.101935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.101935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.298318 (E_RNA)
where:
Base-Base interactions energy: -1461.696
where: short stacking energy: -631.462
Base-Backbone interact. energy: -1.379
local terms energy: -575.223368
where:
bonds (distance) C4'-P energy: -95.723
bonds (distance) P-C4' energy: -105.233
flat angles C4'-P-C4' energy: -128.351
flat angles P-C4'-P energy: -63.380
tors. eta vs tors. theta energy: -182.537
Dist. restrs. and SS energy: 10.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -2776.465904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.465904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.028375 (E_RNA)
where:
Base-Base interactions energy: -1952.720
where: short stacking energy: -849.227
Base-Backbone interact. energy: -3.386
local terms energy: -824.923091
where:
bonds (distance) C4'-P energy: -145.428
bonds (distance) P-C4' energy: -139.086
flat angles C4'-P-C4' energy: -171.068
flat angles P-C4'-P energy: -116.795
tors. eta vs tors. theta energy: -252.546
Dist. restrs. and SS energy: 4.562 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -2707.813036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.813036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.816672 (E_RNA)
where:
Base-Base interactions energy: -1905.244
where: short stacking energy: -800.765
Base-Backbone interact. energy: -0.433
local terms energy: -805.140049
where:
bonds (distance) C4'-P energy: -138.801
bonds (distance) P-C4' energy: -158.079
flat angles C4'-P-C4' energy: -159.304
flat angles P-C4'-P energy: -103.781
tors. eta vs tors. theta energy: -245.176
Dist. restrs. and SS energy: 3.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -2640.721471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.721471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.533029 (E_RNA)
where:
Base-Base interactions energy: -1831.758
where: short stacking energy: -784.490
Base-Backbone interact. energy: 0.631
local terms energy: -813.406205
where:
bonds (distance) C4'-P energy: -140.153
bonds (distance) P-C4' energy: -145.892
flat angles C4'-P-C4' energy: -171.980
flat angles P-C4'-P energy: -118.115
tors. eta vs tors. theta energy: -237.267
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: 2
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -2562.584473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.584473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.741719 (E_RNA)
where:
Base-Base interactions energy: -1773.714
where: short stacking energy: -775.501
Base-Backbone interact. energy: -6.297
local terms energy: -785.730952
where:
bonds (distance) C4'-P energy: -126.486
bonds (distance) P-C4' energy: -142.739
flat angles C4'-P-C4' energy: -165.926
flat angles P-C4'-P energy: -114.085
tors. eta vs tors. theta energy: -236.495
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: 5, replica: 4
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -2398.161686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.161686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.975015 (E_RNA)
where:
Base-Base interactions energy: -1687.927
where: short stacking energy: -713.406
Base-Backbone interact. energy: 0.219
local terms energy: -715.267484
where:
bonds (distance) C4'-P energy: -113.594
bonds (distance) P-C4' energy: -135.736
flat angles C4'-P-C4' energy: -161.087
flat angles P-C4'-P energy: -90.040
tors. eta vs tors. theta energy: -214.811
Dist. restrs. and SS energy: 4.813 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -2414.107082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.107082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.076083 (E_RNA)
where:
Base-Base interactions energy: -1716.049
where: short stacking energy: -715.776
Base-Backbone interact. energy: -2.877
local terms energy: -706.150048
where:
bonds (distance) C4'-P energy: -123.075
bonds (distance) P-C4' energy: -136.568
flat angles C4'-P-C4' energy: -146.211
flat angles P-C4'-P energy: -74.675
tors. eta vs tors. theta energy: -225.621
Dist. restrs. and SS energy: 10.969 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -2255.121998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.121998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.288244 (E_RNA)
where:
Base-Base interactions energy: -1605.721
where: short stacking energy: -677.959
Base-Backbone interact. energy: 0.186
local terms energy: -657.753127
where:
bonds (distance) C4'-P energy: -106.793
bonds (distance) P-C4' energy: -122.468
flat angles C4'-P-C4' energy: -146.070
flat angles P-C4'-P energy: -87.042
tors. eta vs tors. theta energy: -195.381
Dist. restrs. and SS energy: 8.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -2198.999003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.999003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.114017 (E_RNA)
where:
Base-Base interactions energy: -1531.847
where: short stacking energy: -629.643
Base-Backbone interact. energy: -0.498
local terms energy: -675.768178
where:
bonds (distance) C4'-P energy: -138.926
bonds (distance) P-C4' energy: -134.664
flat angles C4'-P-C4' energy: -136.858
flat angles P-C4'-P energy: -79.867
tors. eta vs tors. theta energy: -185.452
Dist. restrs. and SS energy: 9.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -2078.586933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.586933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.513364 (E_RNA)
where:
Base-Base interactions energy: -1466.165
where: short stacking energy: -608.787
Base-Backbone interact. energy: -1.704
local terms energy: -618.644299
where:
bonds (distance) C4'-P energy: -104.752
bonds (distance) P-C4' energy: -109.951
flat angles C4'-P-C4' energy: -138.174
flat angles P-C4'-P energy: -85.903
tors. eta vs tors. theta energy: -179.863
Dist. restrs. and SS energy: 7.926 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -2061.252589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.252589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.161728 (E_RNA)
where:
Base-Base interactions energy: -1481.637
where: short stacking energy: -597.141
Base-Backbone interact. energy: -3.115
local terms energy: -585.409496
where:
bonds (distance) C4'-P energy: -98.250
bonds (distance) P-C4' energy: -121.413
flat angles C4'-P-C4' energy: -136.300
flat angles P-C4'-P energy: -58.573
tors. eta vs tors. theta energy: -170.875
Dist. restrs. and SS energy: 8.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -2826.940936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2826.940936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2830.941182 (E_RNA)
where:
Base-Base interactions energy: -1985.699
where: short stacking energy: -845.689
Base-Backbone interact. energy: -2.188
local terms energy: -843.054335
where:
bonds (distance) C4'-P energy: -141.795
bonds (distance) P-C4' energy: -147.891
flat angles C4'-P-C4' energy: -173.797
flat angles P-C4'-P energy: -122.159
tors. eta vs tors. theta energy: -257.412
Dist. restrs. and SS energy: 4.000 (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: 472
Temperature: 0.950000
Total energy: -2752.978371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2752.978371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.802958 (E_RNA)
where:
Base-Base interactions energy: -1928.308
where: short stacking energy: -813.256
Base-Backbone interact. energy: -1.634
local terms energy: -826.860957
where:
bonds (distance) C4'-P energy: -131.537
bonds (distance) P-C4' energy: -137.832
flat angles C4'-P-C4' energy: -178.152
flat angles P-C4'-P energy: -130.158
tors. eta vs tors. theta energy: -249.182
Dist. restrs. and SS energy: 3.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -2643.502875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.502875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.658845 (E_RNA)
where:
Base-Base interactions energy: -1884.150
where: short stacking energy: -813.362
Base-Backbone interact. energy: -2.533
local terms energy: -759.975457
where:
bonds (distance) C4'-P energy: -123.496
bonds (distance) P-C4' energy: -141.166
flat angles C4'-P-C4' energy: -151.924
flat angles P-C4'-P energy: -98.305
tors. eta vs tors. theta energy: -245.084
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: 4, replica: 2
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -2592.523439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.523439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.824804 (E_RNA)
where:
Base-Base interactions energy: -1816.039
where: short stacking energy: -793.621
Base-Backbone interact. energy: -1.329
local terms energy: -779.456292
where:
bonds (distance) C4'-P energy: -142.759
bonds (distance) P-C4' energy: -121.137
flat angles C4'-P-C4' energy: -165.325
flat angles P-C4'-P energy: -110.679
tors. eta vs tors. theta energy: -239.556
Dist. restrs. and SS energy: 4.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -2408.265444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.265444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.475311 (E_RNA)
where:
Base-Base interactions energy: -1709.591
where: short stacking energy: -730.929
Base-Backbone interact. energy: -3.276
local terms energy: -702.608266
where:
bonds (distance) C4'-P energy: -129.105
bonds (distance) P-C4' energy: -121.813
flat angles C4'-P-C4' energy: -149.813
flat angles P-C4'-P energy: -88.758
tors. eta vs tors. theta energy: -213.119
Dist. restrs. and SS energy: 7.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -2435.849932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.849932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.500245 (E_RNA)
where:
Base-Base interactions energy: -1736.834
where: short stacking energy: -752.467
Base-Backbone interact. energy: -1.513
local terms energy: -705.153413
where:
bonds (distance) C4'-P energy: -118.999
bonds (distance) P-C4' energy: -122.773
flat angles C4'-P-C4' energy: -148.067
flat angles P-C4'-P energy: -91.346
tors. eta vs tors. theta energy: -223.969
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: 7, replica: 5
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -2273.859935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.859935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.889958 (E_RNA)
where:
Base-Base interactions energy: -1590.806
where: short stacking energy: -651.650
Base-Backbone interact. energy: 2.636
local terms energy: -691.719509
where:
bonds (distance) C4'-P energy: -127.900
bonds (distance) P-C4' energy: -128.105
flat angles C4'-P-C4' energy: -147.347
flat angles P-C4'-P energy: -95.302
tors. eta vs tors. theta energy: -193.065
Dist. restrs. and SS energy: 6.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -2151.329279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.329279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.138028 (E_RNA)
where:
Base-Base interactions energy: -1522.904
where: short stacking energy: -645.886
Base-Backbone interact. energy: -1.318
local terms energy: -637.915191
where:
bonds (distance) C4'-P energy: -117.948
bonds (distance) P-C4' energy: -124.556
flat angles C4'-P-C4' energy: -129.154
flat angles P-C4'-P energy: -80.655
tors. eta vs tors. theta energy: -185.602
Dist. restrs. and SS energy: 10.809 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -2047.707294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.707294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.602879 (E_RNA)
where:
Base-Base interactions energy: -1450.875
where: short stacking energy: -596.314
Base-Backbone interact. energy: 3.472
local terms energy: -610.199723
where:
bonds (distance) C4'-P energy: -101.438
bonds (distance) P-C4' energy: -116.899
flat angles C4'-P-C4' energy: -146.114
flat angles P-C4'-P energy: -80.387
tors. eta vs tors. theta energy: -165.362
Dist. restrs. and SS energy: 9.896 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -2011.816084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.816084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.343541 (E_RNA)
where:
Base-Base interactions energy: -1445.689
where: short stacking energy: -601.543
Base-Backbone interact. energy: -3.386
local terms energy: -583.268946
where:
bonds (distance) C4'-P energy: -118.827
bonds (distance) P-C4' energy: -115.671
flat angles C4'-P-C4' energy: -113.456
flat angles P-C4'-P energy: -66.489
tors. eta vs tors. theta energy: -168.825
Dist. restrs. and SS energy: 20.527 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -2807.299834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.299834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.073237 (E_RNA)
where:
Base-Base interactions energy: -1988.186
where: short stacking energy: -857.314
Base-Backbone interact. energy: -2.953
local terms energy: -820.934445
where:
bonds (distance) C4'-P energy: -133.353
bonds (distance) P-C4' energy: -148.678
flat angles C4'-P-C4' energy: -164.868
flat angles P-C4'-P energy: -107.342
tors. eta vs tors. theta energy: -266.693
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: 3
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -2741.046982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.046982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.666732 (E_RNA)
where:
Base-Base interactions energy: -1941.067
where: short stacking energy: -815.460
Base-Backbone interact. energy: -2.490
local terms energy: -801.109975
where:
bonds (distance) C4'-P energy: -123.684
bonds (distance) P-C4' energy: -150.812
flat angles C4'-P-C4' energy: -166.613
flat angles P-C4'-P energy: -106.464
tors. eta vs tors. theta energy: -253.537
Dist. restrs. and SS energy: 3.620 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -2649.828822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.828822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.132821 (E_RNA)
where:
Base-Base interactions energy: -1856.720
where: short stacking energy: -784.925
Base-Backbone interact. energy: -4.970
local terms energy: -791.442463
where:
bonds (distance) C4'-P energy: -130.508
bonds (distance) P-C4' energy: -128.323
flat angles C4'-P-C4' energy: -166.448
flat angles P-C4'-P energy: -123.924
tors. eta vs tors. theta energy: -242.240
Dist. restrs. and SS energy: 3.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -2612.664310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.664310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.528783 (E_RNA)
where:
Base-Base interactions energy: -1845.539
where: short stacking energy: -793.941
Base-Backbone interact. energy: 2.456
local terms energy: -776.445938
where:
bonds (distance) C4'-P energy: -120.731
bonds (distance) P-C4' energy: -130.062
flat angles C4'-P-C4' energy: -164.455
flat angles P-C4'-P energy: -120.712
tors. eta vs tors. theta energy: -240.487
Dist. restrs. and SS energy: 6.864 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -2420.746333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.746333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.933667 (E_RNA)
where:
Base-Base interactions energy: -1707.192
where: short stacking energy: -684.112
Base-Backbone interact. energy: -3.227
local terms energy: -719.515168
where:
bonds (distance) C4'-P energy: -128.571
bonds (distance) P-C4' energy: -136.200
flat angles C4'-P-C4' energy: -151.742
flat angles P-C4'-P energy: -98.612
tors. eta vs tors. theta energy: -204.391
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: 6, replica: 1
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -2358.539530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.539530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.224664 (E_RNA)
where:
Base-Base interactions energy: -1691.696
where: short stacking energy: -700.471
Base-Backbone interact. energy: 10.644
local terms energy: -687.173216
where:
bonds (distance) C4'-P energy: -120.492
bonds (distance) P-C4' energy: -127.984
flat angles C4'-P-C4' energy: -145.467
flat angles P-C4'-P energy: -81.556
tors. eta vs tors. theta energy: -211.674
Dist. restrs. and SS energy: 9.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -2289.203207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.203207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.884753 (E_RNA)
where:
Base-Base interactions energy: -1604.620
where: short stacking energy: -668.744
Base-Backbone interact. energy: -0.756
local terms energy: -688.508258
where:
bonds (distance) C4'-P energy: -125.096
bonds (distance) P-C4' energy: -127.469
flat angles C4'-P-C4' energy: -143.225
flat angles P-C4'-P energy: -91.031
tors. eta vs tors. theta energy: -201.686
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: 8, replica: 6
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -2157.400928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.400928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.096767 (E_RNA)
where:
Base-Base interactions energy: -1544.857
where: short stacking energy: -616.038
Base-Backbone interact. energy: -0.236
local terms energy: -625.004189
where:
bonds (distance) C4'-P energy: -117.454
bonds (distance) P-C4' energy: -114.608
flat angles C4'-P-C4' energy: -135.566
flat angles P-C4'-P energy: -81.546
tors. eta vs tors. theta energy: -175.831
Dist. restrs. and SS energy: 12.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -2031.805155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.805155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.299254 (E_RNA)
where:
Base-Base interactions energy: -1471.231
where: short stacking energy: -588.393
Base-Backbone interact. energy: -3.184
local terms energy: -563.884041
where:
bonds (distance) C4'-P energy: -108.366
bonds (distance) P-C4' energy: -102.210
flat angles C4'-P-C4' energy: -112.646
flat angles P-C4'-P energy: -100.058
tors. eta vs tors. theta energy: -140.604
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: 10, replica: 9
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -2040.010267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.010267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.250028 (E_RNA)
where:
Base-Base interactions energy: -1449.476
where: short stacking energy: -605.425
Base-Backbone interact. energy: -3.877
local terms energy: -604.896969
where:
bonds (distance) C4'-P energy: -105.190
bonds (distance) P-C4' energy: -112.877
flat angles C4'-P-C4' energy: -129.235
flat angles P-C4'-P energy: -71.768
tors. eta vs tors. theta energy: -185.827
Dist. restrs. and SS energy: 18.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -2781.753893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.753893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.349566 (E_RNA)
where:
Base-Base interactions energy: -1933.787
where: short stacking energy: -820.956
Base-Backbone interact. energy: -2.507
local terms energy: -852.055443
where:
bonds (distance) C4'-P energy: -148.026
bonds (distance) P-C4' energy: -138.762
flat angles C4'-P-C4' energy: -187.831
flat angles P-C4'-P energy: -121.086
tors. eta vs tors. theta energy: -256.351
Dist. restrs. and SS energy: 6.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -2764.162214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.162214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.343950 (E_RNA)
where:
Base-Base interactions energy: -1951.741
where: short stacking energy: -849.970
Base-Backbone interact. energy: -2.860
local terms energy: -812.742036
where:
bonds (distance) C4'-P energy: -151.367
bonds (distance) P-C4' energy: -137.067
flat angles C4'-P-C4' energy: -159.614
flat angles P-C4'-P energy: -112.068
tors. eta vs tors. theta energy: -252.626
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: 3, replica: 2
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -2630.679401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.679401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.654252 (E_RNA)
where:
Base-Base interactions energy: -1832.028
where: short stacking energy: -793.325
Base-Backbone interact. energy: -2.654
local terms energy: -799.971861
where:
bonds (distance) C4'-P energy: -132.746
bonds (distance) P-C4' energy: -131.148
flat angles C4'-P-C4' energy: -173.364
flat angles P-C4'-P energy: -122.124
tors. eta vs tors. theta energy: -240.590
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: 4, replica: 8
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -2587.676832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.676832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.768066 (E_RNA)
where:
Base-Base interactions energy: -1845.811
where: short stacking energy: -778.217
Base-Backbone interact. energy: -7.016
local terms energy: -738.940539
where:
bonds (distance) C4'-P energy: -120.685
bonds (distance) P-C4' energy: -123.491
flat angles C4'-P-C4' energy: -164.684
flat angles P-C4'-P energy: -101.779
tors. eta vs tors. theta energy: -228.302
Dist. restrs. and SS energy: 4.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -2419.090012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.090012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.253206 (E_RNA)
where:
Base-Base interactions energy: -1683.375
where: short stacking energy: -692.575
Base-Backbone interact. energy: -6.990
local terms energy: -735.888381
where:
bonds (distance) C4'-P energy: -123.887
bonds (distance) P-C4' energy: -137.205
flat angles C4'-P-C4' energy: -159.835
flat angles P-C4'-P energy: -99.453
tors. eta vs tors. theta energy: -215.508
Dist. restrs. and SS energy: 7.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -2372.145109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.145109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.375156 (E_RNA)
where:
Base-Base interactions energy: -1711.736
where: short stacking energy: -707.440
Base-Backbone interact. energy: -0.664
local terms energy: -668.975342
where:
bonds (distance) C4'-P energy: -107.800
bonds (distance) P-C4' energy: -117.539
flat angles C4'-P-C4' energy: -148.650
flat angles P-C4'-P energy: -93.652
tors. eta vs tors. theta energy: -201.335
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: 7, replica: 5
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -2295.059665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.059665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.196601 (E_RNA)
where:
Base-Base interactions energy: -1615.308
where: short stacking energy: -698.376
Base-Backbone interact. energy: -0.756
local terms energy: -687.132606
where:
bonds (distance) C4'-P energy: -132.941
bonds (distance) P-C4' energy: -128.567
flat angles C4'-P-C4' energy: -146.603
flat angles P-C4'-P energy: -79.476
tors. eta vs tors. theta energy: -199.546
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: 8, replica: 6
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -2178.099126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.099126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.920357 (E_RNA)
where:
Base-Base interactions energy: -1547.044
where: short stacking energy: -633.345
Base-Backbone interact. energy: -4.002
local terms energy: -636.874378
where:
bonds (distance) C4'-P energy: -116.115
bonds (distance) P-C4' energy: -104.910
flat angles C4'-P-C4' energy: -143.584
flat angles P-C4'-P energy: -95.440
tors. eta vs tors. theta energy: -176.826
Dist. restrs. and SS energy: 9.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -2127.723523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.723523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.762898 (E_RNA)
where:
Base-Base interactions energy: -1486.924
where: short stacking energy: -604.166
Base-Backbone interact. energy: -2.709
local terms energy: -644.130248
where:
bonds (distance) C4'-P energy: -123.703
bonds (distance) P-C4' energy: -121.076
flat angles C4'-P-C4' energy: -131.756
flat angles P-C4'-P energy: -97.523
tors. eta vs tors. theta energy: -170.073
Dist. restrs. and SS energy: 6.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -1956.931158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.931158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.898639 (E_RNA)
where:
Base-Base interactions energy: -1383.097
where: short stacking energy: -560.513
Base-Backbone interact. energy: -1.083
local terms energy: -586.718421
where:
bonds (distance) C4'-P energy: -100.032
bonds (distance) P-C4' energy: -134.089
flat angles C4'-P-C4' energy: -126.983
flat angles P-C4'-P energy: -71.886
tors. eta vs tors. theta energy: -153.729
Dist. restrs. and SS energy: 13.967 (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: 3
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -2791.653650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.653650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.476599 (E_RNA)
where:
Base-Base interactions energy: -1974.958
where: short stacking energy: -832.060
Base-Backbone interact. energy: -2.269
local terms energy: -817.249799
where:
bonds (distance) C4'-P energy: -137.765
bonds (distance) P-C4' energy: -145.279
flat angles C4'-P-C4' energy: -167.289
flat angles P-C4'-P energy: -122.989
tors. eta vs tors. theta energy: -243.927
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: 2, replica: 10
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -2703.724846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.724846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.547673 (E_RNA)
where:
Base-Base interactions energy: -1886.462
where: short stacking energy: -805.054
Base-Backbone interact. energy: -2.583
local terms energy: -818.503086
where:
bonds (distance) C4'-P energy: -144.227
bonds (distance) P-C4' energy: -134.802
flat angles C4'-P-C4' energy: -160.593
flat angles P-C4'-P energy: -119.964
tors. eta vs tors. theta energy: -258.916
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: 3, replica: 2
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -2646.592410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.592410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.325547 (E_RNA)
where:
Base-Base interactions energy: -1850.715
where: short stacking energy: -764.309
Base-Backbone interact. energy: -6.094
local terms energy: -792.516052
where:
bonds (distance) C4'-P energy: -135.226
bonds (distance) P-C4' energy: -130.897
flat angles C4'-P-C4' energy: -171.108
flat angles P-C4'-P energy: -119.565
tors. eta vs tors. theta energy: -235.721
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: 4, replica: 8
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -2607.569852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.569852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.019890 (E_RNA)
where:
Base-Base interactions energy: -1840.886
where: short stacking energy: -780.934
Base-Backbone interact. energy: -0.673
local terms energy: -770.461128
where:
bonds (distance) C4'-P energy: -124.564
bonds (distance) P-C4' energy: -138.297
flat angles C4'-P-C4' energy: -169.397
flat angles P-C4'-P energy: -102.428
tors. eta vs tors. theta energy: -235.775
Dist. restrs. and SS energy: 4.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -2451.058213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.058213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.872814 (E_RNA)
where:
Base-Base interactions energy: -1711.151
where: short stacking energy: -727.970
Base-Backbone interact. energy: -3.087
local terms energy: -743.635236
where:
bonds (distance) C4'-P energy: -136.755
bonds (distance) P-C4' energy: -130.668
flat angles C4'-P-C4' energy: -160.202
flat angles P-C4'-P energy: -111.147
tors. eta vs tors. theta energy: -204.864
Dist. restrs. and SS energy: 6.815 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -2423.231609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.231609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.766335 (E_RNA)
where:
Base-Base interactions energy: -1730.131
where: short stacking energy: -701.382
Base-Backbone interact. energy: 5.045
local terms energy: -706.680664
where:
bonds (distance) C4'-P energy: -113.148
bonds (distance) P-C4' energy: -130.635
flat angles C4'-P-C4' energy: -149.861
flat angles P-C4'-P energy: -114.147
tors. eta vs tors. theta energy: -198.890
Dist. restrs. and SS energy: 8.535 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -2296.862295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.862295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.987959 (E_RNA)
where:
Base-Base interactions energy: -1611.832
where: short stacking energy: -679.433
Base-Backbone interact. energy: -2.751
local terms energy: -689.404680
where:
bonds (distance) C4'-P energy: -120.324
bonds (distance) P-C4' energy: -124.441
flat angles C4'-P-C4' energy: -141.367
flat angles P-C4'-P energy: -95.614
tors. eta vs tors. theta energy: -207.659
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: 6
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -2226.885567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.885567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.922505 (E_RNA)
where:
Base-Base interactions energy: -1584.124
where: short stacking energy: -661.915
Base-Backbone interact. energy: -3.127
local terms energy: -648.670933
where:
bonds (distance) C4'-P energy: -115.715
bonds (distance) P-C4' energy: -117.602
flat angles C4'-P-C4' energy: -150.556
flat angles P-C4'-P energy: -81.870
tors. eta vs tors. theta energy: -182.928
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: 9
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -2093.276286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.276286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.764380 (E_RNA)
where:
Base-Base interactions energy: -1487.811
where: short stacking energy: -618.155
Base-Backbone interact. energy: 0.041
local terms energy: -613.994791
where:
bonds (distance) C4'-P energy: -117.239
bonds (distance) P-C4' energy: -95.240
flat angles C4'-P-C4' energy: -156.127
flat angles P-C4'-P energy: -57.957
tors. eta vs tors. theta energy: -187.432
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: 10, replica: 7
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -1993.517395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.517395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.490854 (E_RNA)
where:
Base-Base interactions energy: -1403.897
where: short stacking energy: -570.929
Base-Backbone interact. energy: -3.850
local terms energy: -597.743623
where:
bonds (distance) C4'-P energy: -115.994
bonds (distance) P-C4' energy: -103.479
flat angles C4'-P-C4' energy: -129.211
flat angles P-C4'-P energy: -89.672
tors. eta vs tors. theta energy: -159.386
Dist. restrs. and SS energy: 11.973 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -2801.197903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2801.197903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.527813 (E_RNA)
where:
Base-Base interactions energy: -1972.310
where: short stacking energy: -831.054
Base-Backbone interact. energy: -1.009
local terms energy: -831.209244
where:
bonds (distance) C4'-P energy: -142.609
bonds (distance) P-C4' energy: -149.035
flat angles C4'-P-C4' energy: -162.176
flat angles P-C4'-P energy: -128.928
tors. eta vs tors. theta energy: -248.461
Dist. restrs. and SS energy: 3.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -2739.922188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.922188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.108011 (E_RNA)
where:
Base-Base interactions energy: -1919.675
where: short stacking energy: -816.865
Base-Backbone interact. energy: -1.093
local terms energy: -823.340477
where:
bonds (distance) C4'-P energy: -134.168
bonds (distance) P-C4' energy: -149.025
flat angles C4'-P-C4' energy: -168.502
flat angles P-C4'-P energy: -115.707
tors. eta vs tors. theta energy: -255.937
Dist. restrs. and SS energy: 4.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -2627.318664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.318664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.458381 (E_RNA)
where:
Base-Base interactions energy: -1854.610
where: short stacking energy: -777.961
Base-Backbone interact. energy: -1.242
local terms energy: -776.606791
where:
bonds (distance) C4'-P energy: -143.968
bonds (distance) P-C4' energy: -129.109
flat angles C4'-P-C4' energy: -162.852
flat angles P-C4'-P energy: -112.205
tors. eta vs tors. theta energy: -228.473
Dist. restrs. and SS energy: 5.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -2551.200873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.200873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.118368 (E_RNA)
where:
Base-Base interactions energy: -1778.816
where: short stacking energy: -751.733
Base-Backbone interact. energy: -3.314
local terms energy: -771.987946
where:
bonds (distance) C4'-P energy: -120.247
bonds (distance) P-C4' energy: -140.124
flat angles C4'-P-C4' energy: -174.798
flat angles P-C4'-P energy: -109.328
tors. eta vs tors. theta energy: -227.492
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: 5, replica: 1
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -2422.154215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.154215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.558634 (E_RNA)
where:
Base-Base interactions energy: -1728.639
where: short stacking energy: -697.753
Base-Backbone interact. energy: 0.176
local terms energy: -702.095757
where:
bonds (distance) C4'-P energy: -122.275
bonds (distance) P-C4' energy: -128.554
flat angles C4'-P-C4' energy: -160.842
flat angles P-C4'-P energy: -87.181
tors. eta vs tors. theta energy: -203.244
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: 6, replica: 4
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -2334.544430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.544430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.420216 (E_RNA)
where:
Base-Base interactions energy: -1632.574
where: short stacking energy: -678.351
Base-Backbone interact. energy: -2.061
local terms energy: -705.785021
where:
bonds (distance) C4'-P energy: -110.313
bonds (distance) P-C4' energy: -143.984
flat angles C4'-P-C4' energy: -151.750
flat angles P-C4'-P energy: -98.391
tors. eta vs tors. theta energy: -201.348
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: 7, replica: 5
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -2288.944937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.944937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.267084 (E_RNA)
where:
Base-Base interactions energy: -1599.308
where: short stacking energy: -654.383
Base-Backbone interact. energy: 3.971
local terms energy: -701.929793
where:
bonds (distance) C4'-P energy: -126.874
bonds (distance) P-C4' energy: -136.015
flat angles C4'-P-C4' energy: -153.998
flat angles P-C4'-P energy: -90.974
tors. eta vs tors. theta energy: -194.068
Dist. restrs. and SS energy: 8.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -2221.047032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.047032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.027026 (E_RNA)
where:
Base-Base interactions energy: -1577.878
where: short stacking energy: -657.719
Base-Backbone interact. energy: -0.652
local terms energy: -655.497049
where:
bonds (distance) C4'-P energy: -118.321
bonds (distance) P-C4' energy: -121.173
flat angles C4'-P-C4' energy: -143.766
flat angles P-C4'-P energy: -84.490
tors. eta vs tors. theta energy: -187.747
Dist. restrs. and SS energy: 12.980 (S_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: 476
Temperature: 1.300000
Total energy: -2146.971595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.971595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.588624 (E_RNA)
where:
Base-Base interactions energy: -1501.484
where: short stacking energy: -650.548
Base-Backbone interact. energy: -4.692
local terms energy: -648.412162
where:
bonds (distance) C4'-P energy: -102.306
bonds (distance) P-C4' energy: -116.883
flat angles C4'-P-C4' energy: -150.578
flat angles P-C4'-P energy: -82.140
tors. eta vs tors. theta energy: -196.504
Dist. restrs. and SS energy: 7.617 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -1973.972267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.972267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.170386 (E_RNA)
where:
Base-Base interactions energy: -1441.801
where: short stacking energy: -572.267
Base-Backbone interact. energy: -2.908
local terms energy: -542.460727
where:
bonds (distance) C4'-P energy: -83.805
bonds (distance) P-C4' energy: -104.268
flat angles C4'-P-C4' energy: -129.659
flat angles P-C4'-P energy: -70.905
tors. eta vs tors. theta energy: -153.824
Dist. restrs. and SS energy: 13.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -2804.725758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2804.725758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.305377 (E_RNA)
where:
Base-Base interactions energy: -1963.199
where: short stacking energy: -818.189
Base-Backbone interact. energy: -3.503
local terms energy: -842.603651
where:
bonds (distance) C4'-P energy: -145.458
bonds (distance) P-C4' energy: -150.528
flat angles C4'-P-C4' energy: -175.052
flat angles P-C4'-P energy: -121.329
tors. eta vs tors. theta energy: -250.237
Dist. restrs. and SS energy: 4.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -2758.213305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.213305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.538592 (E_RNA)
where:
Base-Base interactions energy: -1949.300
where: short stacking energy: -835.925
Base-Backbone interact. energy: -0.451
local terms energy: -810.787287
where:
bonds (distance) C4'-P energy: -120.989
bonds (distance) P-C4' energy: -152.159
flat angles C4'-P-C4' energy: -169.758
flat angles P-C4'-P energy: -111.015
tors. eta vs tors. theta energy: -256.867
Dist. restrs. and SS energy: 2.325 (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: 8
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -2627.474426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.474426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.438599 (E_RNA)
where:
Base-Base interactions energy: -1835.359
where: short stacking energy: -765.349
Base-Backbone interact. energy: -0.369
local terms energy: -796.710903
where:
bonds (distance) C4'-P energy: -140.945
bonds (distance) P-C4' energy: -144.311
flat angles C4'-P-C4' energy: -167.144
flat angles P-C4'-P energy: -109.255
tors. eta vs tors. theta energy: -235.056
Dist. restrs. and SS energy: 4.964 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -2575.038119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.038119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.910980 (E_RNA)
where:
Base-Base interactions energy: -1806.116
where: short stacking energy: -766.083
Base-Backbone interact. energy: -5.055
local terms energy: -768.740739
where:
bonds (distance) C4'-P energy: -134.099
bonds (distance) P-C4' energy: -147.708
flat angles C4'-P-C4' energy: -158.172
flat angles P-C4'-P energy: -94.100
tors. eta vs tors. theta energy: -234.663
Dist. restrs. and SS energy: 4.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -2435.300680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.300680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.384232 (E_RNA)
where:
Base-Base interactions energy: -1715.048
where: short stacking energy: -709.244
Base-Backbone interact. energy: -0.127
local terms energy: -726.208953
where:
bonds (distance) C4'-P energy: -122.082
bonds (distance) P-C4' energy: -130.688
flat angles C4'-P-C4' energy: -158.409
flat angles P-C4'-P energy: -103.212
tors. eta vs tors. theta energy: -211.818
Dist. restrs. and SS energy: 6.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -2367.909181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.909181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.379769 (E_RNA)
where:
Base-Base interactions energy: -1684.203
where: short stacking energy: -688.559
Base-Backbone interact. energy: 2.780
local terms energy: -693.956848
where:
bonds (distance) C4'-P energy: -106.109
bonds (distance) P-C4' energy: -135.131
flat angles C4'-P-C4' energy: -153.840
flat angles P-C4'-P energy: -96.116
tors. eta vs tors. theta energy: -202.762
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: 7, replica: 5
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -2323.133098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.133098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.799315 (E_RNA)
where:
Base-Base interactions energy: -1657.016
where: short stacking energy: -727.959
Base-Backbone interact. energy: 3.167
local terms energy: -673.950076
where:
bonds (distance) C4'-P energy: -84.978
bonds (distance) P-C4' energy: -122.592
flat angles C4'-P-C4' energy: -147.962
flat angles P-C4'-P energy: -102.689
tors. eta vs tors. theta energy: -215.729
Dist. restrs. and SS energy: 4.666 (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: 9
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -2201.618759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.618759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.833297 (E_RNA)
where:
Base-Base interactions energy: -1545.947
where: short stacking energy: -646.702
Base-Backbone interact. energy: 1.201
local terms energy: -668.087496
where:
bonds (distance) C4'-P energy: -127.715
bonds (distance) P-C4' energy: -110.745
flat angles C4'-P-C4' energy: -160.099
flat angles P-C4'-P energy: -89.272
tors. eta vs tors. theta energy: -180.257
Dist. restrs. and SS energy: 11.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -2119.230787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.230787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.011642 (E_RNA)
where:
Base-Base interactions energy: -1502.545
where: short stacking energy: -624.214
Base-Backbone interact. energy: -3.602
local terms energy: -622.865005
where:
bonds (distance) C4'-P energy: -109.278
bonds (distance) P-C4' energy: -127.014
flat angles C4'-P-C4' energy: -132.482
flat angles P-C4'-P energy: -87.983
tors. eta vs tors. theta energy: -166.107
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: 7
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -1941.979107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.979107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.646824 (E_RNA)
where:
Base-Base interactions energy: -1424.245
where: short stacking energy: -567.273
Base-Backbone interact. energy: 1.740
local terms energy: -539.141330
where:
bonds (distance) C4'-P energy: -115.222
bonds (distance) P-C4' energy: -93.967
flat angles C4'-P-C4' energy: -130.501
flat angles P-C4'-P energy: -60.682
tors. eta vs tors. theta energy: -138.770
Dist. restrs. and SS energy: 19.668 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -2818.925103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.925103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2822.005014 (E_RNA)
where:
Base-Base interactions energy: -1987.230
where: short stacking energy: -831.973
Base-Backbone interact. energy: -2.739
local terms energy: -832.036040
where:
bonds (distance) C4'-P energy: -141.021
bonds (distance) P-C4' energy: -150.785
flat angles C4'-P-C4' energy: -166.638
flat angles P-C4'-P energy: -123.242
tors. eta vs tors. theta energy: -250.350
Dist. restrs. and SS energy: 3.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -2752.283268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2752.283268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.566238 (E_RNA)
where:
Base-Base interactions energy: -1931.367
where: short stacking energy: -842.235
Base-Backbone interact. energy: -1.231
local terms energy: -823.967911
where:
bonds (distance) C4'-P energy: -134.042
bonds (distance) P-C4' energy: -149.261
flat angles C4'-P-C4' energy: -166.064
flat angles P-C4'-P energy: -115.927
tors. eta vs tors. theta energy: -258.675
Dist. restrs. and SS energy: 4.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -2647.475508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.475508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.090744 (E_RNA)
where:
Base-Base interactions energy: -1862.265
where: short stacking energy: -771.646
Base-Backbone interact. energy: -0.937
local terms energy: -787.888208
where:
bonds (distance) C4'-P energy: -130.279
bonds (distance) P-C4' energy: -145.657
flat angles C4'-P-C4' energy: -161.706
flat angles P-C4'-P energy: -116.004
tors. eta vs tors. theta energy: -234.241
Dist. restrs. and SS energy: 3.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -2584.751695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.751695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.488285 (E_RNA)
where:
Base-Base interactions energy: -1813.116
where: short stacking energy: -750.171
Base-Backbone interact. energy: -1.816
local terms energy: -774.555831
where:
bonds (distance) C4'-P energy: -124.283
bonds (distance) P-C4' energy: -141.980
flat angles C4'-P-C4' energy: -165.207
flat angles P-C4'-P energy: -97.507
tors. eta vs tors. theta energy: -245.578
Dist. restrs. and SS energy: 4.737 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -2408.897584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.897584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.354658 (E_RNA)
where:
Base-Base interactions energy: -1690.366
where: short stacking energy: -700.325
Base-Backbone interact. energy: -2.395
local terms energy: -720.593422
where:
bonds (distance) C4'-P energy: -140.193
bonds (distance) P-C4' energy: -107.564
flat angles C4'-P-C4' energy: -154.228
flat angles P-C4'-P energy: -103.803
tors. eta vs tors. theta energy: -214.806
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: 1
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -2356.444893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.444893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.730099 (E_RNA)
where:
Base-Base interactions energy: -1683.677
where: short stacking energy: -674.648
Base-Backbone interact. energy: -1.596
local terms energy: -679.457895
where:
bonds (distance) C4'-P energy: -119.506
bonds (distance) P-C4' energy: -129.645
flat angles C4'-P-C4' energy: -136.483
flat angles P-C4'-P energy: -96.319
tors. eta vs tors. theta energy: -197.505
Dist. restrs. and SS energy: 8.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -2279.242914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.242914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.682037 (E_RNA)
where:
Base-Base interactions energy: -1596.121
where: short stacking energy: -682.229
Base-Backbone interact. energy: -2.824
local terms energy: -686.737053
where:
bonds (distance) C4'-P energy: -103.381
bonds (distance) P-C4' energy: -115.133
flat angles C4'-P-C4' energy: -158.990
flat angles P-C4'-P energy: -103.378
tors. eta vs tors. theta energy: -205.855
Dist. restrs. and SS energy: 6.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -2229.599889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.599889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.829457 (E_RNA)
where:
Base-Base interactions energy: -1592.830
where: short stacking energy: -673.279
Base-Backbone interact. energy: -1.544
local terms energy: -643.455953
where:
bonds (distance) C4'-P energy: -117.003
bonds (distance) P-C4' energy: -106.288
flat angles C4'-P-C4' energy: -146.793
flat angles P-C4'-P energy: -80.712
tors. eta vs tors. theta energy: -192.660
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: 9, replica: 6
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -2138.162814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.162814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.939678 (E_RNA)
where:
Base-Base interactions energy: -1521.453
where: short stacking energy: -614.924
Base-Backbone interact. energy: 2.395
local terms energy: -629.882051
where:
bonds (distance) C4'-P energy: -111.638
bonds (distance) P-C4' energy: -108.583
flat angles C4'-P-C4' energy: -127.789
flat angles P-C4'-P energy: -95.306
tors. eta vs tors. theta energy: -186.566
Dist. restrs. and SS energy: 10.777 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -2017.703269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.703269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.644337 (E_RNA)
where:
Base-Base interactions energy: -1458.104
where: short stacking energy: -596.705
Base-Backbone interact. energy: -2.489
local terms energy: -569.052242
where:
bonds (distance) C4'-P energy: -77.099
bonds (distance) P-C4' energy: -98.469
flat angles C4'-P-C4' energy: -130.917
flat angles P-C4'-P energy: -90.291
tors. eta vs tors. theta energy: -172.277
Dist. restrs. and SS energy: 11.941 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -2816.458137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.458137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2820.091409 (E_RNA)
where:
Base-Base interactions energy: -1969.539
where: short stacking energy: -847.506
Base-Backbone interact. energy: -3.804
local terms energy: -846.749103
where:
bonds (distance) C4'-P energy: -134.755
bonds (distance) P-C4' energy: -158.491
flat angles C4'-P-C4' energy: -178.795
flat angles P-C4'-P energy: -116.451
tors. eta vs tors. theta energy: -258.256
Dist. restrs. and SS energy: 3.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -2761.469548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2761.469548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2765.595076 (E_RNA)
where:
Base-Base interactions energy: -1948.619
where: short stacking energy: -841.182
Base-Backbone interact. energy: -2.110
local terms energy: -814.866234
where:
bonds (distance) C4'-P energy: -129.353
bonds (distance) P-C4' energy: -140.121
flat angles C4'-P-C4' energy: -178.319
flat angles P-C4'-P energy: -105.791
tors. eta vs tors. theta energy: -261.282
Dist. restrs. and SS energy: 4.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -2626.032620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.032620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.733750 (E_RNA)
where:
Base-Base interactions energy: -1838.988
where: short stacking energy: -774.494
Base-Backbone interact. energy: -4.144
local terms energy: -786.601903
where:
bonds (distance) C4'-P energy: -144.271
bonds (distance) P-C4' energy: -141.013
flat angles C4'-P-C4' energy: -162.826
flat angles P-C4'-P energy: -101.798
tors. eta vs tors. theta energy: -236.694
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: 4, replica: 2
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -2591.954912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.954912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.755476 (E_RNA)
where:
Base-Base interactions energy: -1819.440
where: short stacking energy: -777.656
Base-Backbone interact. energy: -2.561
local terms energy: -772.754832
where:
bonds (distance) C4'-P energy: -135.976
bonds (distance) P-C4' energy: -126.125
flat angles C4'-P-C4' energy: -174.561
flat angles P-C4'-P energy: -109.739
tors. eta vs tors. theta energy: -226.354
Dist. restrs. and SS energy: 2.801 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -2400.529791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.529791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.420189 (E_RNA)
where:
Base-Base interactions energy: -1682.966
where: short stacking energy: -703.215
Base-Backbone interact. energy: -3.117
local terms energy: -722.337496
where:
bonds (distance) C4'-P energy: -126.380
bonds (distance) P-C4' energy: -129.821
flat angles C4'-P-C4' energy: -154.910
flat angles P-C4'-P energy: -102.306
tors. eta vs tors. theta energy: -208.922
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: 6, replica: 9
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -2320.734811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.734811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.981668 (E_RNA)
where:
Base-Base interactions energy: -1663.616
where: short stacking energy: -679.711
Base-Backbone interact. energy: -3.549
local terms energy: -661.816923
where:
bonds (distance) C4'-P energy: -112.891
bonds (distance) P-C4' energy: -100.324
flat angles C4'-P-C4' energy: -152.548
flat angles P-C4'-P energy: -96.767
tors. eta vs tors. theta energy: -199.287
Dist. restrs. and SS energy: 8.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -2357.144984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.144984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.954647 (E_RNA)
where:
Base-Base interactions energy: -1705.800
where: short stacking energy: -693.331
Base-Backbone interact. energy: 0.583
local terms energy: -660.737630
where:
bonds (distance) C4'-P energy: -122.257
bonds (distance) P-C4' energy: -120.606
flat angles C4'-P-C4' energy: -131.601
flat angles P-C4'-P energy: -85.968
tors. eta vs tors. theta energy: -200.306
Dist. restrs. and SS energy: 8.810 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -2233.519566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.519566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.585708 (E_RNA)
where:
Base-Base interactions energy: -1573.985
where: short stacking energy: -657.688
Base-Backbone interact. energy: -2.347
local terms energy: -662.253554
where:
bonds (distance) C4'-P energy: -115.534
bonds (distance) P-C4' energy: -122.325
flat angles C4'-P-C4' energy: -153.907
flat angles P-C4'-P energy: -93.356
tors. eta vs tors. theta energy: -177.132
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: 9, replica: 6
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -2148.108409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.108409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.929959 (E_RNA)
where:
Base-Base interactions energy: -1540.785
where: short stacking energy: -636.559
Base-Backbone interact. energy: 4.777
local terms energy: -625.920981
where:
bonds (distance) C4'-P energy: -104.892
bonds (distance) P-C4' energy: -111.593
flat angles C4'-P-C4' energy: -143.678
flat angles P-C4'-P energy: -93.955
tors. eta vs tors. theta energy: -171.802
Dist. restrs. and SS energy: 13.822 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -1932.024413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.024413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.484983 (E_RNA)
where:
Base-Base interactions energy: -1391.424
where: short stacking energy: -590.941
Base-Backbone interact. energy: 1.177
local terms energy: -556.238078
where:
bonds (distance) C4'-P energy: -105.621
bonds (distance) P-C4' energy: -113.625
flat angles C4'-P-C4' energy: -108.903
flat angles P-C4'-P energy: -72.970
tors. eta vs tors. theta energy: -155.119
Dist. restrs. and SS energy: 14.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -2781.855394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.855394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.868389 (E_RNA)
where:
Base-Base interactions energy: -1970.375
where: short stacking energy: -829.040
Base-Backbone interact. energy: -3.527
local terms energy: -810.966333
where:
bonds (distance) C4'-P energy: -135.705
bonds (distance) P-C4' energy: -136.397
flat angles C4'-P-C4' energy: -164.218
flat angles P-C4'-P energy: -124.675
tors. eta vs tors. theta energy: -249.971
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: 10
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -2756.785436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.785436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.773344 (E_RNA)
where:
Base-Base interactions energy: -1934.561
where: short stacking energy: -822.161
Base-Backbone interact. energy: -2.424
local terms energy: -824.788149
where:
bonds (distance) C4'-P energy: -145.352
bonds (distance) P-C4' energy: -151.230
flat angles C4'-P-C4' energy: -164.945
flat angles P-C4'-P energy: -111.480
tors. eta vs tors. theta energy: -251.782
Dist. restrs. and SS energy: 4.988 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -2625.371005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.371005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.420837 (E_RNA)
where:
Base-Base interactions energy: -1844.850
where: short stacking energy: -772.443
Base-Backbone interact. energy: -2.853
local terms energy: -780.717880
where:
bonds (distance) C4'-P energy: -125.402
bonds (distance) P-C4' energy: -148.137
flat angles C4'-P-C4' energy: -156.335
flat angles P-C4'-P energy: -123.378
tors. eta vs tors. theta energy: -227.465
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: 2
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -2573.404349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.404349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.839447 (E_RNA)
where:
Base-Base interactions energy: -1785.000
where: short stacking energy: -770.362
Base-Backbone interact. energy: -2.026
local terms energy: -790.813743
where:
bonds (distance) C4'-P energy: -143.409
bonds (distance) P-C4' energy: -145.900
flat angles C4'-P-C4' energy: -162.983
flat angles P-C4'-P energy: -102.045
tors. eta vs tors. theta energy: -236.477
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: 4
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -2403.299480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.299480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.460625 (E_RNA)
where:
Base-Base interactions energy: -1694.466
where: short stacking energy: -726.568
Base-Backbone interact. energy: -1.430
local terms energy: -712.565100
where:
bonds (distance) C4'-P energy: -121.026
bonds (distance) P-C4' energy: -132.102
flat angles C4'-P-C4' energy: -150.506
flat angles P-C4'-P energy: -97.198
tors. eta vs tors. theta energy: -211.734
Dist. restrs. and SS energy: 5.161 (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: 9
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -2308.246544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.246544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.388554 (E_RNA)
where:
Base-Base interactions energy: -1609.446
where: short stacking energy: -674.548
Base-Backbone interact. energy: -1.357
local terms energy: -702.585369
where:
bonds (distance) C4'-P energy: -143.601
bonds (distance) P-C4' energy: -123.217
flat angles C4'-P-C4' energy: -134.890
flat angles P-C4'-P energy: -96.951
tors. eta vs tors. theta energy: -203.925
Dist. restrs. and SS energy: 5.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -2256.875206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.875206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.973343 (E_RNA)
where:
Base-Base interactions energy: -1607.680
where: short stacking energy: -659.642
Base-Backbone interact. energy: 0.283
local terms energy: -655.576647
where:
bonds (distance) C4'-P energy: -119.652
bonds (distance) P-C4' energy: -103.459
flat angles C4'-P-C4' energy: -151.018
flat angles P-C4'-P energy: -91.774
tors. eta vs tors. theta energy: -189.674
Dist. restrs. and SS energy: 6.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -2221.219625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.219625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.199621 (E_RNA)
where:
Base-Base interactions energy: -1559.278
where: short stacking energy: -658.150
Base-Backbone interact. energy: -0.134
local terms energy: -670.788117
where:
bonds (distance) C4'-P energy: -120.477
bonds (distance) P-C4' energy: -124.940
flat angles C4'-P-C4' energy: -141.540
flat angles P-C4'-P energy: -103.245
tors. eta vs tors. theta energy: -180.586
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: 9, replica: 7
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -2086.209885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.209885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.352917 (E_RNA)
where:
Base-Base interactions energy: -1479.328
where: short stacking energy: -623.840
Base-Backbone interact. energy: 3.595
local terms energy: -623.620328
where:
bonds (distance) C4'-P energy: -108.459
bonds (distance) P-C4' energy: -122.331
flat angles C4'-P-C4' energy: -131.095
flat angles P-C4'-P energy: -81.843
tors. eta vs tors. theta energy: -179.893
Dist. restrs. and SS energy: 13.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -2030.732290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.732290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.391477 (E_RNA)
where:
Base-Base interactions energy: -1448.491
where: short stacking energy: -618.918
Base-Backbone interact. energy: -1.691
local terms energy: -588.208984
where:
bonds (distance) C4'-P energy: -94.426
bonds (distance) P-C4' energy: -114.732
flat angles C4'-P-C4' energy: -121.415
flat angles P-C4'-P energy: -77.525
tors. eta vs tors. theta energy: -180.112
Dist. restrs. and SS energy: 7.659 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -2784.633552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.633552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.321553 (E_RNA)
where:
Base-Base interactions energy: -1974.233
where: short stacking energy: -823.473
Base-Backbone interact. energy: 0.567
local terms energy: -813.654836
where:
bonds (distance) C4'-P energy: -126.019
bonds (distance) P-C4' energy: -140.020
flat angles C4'-P-C4' energy: -172.868
flat angles P-C4'-P energy: -126.853
tors. eta vs tors. theta energy: -247.895
Dist. restrs. and SS energy: 2.688 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -2745.774431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.774431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.143208 (E_RNA)
where:
Base-Base interactions energy: -1901.780
where: short stacking energy: -829.097
Base-Backbone interact. energy: -2.485
local terms energy: -843.877864
where:
bonds (distance) C4'-P energy: -140.789
bonds (distance) P-C4' energy: -145.613
flat angles C4'-P-C4' energy: -177.839
flat angles P-C4'-P energy: -116.876
tors. eta vs tors. theta energy: -262.760
Dist. restrs. and SS energy: 2.369 (S_DIST_RNA)
chem. 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: -2614.920322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.920322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.891536 (E_RNA)
where:
Base-Base interactions energy: -1833.000
where: short stacking energy: -756.256
Base-Backbone interact. energy: 3.808
local terms energy: -790.699763
where:
bonds (distance) C4'-P energy: -136.680
bonds (distance) P-C4' energy: -146.580
flat angles C4'-P-C4' energy: -158.673
flat angles P-C4'-P energy: -121.502
tors. eta vs tors. theta energy: -227.265
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: 4, replica: 2
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -2633.647764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.647764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.628797 (E_RNA)
where:
Base-Base interactions energy: -1855.881
where: short stacking energy: -777.039
Base-Backbone interact. energy: -1.331
local terms energy: -780.417553
where:
bonds (distance) C4'-P energy: -120.231
bonds (distance) P-C4' energy: -144.109
flat angles C4'-P-C4' energy: -154.488
flat angles P-C4'-P energy: -108.958
tors. eta vs tors. theta energy: -252.632
Dist. restrs. and SS energy: 3.981 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -2391.522464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.522464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.459595 (E_RNA)
where:
Base-Base interactions energy: -1685.435
where: short stacking energy: -719.154
Base-Backbone interact. energy: -3.337
local terms energy: -711.687223
where:
bonds (distance) C4'-P energy: -105.555
bonds (distance) P-C4' energy: -129.795
flat angles C4'-P-C4' energy: -155.320
flat angles P-C4'-P energy: -115.124
tors. eta vs tors. theta energy: -205.894
Dist. restrs. and SS energy: 8.937 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -2322.625064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.625064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.090169 (E_RNA)
where:
Base-Base interactions energy: -1646.247
where: short stacking energy: -684.302
Base-Backbone interact. energy: -5.274
local terms energy: -674.568558
where:
bonds (distance) C4'-P energy: -118.163
bonds (distance) P-C4' energy: -114.981
flat angles C4'-P-C4' energy: -142.290
flat angles P-C4'-P energy: -98.057
tors. eta vs tors. theta energy: -201.078
Dist. restrs. and SS energy: 3.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -2225.081197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.081197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.296928 (E_RNA)
where:
Base-Base interactions energy: -1566.249
where: short stacking energy: -635.863
Base-Backbone interact. energy: -0.733
local terms energy: -665.315193
where:
bonds (distance) C4'-P energy: -134.064
bonds (distance) P-C4' energy: -142.209
flat angles C4'-P-C4' energy: -131.590
flat angles P-C4'-P energy: -85.961
tors. eta vs tors. theta energy: -171.491
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: 8, replica: 1
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -2220.936439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.936439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.934604 (E_RNA)
where:
Base-Base interactions energy: -1589.308
where: short stacking energy: -650.601
Base-Backbone interact. energy: -0.366
local terms energy: -640.260654
where:
bonds (distance) C4'-P energy: -106.154
bonds (distance) P-C4' energy: -112.816
flat angles C4'-P-C4' energy: -140.539
flat angles P-C4'-P energy: -82.383
tors. eta vs tors. theta energy: -198.369
Dist. restrs. and SS energy: 8.998 (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: 7
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -2063.051484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.051484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.795665 (E_RNA)
where:
Base-Base interactions energy: -1462.155
where: short stacking energy: -600.131
Base-Backbone interact. energy: -4.663
local terms energy: -610.977339
where:
bonds (distance) C4'-P energy: -90.854
bonds (distance) P-C4' energy: -119.705
flat angles C4'-P-C4' energy: -144.747
flat angles P-C4'-P energy: -84.973
tors. eta vs tors. theta energy: -170.698
Dist. restrs. and SS energy: 14.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -2021.827032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.827032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.617784 (E_RNA)
where:
Base-Base interactions energy: -1446.827
where: short stacking energy: -593.580
Base-Backbone interact. energy: -4.155
local terms energy: -585.635040
where:
bonds (distance) C4'-P energy: -84.045
bonds (distance) P-C4' energy: -120.108
flat angles C4'-P-C4' energy: -131.943
flat angles P-C4'-P energy: -77.298
tors. eta vs tors. theta energy: -172.241
Dist. restrs. and SS energy: 14.791 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -2820.537050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.537050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.990857 (E_RNA)
where:
Base-Base interactions energy: -1972.213
where: short stacking energy: -831.240
Base-Backbone interact. energy: -5.410
local terms energy: -847.367518
where:
bonds (distance) C4'-P energy: -153.827
bonds (distance) P-C4' energy: -153.077
flat angles C4'-P-C4' energy: -163.293
flat angles P-C4'-P energy: -121.312
tors. eta vs tors. theta energy: -255.858
Dist. restrs. and SS energy: 4.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -2727.117263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.117263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.194925 (E_RNA)
where:
Base-Base interactions energy: -1896.001
where: short stacking energy: -806.826
Base-Backbone interact. energy: -3.793
local terms energy: -830.400575
where:
bonds (distance) C4'-P energy: -138.210
bonds (distance) P-C4' energy: -142.996
flat angles C4'-P-C4' energy: -172.279
flat angles P-C4'-P energy: -128.277
tors. eta vs tors. theta energy: -248.638
Dist. restrs. and SS energy: 3.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -2640.009590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.009590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.647300 (E_RNA)
where:
Base-Base interactions energy: -1870.881
where: short stacking energy: -793.966
Base-Backbone interact. energy: -4.401
local terms energy: -767.364622
where:
bonds (distance) C4'-P energy: -136.192
bonds (distance) P-C4' energy: -127.651
flat angles C4'-P-C4' energy: -152.397
flat angles P-C4'-P energy: -100.388
tors. eta vs tors. theta energy: -250.737
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: 8
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -2575.861193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.861193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.974785 (E_RNA)
where:
Base-Base interactions energy: -1818.146
where: short stacking energy: -780.376
Base-Backbone interact. energy: -1.898
local terms energy: -760.930957
where:
bonds (distance) C4'-P energy: -116.446
bonds (distance) P-C4' energy: -131.193
flat angles C4'-P-C4' energy: -173.230
flat angles P-C4'-P energy: -111.819
tors. eta vs tors. theta energy: -228.243
Dist. restrs. and SS energy: 5.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -2408.091645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.091645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.080602 (E_RNA)
where:
Base-Base interactions energy: -1683.754
where: short stacking energy: -705.969
Base-Backbone interact. energy: -3.257
local terms energy: -728.069617
where:
bonds (distance) C4'-P energy: -121.767
bonds (distance) P-C4' energy: -150.214
flat angles C4'-P-C4' energy: -142.548
flat angles P-C4'-P energy: -105.618
tors. eta vs tors. theta energy: -207.922
Dist. restrs. and SS energy: 6.989 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -2368.957733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.957733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.433894 (E_RNA)
where:
Base-Base interactions energy: -1665.560
where: short stacking energy: -710.737
Base-Backbone interact. energy: 3.563
local terms energy: -712.436414
where:
bonds (distance) C4'-P energy: -113.036
bonds (distance) P-C4' energy: -138.492
flat angles C4'-P-C4' energy: -136.640
flat angles P-C4'-P energy: -107.941
tors. eta vs tors. theta energy: -216.327
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: 7, replica: 1
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -2266.897168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.897168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.285389 (E_RNA)
where:
Base-Base interactions energy: -1578.605
where: short stacking energy: -656.939
Base-Backbone interact. energy: -1.262
local terms energy: -699.418315
where:
bonds (distance) C4'-P energy: -126.389
bonds (distance) P-C4' energy: -141.138
flat angles C4'-P-C4' energy: -130.757
flat angles P-C4'-P energy: -96.504
tors. eta vs tors. theta energy: -204.630
Dist. restrs. and SS energy: 12.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -2231.129323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.129323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.791240 (E_RNA)
where:
Base-Base interactions energy: -1569.784
where: short stacking energy: -647.192
Base-Backbone interact. energy: -2.888
local terms energy: -666.119109
where:
bonds (distance) C4'-P energy: -117.385
bonds (distance) P-C4' energy: -129.440
flat angles C4'-P-C4' energy: -141.317
flat angles P-C4'-P energy: -97.604
tors. eta vs tors. theta energy: -180.373
Dist. restrs. and SS energy: 7.662 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -2088.119474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.119474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.823246 (E_RNA)
where:
Base-Base interactions energy: -1512.804
where: short stacking energy: -620.806
Base-Backbone interact. energy: -3.597
local terms energy: -586.422135
where:
bonds (distance) C4'-P energy: -101.888
bonds (distance) P-C4' energy: -121.686
flat angles C4'-P-C4' energy: -122.618
flat angles P-C4'-P energy: -70.000
tors. eta vs tors. theta energy: -170.230
Dist. restrs. and SS energy: 14.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -1991.413965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.413965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.154517 (E_RNA)
where:
Base-Base interactions energy: -1420.506
where: short stacking energy: -572.766
Base-Backbone interact. energy: -2.458
local terms energy: -591.190943
where:
bonds (distance) C4'-P energy: -86.512
bonds (distance) P-C4' energy: -116.807
flat angles C4'-P-C4' energy: -134.480
flat angles P-C4'-P energy: -89.158
tors. eta vs tors. theta energy: -164.235
Dist. restrs. and SS energy: 22.741 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -2799.804351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.804351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.184918 (E_RNA)
where:
Base-Base interactions energy: -1973.739
where: short stacking energy: -801.004
Base-Backbone interact. energy: -0.285
local terms energy: -828.160415
where:
bonds (distance) C4'-P energy: -139.894
bonds (distance) P-C4' energy: -139.434
flat angles C4'-P-C4' energy: -170.190
flat angles P-C4'-P energy: -122.409
tors. eta vs tors. theta energy: -256.233
Dist. restrs. and SS energy: 2.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -2737.498221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.498221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.958412 (E_RNA)
where:
Base-Base interactions energy: -1897.357
where: short stacking energy: -818.617
Base-Backbone interact. energy: -2.779
local terms energy: -840.822045
where:
bonds (distance) C4'-P energy: -140.536
bonds (distance) P-C4' energy: -146.187
flat angles C4'-P-C4' energy: -173.464
flat angles P-C4'-P energy: -124.942
tors. eta vs tors. theta energy: -255.694
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: 3, replica: 2
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -2625.531666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.531666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.476104 (E_RNA)
where:
Base-Base interactions energy: -1837.466
where: short stacking energy: -781.225
Base-Backbone interact. energy: -2.822
local terms energy: -787.188286
where:
bonds (distance) C4'-P energy: -145.081
bonds (distance) P-C4' energy: -134.110
flat angles C4'-P-C4' energy: -165.163
flat angles P-C4'-P energy: -107.638
tors. eta vs tors. theta energy: -235.196
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: 4, replica: 8
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -2579.535476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.535476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.181715 (E_RNA)
where:
Base-Base interactions energy: -1830.274
where: short stacking energy: -772.242
Base-Backbone interact. energy: 0.376
local terms energy: -753.283748
where:
bonds (distance) C4'-P energy: -135.765
bonds (distance) P-C4' energy: -134.442
flat angles C4'-P-C4' energy: -150.640
flat angles P-C4'-P energy: -97.572
tors. eta vs tors. theta energy: -234.865
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: 5, replica: 5
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -2419.714643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.714643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.659752 (E_RNA)
where:
Base-Base interactions energy: -1722.362
where: short stacking energy: -702.474
Base-Backbone interact. energy: -4.257
local terms energy: -697.040516
where:
bonds (distance) C4'-P energy: -124.063
bonds (distance) P-C4' energy: -128.681
flat angles C4'-P-C4' energy: -151.766
flat angles P-C4'-P energy: -96.635
tors. eta vs tors. theta energy: -195.895
Dist. restrs. and SS energy: 3.945 (S_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: 483
Temperature: 1.150000
Total energy: -2364.197001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.197001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.954381 (E_RNA)
where:
Base-Base interactions energy: -1675.749
where: short stacking energy: -691.932
Base-Backbone interact. energy: -1.425
local terms energy: -698.780466
where:
bonds (distance) C4'-P energy: -109.423
bonds (distance) P-C4' energy: -126.983
flat angles C4'-P-C4' energy: -154.439
flat angles P-C4'-P energy: -106.808
tors. eta vs tors. theta energy: -201.127
Dist. restrs. and SS energy: 11.757 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -2292.792443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.792443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.102321 (E_RNA)
where:
Base-Base interactions energy: -1622.896
where: short stacking energy: -675.603
Base-Backbone interact. energy: -2.556
local terms energy: -679.650591
where:
bonds (distance) C4'-P energy: -123.851
bonds (distance) P-C4' energy: -112.413
flat angles C4'-P-C4' energy: -153.430
flat angles P-C4'-P energy: -86.635
tors. eta vs tors. theta energy: -203.321
Dist. restrs. and SS energy: 12.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -2205.463057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.463057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.005216 (E_RNA)
where:
Base-Base interactions energy: -1567.083
where: short stacking energy: -640.264
Base-Backbone interact. energy: -1.377
local terms energy: -642.544783
where:
bonds (distance) C4'-P energy: -95.801
bonds (distance) P-C4' energy: -133.781
flat angles C4'-P-C4' energy: -147.698
flat angles P-C4'-P energy: -82.469
tors. eta vs tors. theta energy: -182.795
Dist. restrs. and SS energy: 5.542 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -2121.260312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.260312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.465797 (E_RNA)
where:
Base-Base interactions energy: -1475.646
where: short stacking energy: -605.142
Base-Backbone interact. energy: 2.130
local terms energy: -658.949214
where:
bonds (distance) C4'-P energy: -123.966
bonds (distance) P-C4' energy: -120.965
flat angles C4'-P-C4' energy: -147.438
flat angles P-C4'-P energy: -93.752
tors. eta vs tors. theta energy: -172.827
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: 10, replica: 7
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -1951.966988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.966988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.383589 (E_RNA)
where:
Base-Base interactions energy: -1374.075
where: short stacking energy: -562.107
Base-Backbone interact. energy: -1.194
local terms energy: -597.114375
where:
bonds (distance) C4'-P energy: -106.934
bonds (distance) P-C4' energy: -118.966
flat angles C4'-P-C4' energy: -126.605
flat angles P-C4'-P energy: -84.994
tors. eta vs tors. theta energy: -159.615
Dist. restrs. and SS energy: 20.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -2792.266718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2792.266718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.563481 (E_RNA)
where:
Base-Base interactions energy: -1976.270
where: short stacking energy: -811.041
Base-Backbone interact. energy: -2.185
local terms energy: -816.108921
where:
bonds (distance) C4'-P energy: -136.390
bonds (distance) P-C4' energy: -164.018
flat angles C4'-P-C4' energy: -163.218
flat angles P-C4'-P energy: -118.391
tors. eta vs tors. theta energy: -234.091
Dist. restrs. and SS energy: 2.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -2715.324464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.324464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.273438 (E_RNA)
where:
Base-Base interactions energy: -1888.975
where: short stacking energy: -809.028
Base-Backbone interact. energy: -3.846
local terms energy: -825.452943
where:
bonds (distance) C4'-P energy: -153.673
bonds (distance) P-C4' energy: -125.538
flat angles C4'-P-C4' energy: -173.951
flat angles P-C4'-P energy: -115.484
tors. eta vs tors. theta energy: -256.807
Dist. restrs. and SS energy: 2.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -2650.005750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.005750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.523635 (E_RNA)
where:
Base-Base interactions energy: -1883.857
where: short stacking energy: -793.080
Base-Backbone interact. energy: 2.770
local terms energy: -771.436551
where:
bonds (distance) C4'-P energy: -119.401
bonds (distance) P-C4' energy: -132.862
flat angles C4'-P-C4' energy: -171.112
flat angles P-C4'-P energy: -111.035
tors. eta vs tors. theta energy: -237.028
Dist. restrs. and SS energy: 2.518 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -2570.279309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.279309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.701480 (E_RNA)
where:
Base-Base interactions energy: -1815.483
where: short stacking energy: -782.789
Base-Backbone interact. energy: -3.290
local terms energy: -753.927965
where:
bonds (distance) C4'-P energy: -141.786
bonds (distance) P-C4' energy: -120.065
flat angles C4'-P-C4' energy: -147.782
flat angles P-C4'-P energy: -98.764
tors. eta vs tors. theta energy: -245.530
Dist. restrs. and SS energy: 2.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -2425.402777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.402777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.988703 (E_RNA)
where:
Base-Base interactions energy: -1681.228
where: short stacking energy: -718.841
Base-Backbone interact. energy: -2.421
local terms energy: -744.340398
where:
bonds (distance) C4'-P energy: -128.011
bonds (distance) P-C4' energy: -144.854
flat angles C4'-P-C4' energy: -144.760
flat angles P-C4'-P energy: -117.740
tors. eta vs tors. theta energy: -208.975
Dist. restrs. and SS energy: 2.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -2377.853799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.853799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.619575 (E_RNA)
where:
Base-Base interactions energy: -1688.838
where: short stacking energy: -703.321
Base-Backbone interact. energy: -3.028
local terms energy: -692.753885
where:
bonds (distance) C4'-P energy: -126.257
bonds (distance) P-C4' energy: -125.420
flat angles C4'-P-C4' energy: -140.771
flat angles P-C4'-P energy: -92.042
tors. eta vs tors. theta energy: -208.264
Dist. restrs. and SS energy: 6.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -2277.640799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.640799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.266097 (E_RNA)
where:
Base-Base interactions energy: -1623.790
where: short stacking energy: -686.745
Base-Backbone interact. energy: -1.777
local terms energy: -662.698363
where:
bonds (distance) C4'-P energy: -124.279
bonds (distance) P-C4' energy: -112.767
flat angles C4'-P-C4' energy: -143.654
flat angles P-C4'-P energy: -89.276
tors. eta vs tors. theta energy: -192.722
Dist. restrs. and SS energy: 10.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -2191.845465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.845465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.814302 (E_RNA)
where:
Base-Base interactions energy: -1551.469
where: short stacking energy: -668.033
Base-Backbone interact. energy: -1.135
local terms energy: -649.209892
where:
bonds (distance) C4'-P energy: -129.605
bonds (distance) P-C4' energy: -110.658
flat angles C4'-P-C4' energy: -131.277
flat angles P-C4'-P energy: -83.589
tors. eta vs tors. theta energy: -194.081
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: 9, replica: 6
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -2127.423539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.423539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.259476 (E_RNA)
where:
Base-Base interactions energy: -1539.593
where: short stacking energy: -647.107
Base-Backbone interact. energy: -1.645
local terms energy: -595.022255
where:
bonds (distance) C4'-P energy: -99.102
bonds (distance) P-C4' energy: -113.069
flat angles C4'-P-C4' energy: -125.746
flat angles P-C4'-P energy: -73.448
tors. eta vs tors. theta energy: -183.658
Dist. restrs. and SS energy: 8.836 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -1979.656972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.656972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.642434 (E_RNA)
where:
Base-Base interactions energy: -1403.901
where: short stacking energy: -572.544
Base-Backbone interact. energy: -1.705
local terms energy: -592.036784
where:
bonds (distance) C4'-P energy: -114.515
bonds (distance) P-C4' energy: -117.876
flat angles C4'-P-C4' energy: -122.312
flat angles P-C4'-P energy: -76.072
tors. eta vs tors. theta energy: -161.262
Dist. restrs. and SS energy: 17.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -2799.592434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.592434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.890656 (E_RNA)
where:
Base-Base interactions energy: -1963.867
where: short stacking energy: -810.871
Base-Backbone interact. energy: -2.221
local terms energy: -836.803178
where:
bonds (distance) C4'-P energy: -156.992
bonds (distance) P-C4' energy: -142.094
flat angles C4'-P-C4' energy: -169.187
flat angles P-C4'-P energy: -120.096
tors. eta vs tors. theta energy: -248.434
Dist. restrs. and SS energy: 3.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -2726.614251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.614251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.717147 (E_RNA)
where:
Base-Base interactions energy: -1891.793
where: short stacking energy: -819.758
Base-Backbone interact. energy: -2.198
local terms energy: -835.725292
where:
bonds (distance) C4'-P energy: -140.949
bonds (distance) P-C4' energy: -143.162
flat angles C4'-P-C4' energy: -174.058
flat angles P-C4'-P energy: -123.936
tors. eta vs tors. theta energy: -253.621
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: 8
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -2671.012195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.012195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.962447 (E_RNA)
where:
Base-Base interactions energy: -1858.326
where: short stacking energy: -792.241
Base-Backbone interact. energy: -2.923
local terms energy: -813.713047
where:
bonds (distance) C4'-P energy: -149.780
bonds (distance) P-C4' energy: -156.085
flat angles C4'-P-C4' energy: -160.023
flat angles P-C4'-P energy: -115.535
tors. eta vs tors. theta energy: -232.289
Dist. restrs. and SS energy: 3.950 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -2588.840401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.840401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.880618 (E_RNA)
where:
Base-Base interactions energy: -1817.161
where: short stacking energy: -780.271
Base-Backbone interact. energy: -1.217
local terms energy: -775.503435
where:
bonds (distance) C4'-P energy: -127.380
bonds (distance) P-C4' energy: -134.157
flat angles C4'-P-C4' energy: -158.201
flat angles P-C4'-P energy: -111.747
tors. eta vs tors. theta energy: -244.018
Dist. restrs. and SS energy: 5.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -2400.217600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.217600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.768703 (E_RNA)
where:
Base-Base interactions energy: -1660.848
where: short stacking energy: -692.407
Base-Backbone interact. energy: 0.418
local terms energy: -745.338586
where:
bonds (distance) C4'-P energy: -140.536
bonds (distance) P-C4' energy: -134.546
flat angles C4'-P-C4' energy: -153.445
flat angles P-C4'-P energy: -107.036
tors. eta vs tors. theta energy: -209.777
Dist. restrs. and SS energy: 5.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -2384.844767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.844767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.632681 (E_RNA)
where:
Base-Base interactions energy: -1681.896
where: short stacking energy: -733.533
Base-Backbone interact. energy: -3.114
local terms energy: -706.623243
where:
bonds (distance) C4'-P energy: -126.172
bonds (distance) P-C4' energy: -124.159
flat angles C4'-P-C4' energy: -143.194
flat angles P-C4'-P energy: -102.989
tors. eta vs tors. theta energy: -210.109
Dist. restrs. and SS energy: 6.788 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -2293.076252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.076252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.846666 (E_RNA)
where:
Base-Base interactions energy: -1616.111
where: short stacking energy: -654.763
Base-Backbone interact. energy: 4.589
local terms energy: -689.325058
where:
bonds (distance) C4'-P energy: -105.652
bonds (distance) P-C4' energy: -129.360
flat angles C4'-P-C4' energy: -143.844
flat angles P-C4'-P energy: -110.283
tors. eta vs tors. theta energy: -200.186
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: 8, replica: 9
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -2233.277995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.277995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.034679 (E_RNA)
where:
Base-Base interactions energy: -1576.380
where: short stacking energy: -679.339
Base-Backbone interact. energy: -4.952
local terms energy: -662.703318
where:
bonds (distance) C4'-P energy: -115.847
bonds (distance) P-C4' energy: -117.284
flat angles C4'-P-C4' energy: -145.947
flat angles P-C4'-P energy: -87.344
tors. eta vs tors. theta energy: -196.282
Dist. restrs. and SS energy: 10.757 (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: 485
Temperature: 1.300000
Total energy: -2154.658832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.658832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.312357 (E_RNA)
where:
Base-Base interactions energy: -1519.663
where: short stacking energy: -612.447
Base-Backbone interact. energy: -3.259
local terms energy: -640.389854
where:
bonds (distance) C4'-P energy: -97.363
bonds (distance) P-C4' energy: -124.102
flat angles C4'-P-C4' energy: -137.762
flat angles P-C4'-P energy: -107.095
tors. eta vs tors. theta energy: -174.067
Dist. restrs. and SS energy: 8.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -2032.415702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.415702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.245565 (E_RNA)
where:
Base-Base interactions energy: -1423.588
where: short stacking energy: -593.776
Base-Backbone interact. energy: -4.267
local terms energy: -615.390825
where:
bonds (distance) C4'-P energy: -122.687
bonds (distance) P-C4' energy: -115.668
flat angles C4'-P-C4' energy: -124.269
flat angles P-C4'-P energy: -83.810
tors. eta vs tors. theta energy: -168.957
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: 1, replica: 3
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -2763.130198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2763.130198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.387961 (E_RNA)
where:
Base-Base interactions energy: -1943.451
where: short stacking energy: -810.109
Base-Backbone interact. energy: -3.568
local terms energy: -819.368385
where:
bonds (distance) C4'-P energy: -137.643
bonds (distance) P-C4' energy: -141.291
flat angles C4'-P-C4' energy: -159.028
flat angles P-C4'-P energy: -126.358
tors. eta vs tors. theta energy: -255.047
Dist. restrs. and SS energy: 3.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -2735.811003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.811003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.775798 (E_RNA)
where:
Base-Base interactions energy: -1919.666
where: short stacking energy: -810.345
Base-Backbone interact. energy: -1.085
local terms energy: -819.025481
where:
bonds (distance) C4'-P energy: -147.986
bonds (distance) P-C4' energy: -138.438
flat angles C4'-P-C4' energy: -170.743
flat angles P-C4'-P energy: -112.327
tors. eta vs tors. theta energy: -249.532
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: 2
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -2624.029844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.029844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.967965 (E_RNA)
where:
Base-Base interactions energy: -1818.821
where: short stacking energy: -795.563
Base-Backbone interact. energy: -1.051
local terms energy: -807.095383
where:
bonds (distance) C4'-P energy: -137.935
bonds (distance) P-C4' energy: -134.300
flat angles C4'-P-C4' energy: -173.563
flat angles P-C4'-P energy: -116.535
tors. eta vs tors. theta energy: -244.763
Dist. restrs. and SS energy: 2.938 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -2581.283995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.283995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.043142 (E_RNA)
where:
Base-Base interactions energy: -1807.419
where: short stacking energy: -766.215
Base-Backbone interact. energy: -3.776
local terms energy: -777.848579
where:
bonds (distance) C4'-P energy: -127.653
bonds (distance) P-C4' energy: -144.369
flat angles C4'-P-C4' energy: -162.265
flat angles P-C4'-P energy: -110.030
tors. eta vs tors. theta energy: -233.532
Dist. restrs. and SS energy: 7.759 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -2455.301259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.301259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.138308 (E_RNA)
where:
Base-Base interactions energy: -1727.094
where: short stacking energy: -735.858
Base-Backbone interact. energy: -1.564
local terms energy: -734.480888
where:
bonds (distance) C4'-P energy: -121.657
bonds (distance) P-C4' energy: -140.036
flat angles C4'-P-C4' energy: -152.427
flat angles P-C4'-P energy: -100.478
tors. eta vs tors. theta energy: -219.884
Dist. restrs. and SS energy: 7.837 (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: 486
Temperature: 1.150000
Total energy: -2388.084852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.084852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.351093 (E_RNA)
where:
Base-Base interactions energy: -1669.286
where: short stacking energy: -712.628
Base-Backbone interact. energy: -0.617
local terms energy: -725.447519
where:
bonds (distance) C4'-P energy: -127.948
bonds (distance) P-C4' energy: -139.844
flat angles C4'-P-C4' energy: -147.169
flat angles P-C4'-P energy: -98.829
tors. eta vs tors. theta energy: -211.658
Dist. restrs. and SS energy: 7.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -2297.377630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.377630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.270511 (E_RNA)
where:
Base-Base interactions energy: -1613.389
where: short stacking energy: -665.031
Base-Backbone interact. energy: -1.887
local terms energy: -689.994390
where:
bonds (distance) C4'-P energy: -127.740
bonds (distance) P-C4' energy: -129.615
flat angles C4'-P-C4' energy: -147.603
flat angles P-C4'-P energy: -85.729
tors. eta vs tors. theta energy: -199.307
Dist. restrs. and SS energy: 7.893 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -2247.404142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.404142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.268741 (E_RNA)
where:
Base-Base interactions energy: -1579.518
where: short stacking energy: -647.144
Base-Backbone interact. energy: 3.658
local terms energy: -678.408795
where:
bonds (distance) C4'-P energy: -129.358
bonds (distance) P-C4' energy: -113.625
flat angles C4'-P-C4' energy: -136.260
flat angles P-C4'-P energy: -101.620
tors. eta vs tors. theta energy: -197.546
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: 9, replica: 7
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -2103.153124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.153124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.281867 (E_RNA)
where:
Base-Base interactions energy: -1459.557
where: short stacking energy: -610.866
Base-Backbone interact. energy: 1.952
local terms energy: -660.676466
where:
bonds (distance) C4'-P energy: -128.272
bonds (distance) P-C4' energy: -106.000
flat angles C4'-P-C4' energy: -155.533
flat angles P-C4'-P energy: -103.892
tors. eta vs tors. theta energy: -166.981
Dist. restrs. and SS energy: 15.129 (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: 6
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -2084.053696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.053696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.793181 (E_RNA)
where:
Base-Base interactions energy: -1514.171
where: short stacking energy: -619.123
Base-Backbone interact. energy: 10.385
local terms energy: -590.007326
where:
bonds (distance) C4'-P energy: -110.072
bonds (distance) P-C4' energy: -108.123
flat angles C4'-P-C4' energy: -131.439
flat angles P-C4'-P energy: -67.881
tors. eta vs tors. theta energy: -172.493
Dist. restrs. and SS energy: 9.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -2789.018841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2789.018841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.429951 (E_RNA)
where:
Base-Base interactions energy: -1942.197
where: short stacking energy: -817.143
Base-Backbone interact. energy: -4.204
local terms energy: -846.028812
where:
bonds (distance) C4'-P energy: -151.966
bonds (distance) P-C4' energy: -150.798
flat angles C4'-P-C4' energy: -175.611
flat angles P-C4'-P energy: -118.137
tors. eta vs tors. theta energy: -249.516
Dist. restrs. and SS energy: 3.411 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -2748.738326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2748.738326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2752.265557 (E_RNA)
where:
Base-Base interactions energy: -1941.182
where: short stacking energy: -823.772
Base-Backbone interact. energy: 1.944
local terms energy: -813.027079
where:
bonds (distance) C4'-P energy: -145.206
bonds (distance) P-C4' energy: -141.910
flat angles C4'-P-C4' energy: -169.128
flat angles P-C4'-P energy: -102.143
tors. eta vs tors. theta energy: -254.639
Dist. restrs. and SS energy: 3.527 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -2629.480781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.480781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.931423 (E_RNA)
where:
Base-Base interactions energy: -1844.283
where: short stacking energy: -813.535
Base-Backbone interact. energy: -0.998
local terms energy: -786.650013
where:
bonds (distance) C4'-P energy: -125.568
bonds (distance) P-C4' energy: -141.941
flat angles C4'-P-C4' energy: -166.503
flat angles P-C4'-P energy: -110.661
tors. eta vs tors. theta energy: -241.977
Dist. restrs. and SS energy: 2.451 (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: 8
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -2555.860771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.860771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.752620 (E_RNA)
where:
Base-Base interactions energy: -1793.870
where: short stacking energy: -773.290
Base-Backbone interact. energy: -3.583
local terms energy: -762.299716
where:
bonds (distance) C4'-P energy: -126.704
bonds (distance) P-C4' energy: -140.113
flat angles C4'-P-C4' energy: -153.607
flat angles P-C4'-P energy: -108.592
tors. eta vs tors. theta energy: -233.284
Dist. restrs. and SS energy: 3.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -2400.208078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.208078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.892080 (E_RNA)
where:
Base-Base interactions energy: -1663.754
where: short stacking energy: -713.642
Base-Backbone interact. energy: -3.385
local terms energy: -740.753574
where:
bonds (distance) C4'-P energy: -126.478
bonds (distance) P-C4' energy: -143.312
flat angles C4'-P-C4' energy: -142.917
flat angles P-C4'-P energy: -113.124
tors. eta vs tors. theta energy: -214.923
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: 5
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -2365.794045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.794045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.863332 (E_RNA)
where:
Base-Base interactions energy: -1663.430
where: short stacking energy: -700.574
Base-Backbone interact. energy: -2.586
local terms energy: -704.847646
where:
bonds (distance) C4'-P energy: -112.174
bonds (distance) P-C4' energy: -144.381
flat angles C4'-P-C4' energy: -138.113
flat angles P-C4'-P energy: -98.568
tors. eta vs tors. theta energy: -211.610
Dist. restrs. and SS energy: 5.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -2265.495297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.495297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.022405 (E_RNA)
where:
Base-Base interactions energy: -1579.720
where: short stacking energy: -679.301
Base-Backbone interact. energy: -0.396
local terms energy: -693.906404
where:
bonds (distance) C4'-P energy: -114.489
bonds (distance) P-C4' energy: -136.682
flat angles C4'-P-C4' energy: -154.535
flat angles P-C4'-P energy: -90.336
tors. eta vs tors. theta energy: -197.864
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: 8, replica: 9
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -2286.350787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.350787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.751264 (E_RNA)
where:
Base-Base interactions energy: -1606.944
where: short stacking energy: -685.983
Base-Backbone interact. energy: -3.268
local terms energy: -683.539684
where:
bonds (distance) C4'-P energy: -114.547
bonds (distance) P-C4' energy: -109.435
flat angles C4'-P-C4' energy: -147.112
flat angles P-C4'-P energy: -108.138
tors. eta vs tors. theta energy: -204.308
Dist. restrs. and SS energy: 7.400 (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: 487
Temperature: 1.300000
Total energy: -2080.857155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.857155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.044086 (E_RNA)
where:
Base-Base interactions energy: -1479.306
where: short stacking energy: -608.527
Base-Backbone interact. energy: -1.771
local terms energy: -611.967580
where:
bonds (distance) C4'-P energy: -95.352
bonds (distance) P-C4' energy: -125.309
flat angles C4'-P-C4' energy: -132.438
flat angles P-C4'-P energy: -80.892
tors. eta vs tors. theta energy: -177.977
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: 6
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -2068.080125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.080125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.182055 (E_RNA)
where:
Base-Base interactions energy: -1493.827
where: short stacking energy: -612.515
Base-Backbone interact. energy: -1.504
local terms energy: -580.851288
where:
bonds (distance) C4'-P energy: -105.576
bonds (distance) P-C4' energy: -98.177
flat angles C4'-P-C4' energy: -128.551
flat angles P-C4'-P energy: -74.016
tors. eta vs tors. theta energy: -174.531
Dist. restrs. and SS energy: 8.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -2791.511089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.511089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.230961 (E_RNA)
where:
Base-Base interactions energy: -1980.667
where: short stacking energy: -811.528
Base-Backbone interact. energy: -3.701
local terms energy: -811.863075
where:
bonds (distance) C4'-P energy: -157.729
bonds (distance) P-C4' energy: -137.298
flat angles C4'-P-C4' energy: -154.191
flat angles P-C4'-P energy: -122.934
tors. eta vs tors. theta energy: -239.710
Dist. restrs. and SS energy: 4.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -2746.154614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.154614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.442694 (E_RNA)
where:
Base-Base interactions energy: -1923.214
where: short stacking energy: -805.180
Base-Backbone interact. energy: -3.363
local terms energy: -822.865028
where:
bonds (distance) C4'-P energy: -124.713
bonds (distance) P-C4' energy: -143.217
flat angles C4'-P-C4' energy: -180.726
flat angles P-C4'-P energy: -118.374
tors. eta vs tors. theta energy: -255.835
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: 3, replica: 2
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -2616.168550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.168550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.622387 (E_RNA)
where:
Base-Base interactions energy: -1833.827
where: short stacking energy: -798.631
Base-Backbone interact. energy: -2.869
local terms energy: -782.926209
where:
bonds (distance) C4'-P energy: -127.037
bonds (distance) P-C4' energy: -129.773
flat angles C4'-P-C4' energy: -165.316
flat angles P-C4'-P energy: -118.195
tors. eta vs tors. theta energy: -242.606
Dist. restrs. and SS energy: 3.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -2564.756377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.756377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.420182 (E_RNA)
where:
Base-Base interactions energy: -1804.154
where: short stacking energy: -773.847
Base-Backbone interact. energy: -3.038
local terms energy: -764.228462
where:
bonds (distance) C4'-P energy: -137.786
bonds (distance) P-C4' energy: -146.803
flat angles C4'-P-C4' energy: -159.562
flat angles P-C4'-P energy: -99.062
tors. eta vs tors. theta energy: -221.015
Dist. restrs. and SS energy: 6.664 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -2388.031995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.031995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.426826 (E_RNA)
where:
Base-Base interactions energy: -1694.545
where: short stacking energy: -713.218
Base-Backbone interact. energy: 6.363
local terms energy: -704.244196
where:
bonds (distance) C4'-P energy: -125.081
bonds (distance) P-C4' energy: -137.293
flat angles C4'-P-C4' energy: -144.899
flat angles P-C4'-P energy: -96.212
tors. eta vs tors. theta energy: -200.759
Dist. restrs. and SS energy: 4.395 (S_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: 488
Temperature: 1.150000
Total energy: -2372.657702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.657702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.548457 (E_RNA)
where:
Base-Base interactions energy: -1650.386
where: short stacking energy: -700.603
Base-Backbone interact. energy: -2.326
local terms energy: -726.836978
where:
bonds (distance) C4'-P energy: -118.578
bonds (distance) P-C4' energy: -126.016
flat angles C4'-P-C4' energy: -164.403
flat angles P-C4'-P energy: -114.889
tors. eta vs tors. theta energy: -202.952
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: 7, replica: 1
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -2283.836647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.836647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.457824 (E_RNA)
where:
Base-Base interactions energy: -1589.405
where: short stacking energy: -670.102
Base-Backbone interact. energy: -3.306
local terms energy: -702.747005
where:
bonds (distance) C4'-P energy: -119.229
bonds (distance) P-C4' energy: -123.983
flat angles C4'-P-C4' energy: -168.299
flat angles P-C4'-P energy: -90.524
tors. eta vs tors. theta energy: -200.711
Dist. restrs. and SS energy: 11.621 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -2253.516573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.516573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.972433 (E_RNA)
where:
Base-Base interactions energy: -1578.995
where: short stacking energy: -666.396
Base-Backbone interact. energy: -2.365
local terms energy: -676.612228
where:
bonds (distance) C4'-P energy: -139.730
bonds (distance) P-C4' energy: -112.910
flat angles C4'-P-C4' energy: -145.241
flat angles P-C4'-P energy: -88.207
tors. eta vs tors. theta energy: -190.524
Dist. restrs. and SS energy: 4.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -2094.892679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.892679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.613656 (E_RNA)
where:
Base-Base interactions energy: -1507.708
where: short stacking energy: -633.354
Base-Backbone interact. energy: -2.711
local terms energy: -591.193980
where:
bonds (distance) C4'-P energy: -117.397
bonds (distance) P-C4' energy: -101.340
flat angles C4'-P-C4' energy: -129.144
flat angles P-C4'-P energy: -83.221
tors. eta vs tors. theta energy: -160.092
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: 10, replica: 7
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -2016.266330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.266330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.072721 (E_RNA)
where:
Base-Base interactions energy: -1416.615
where: short stacking energy: -577.612
Base-Backbone interact. energy: -4.009
local terms energy: -609.448136
where:
bonds (distance) C4'-P energy: -90.533
bonds (distance) P-C4' energy: -112.464
flat angles C4'-P-C4' energy: -140.438
flat angles P-C4'-P energy: -90.761
tors. eta vs tors. theta energy: -175.252
Dist. restrs. and SS energy: 13.806 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -2800.586249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.586249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.493808 (E_RNA)
where:
Base-Base interactions energy: -1969.722
where: short stacking energy: -810.057
Base-Backbone interact. energy: -2.618
local terms energy: -830.153684
where:
bonds (distance) C4'-P energy: -149.568
bonds (distance) P-C4' energy: -144.838
flat angles C4'-P-C4' energy: -168.119
flat angles P-C4'-P energy: -126.026
tors. eta vs tors. theta energy: -241.603
Dist. restrs. and SS energy: 1.908 (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: 489
Temperature: 0.950000
Total energy: -2749.983011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2749.983011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2752.815801 (E_RNA)
where:
Base-Base interactions energy: -1905.910
where: short stacking energy: -807.712
Base-Backbone interact. energy: -3.519
local terms energy: -843.387536
where:
bonds (distance) C4'-P energy: -141.026
bonds (distance) P-C4' energy: -159.567
flat angles C4'-P-C4' energy: -170.041
flat angles P-C4'-P energy: -118.620
tors. eta vs tors. theta energy: -254.134
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: 3, replica: 2
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -2668.233970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.233970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.793263 (E_RNA)
where:
Base-Base interactions energy: -1851.052
where: short stacking energy: -804.982
Base-Backbone interact. energy: -1.886
local terms energy: -816.854466
where:
bonds (distance) C4'-P energy: -139.613
bonds (distance) P-C4' energy: -131.332
flat angles C4'-P-C4' energy: -174.830
flat angles P-C4'-P energy: -112.635
tors. eta vs tors. theta energy: -258.444
Dist. restrs. and SS energy: 1.559 (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: 8
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -2556.533898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.533898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.351412 (E_RNA)
where:
Base-Base interactions energy: -1815.052
where: short stacking energy: -748.912
Base-Backbone interact. energy: -3.999
local terms energy: -742.300900
where:
bonds (distance) C4'-P energy: -127.232
bonds (distance) P-C4' energy: -132.816
flat angles C4'-P-C4' energy: -161.373
flat angles P-C4'-P energy: -85.701
tors. eta vs tors. theta energy: -235.180
Dist. restrs. and SS energy: 4.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -2389.062656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.062656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.163841 (E_RNA)
where:
Base-Base interactions energy: -1665.405
where: short stacking energy: -692.730
Base-Backbone interact. energy: -0.816
local terms energy: -728.942594
where:
bonds (distance) C4'-P energy: -118.935
bonds (distance) P-C4' energy: -143.485
flat angles C4'-P-C4' energy: -164.414
flat angles P-C4'-P energy: -102.045
tors. eta vs tors. theta energy: -200.064
Dist. restrs. and SS energy: 6.101 (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: 489
Temperature: 1.150000
Total energy: -2319.666664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.666664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.916124 (E_RNA)
where:
Base-Base interactions energy: -1621.184
where: short stacking energy: -685.476
Base-Backbone interact. energy: -1.923
local terms energy: -703.809355
where:
bonds (distance) C4'-P energy: -118.805
bonds (distance) P-C4' energy: -128.813
flat angles C4'-P-C4' energy: -160.775
flat angles P-C4'-P energy: -86.194
tors. eta vs tors. theta energy: -209.222
Dist. restrs. and SS energy: 7.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -2275.122859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.122859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.211304 (E_RNA)
where:
Base-Base interactions energy: -1600.320
where: short stacking energy: -663.806
Base-Backbone interact. energy: 0.818
local terms energy: -684.708924
where:
bonds (distance) C4'-P energy: -130.007
bonds (distance) P-C4' energy: -121.176
flat angles C4'-P-C4' energy: -158.864
flat angles P-C4'-P energy: -81.688
tors. eta vs tors. theta energy: -192.974
Dist. restrs. and SS energy: 9.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -2243.348633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.348633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.392315 (E_RNA)
where:
Base-Base interactions energy: -1589.031
where: short stacking energy: -660.258
Base-Backbone interact. energy: -0.524
local terms energy: -657.838012
where:
bonds (distance) C4'-P energy: -90.103
bonds (distance) P-C4' energy: -121.277
flat angles C4'-P-C4' energy: -155.038
flat angles P-C4'-P energy: -91.490
tors. eta vs tors. theta energy: -199.929
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: 9, replica: 6
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -2075.257979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.257979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.359205 (E_RNA)
where:
Base-Base interactions energy: -1469.820
where: short stacking energy: -605.173
Base-Backbone interact. energy: -1.662
local terms energy: -615.878091
where:
bonds (distance) C4'-P energy: -107.009
bonds (distance) P-C4' energy: -104.507
flat angles C4'-P-C4' energy: -149.356
flat angles P-C4'-P energy: -78.978
tors. eta vs tors. theta energy: -176.028
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: 10, replica: 7
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -2022.532824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.532824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.960759 (E_RNA)
where:
Base-Base interactions energy: -1442.748
where: short stacking energy: -561.165
Base-Backbone interact. energy: -3.284
local terms energy: -589.928095
where:
bonds (distance) C4'-P energy: -129.375
bonds (distance) P-C4' energy: -96.655
flat angles C4'-P-C4' energy: -126.266
flat angles P-C4'-P energy: -80.352
tors. eta vs tors. theta energy: -157.280
Dist. restrs. and SS energy: 13.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -2788.598838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.598838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.311343 (E_RNA)
where:
Base-Base interactions energy: -1977.535
where: short stacking energy: -832.501
Base-Backbone interact. energy: -4.141
local terms energy: -809.635056
where:
bonds (distance) C4'-P energy: -150.519
bonds (distance) P-C4' energy: -121.520
flat angles C4'-P-C4' energy: -170.137
flat angles P-C4'-P energy: -120.999
tors. eta vs tors. theta energy: -246.460
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: 490
Temperature: 0.950000
Total energy: -2733.652409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.652409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.986798 (E_RNA)
where:
Base-Base interactions energy: -1922.101
where: short stacking energy: -828.881
Base-Backbone interact. energy: -1.776
local terms energy: -813.109911
where:
bonds (distance) C4'-P energy: -142.125
bonds (distance) P-C4' energy: -150.934
flat angles C4'-P-C4' energy: -160.774
flat angles P-C4'-P energy: -107.877
tors. eta vs tors. theta energy: -251.399
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: 2
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -2594.886156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.886156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.691286 (E_RNA)
where:
Base-Base interactions energy: -1846.414
where: short stacking energy: -772.808
Base-Backbone interact. energy: -2.083
local terms energy: -749.194306
where:
bonds (distance) C4'-P energy: -121.989
bonds (distance) P-C4' energy: -142.891
flat angles C4'-P-C4' energy: -157.409
flat angles P-C4'-P energy: -101.169
tors. eta vs tors. theta energy: -225.736
Dist. restrs. and SS energy: 2.805 (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: 490
Temperature: 1.050000
Total energy: -2566.443363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.443363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.537042 (E_RNA)
where:
Base-Base interactions energy: -1832.061
where: short stacking energy: -766.058
Base-Backbone interact. energy: -4.057
local terms energy: -736.419193
where:
bonds (distance) C4'-P energy: -123.959
bonds (distance) P-C4' energy: -130.115
flat angles C4'-P-C4' energy: -156.437
flat angles P-C4'-P energy: -106.846
tors. eta vs tors. theta energy: -219.062
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: 4
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -2371.577050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.577050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.924607 (E_RNA)
where:
Base-Base interactions energy: -1656.807
where: short stacking energy: -682.740
Base-Backbone interact. energy: -0.896
local terms energy: -723.222478
where:
bonds (distance) C4'-P energy: -130.367
bonds (distance) P-C4' energy: -124.251
flat angles C4'-P-C4' energy: -151.431
flat angles P-C4'-P energy: -114.332
tors. eta vs tors. theta energy: -202.841
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: 6, replica: 5
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -2318.729517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.729517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.017270 (E_RNA)
where:
Base-Base interactions energy: -1665.495
where: short stacking energy: -712.645
Base-Backbone interact. energy: 1.942
local terms energy: -662.464086
where:
bonds (distance) C4'-P energy: -103.655
bonds (distance) P-C4' energy: -125.890
flat angles C4'-P-C4' energy: -148.881
flat angles P-C4'-P energy: -94.089
tors. eta vs tors. theta energy: -189.948
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: 7, replica: 1
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -2287.266269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.266269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.633142 (E_RNA)
where:
Base-Base interactions energy: -1609.681
where: short stacking energy: -693.051
Base-Backbone interact. energy: -2.080
local terms energy: -684.871151
where:
bonds (distance) C4'-P energy: -113.185
bonds (distance) P-C4' energy: -109.795
flat angles C4'-P-C4' energy: -147.004
flat angles P-C4'-P energy: -108.055
tors. eta vs tors. theta energy: -206.832
Dist. restrs. and SS energy: 9.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -2215.537891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.537891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.297601 (E_RNA)
where:
Base-Base interactions energy: -1580.748
where: short stacking energy: -672.964
Base-Backbone interact. energy: -4.507
local terms energy: -639.042495
where:
bonds (distance) C4'-P energy: -103.046
bonds (distance) P-C4' energy: -109.717
flat angles C4'-P-C4' energy: -145.525
flat angles P-C4'-P energy: -88.707
tors. eta vs tors. theta energy: -192.047
Dist. restrs. and SS energy: 8.760 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -2043.931864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.931864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.183797 (E_RNA)
where:
Base-Base interactions energy: -1433.556
where: short stacking energy: -584.480
Base-Backbone interact. energy: -1.911
local terms energy: -622.716038
where:
bonds (distance) C4'-P energy: -117.589
bonds (distance) P-C4' energy: -114.634
flat angles C4'-P-C4' energy: -116.354
flat angles P-C4'-P energy: -89.264
tors. eta vs tors. theta energy: -184.875
Dist. restrs. and SS energy: 14.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -1982.180219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.180219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.071281 (E_RNA)
where:
Base-Base interactions energy: -1419.437
where: short stacking energy: -570.529
Base-Backbone interact. energy: -1.592
local terms energy: -569.041631
where:
bonds (distance) C4'-P energy: -115.336
bonds (distance) P-C4' energy: -112.265
flat angles C4'-P-C4' energy: -120.051
flat angles P-C4'-P energy: -70.049
tors. eta vs tors. theta energy: -151.339
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: 1, replica: 3
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -2817.539618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.539618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.391604 (E_RNA)
where:
Base-Base interactions energy: -1997.221
where: short stacking energy: -811.004
Base-Backbone interact. energy: 0.847
local terms energy: -825.017370
where:
bonds (distance) C4'-P energy: -142.761
bonds (distance) P-C4' energy: -155.649
flat angles C4'-P-C4' energy: -169.934
flat angles P-C4'-P energy: -112.731
tors. eta vs tors. theta energy: -243.943
Dist. restrs. and SS energy: 3.852 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -2727.476185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.476185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.137500 (E_RNA)
where:
Base-Base interactions energy: -1907.770
where: short stacking energy: -820.006
Base-Backbone interact. energy: -1.708
local terms energy: -820.659636
where:
bonds (distance) C4'-P energy: -137.178
bonds (distance) P-C4' energy: -142.205
flat angles C4'-P-C4' energy: -172.456
flat angles P-C4'-P energy: -114.895
tors. eta vs tors. theta energy: -253.926
Dist. restrs. and SS energy: 2.661 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -2632.374501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.374501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.230593 (E_RNA)
where:
Base-Base interactions energy: -1829.014
where: short stacking energy: -768.279
Base-Backbone interact. energy: -2.462
local terms energy: -805.754563
where:
bonds (distance) C4'-P energy: -128.225
bonds (distance) P-C4' energy: -156.504
flat angles C4'-P-C4' energy: -168.607
flat angles P-C4'-P energy: -117.013
tors. eta vs tors. theta energy: -235.406
Dist. restrs. and SS energy: 4.856 (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: 8
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -2544.971542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.971542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.688954 (E_RNA)
where:
Base-Base interactions energy: -1803.349
where: short stacking energy: -765.007
Base-Backbone interact. energy: -5.646
local terms energy: -738.694603
where:
bonds (distance) C4'-P energy: -128.006
bonds (distance) P-C4' energy: -126.215
flat angles C4'-P-C4' energy: -163.389
flat angles P-C4'-P energy: -102.688
tors. eta vs tors. theta energy: -218.395
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: 5, replica: 4
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -2407.101072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.101072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.408984 (E_RNA)
where:
Base-Base interactions energy: -1677.206
where: short stacking energy: -697.854
Base-Backbone interact. energy: -0.010
local terms energy: -736.192545
where:
bonds (distance) C4'-P energy: -136.830
bonds (distance) P-C4' energy: -127.937
flat angles C4'-P-C4' energy: -160.932
flat angles P-C4'-P energy: -93.283
tors. eta vs tors. theta energy: -217.210
Dist. restrs. and SS energy: 6.308 (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: 5
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -2283.849318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.849318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.483517 (E_RNA)
where:
Base-Base interactions energy: -1632.351
where: short stacking energy: -686.978
Base-Backbone interact. energy: -1.402
local terms energy: -661.730521
where:
bonds (distance) C4'-P energy: -110.005
bonds (distance) P-C4' energy: -111.316
flat angles C4'-P-C4' energy: -150.789
flat angles P-C4'-P energy: -88.506
tors. eta vs tors. theta energy: -201.114
Dist. restrs. and SS energy: 11.634 (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: 1
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -2296.518503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.518503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.710858 (E_RNA)
where:
Base-Base interactions energy: -1606.102
where: short stacking energy: -684.293
Base-Backbone interact. energy: 0.653
local terms energy: -698.262138
where:
bonds (distance) C4'-P energy: -134.753
bonds (distance) P-C4' energy: -114.919
flat angles C4'-P-C4' energy: -145.713
flat angles P-C4'-P energy: -102.438
tors. eta vs tors. theta energy: -200.439
Dist. restrs. and SS energy: 7.192 (S_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: 491
Temperature: 1.250000
Total energy: -2175.226228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.226228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.286534 (E_RNA)
where:
Base-Base interactions energy: -1563.002
where: short stacking energy: -646.162
Base-Backbone interact. energy: 0.199
local terms energy: -621.484218
where:
bonds (distance) C4'-P energy: -110.142
bonds (distance) P-C4' energy: -89.892
flat angles C4'-P-C4' energy: -136.741
flat angles P-C4'-P energy: -91.213
tors. eta vs tors. theta energy: -193.497
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: 9, replica: 6
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -2065.783024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.783024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.855133 (E_RNA)
where:
Base-Base interactions energy: -1479.852
where: short stacking energy: -633.814
Base-Backbone interact. energy: 0.681
local terms energy: -602.683521
where:
bonds (distance) C4'-P energy: -104.430
bonds (distance) P-C4' energy: -119.634
flat angles C4'-P-C4' energy: -136.475
flat angles P-C4'-P energy: -75.879
tors. eta vs tors. theta energy: -166.266
Dist. restrs. and SS energy: 16.072 (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: 7
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -2055.752520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.752520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.750354 (E_RNA)
where:
Base-Base interactions energy: -1437.852
where: short stacking energy: -579.489
Base-Backbone interact. energy: -3.388
local terms energy: -628.510786
where:
bonds (distance) C4'-P energy: -115.538
bonds (distance) P-C4' energy: -114.567
flat angles C4'-P-C4' energy: -139.592
flat angles P-C4'-P energy: -81.933
tors. eta vs tors. theta energy: -176.881
Dist. restrs. and SS energy: 13.998 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -2792.229041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2792.229041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.753631 (E_RNA)
where:
Base-Base interactions energy: -1962.355
where: short stacking energy: -807.228
Base-Backbone interact. energy: -3.352
local terms energy: -830.046311
where:
bonds (distance) C4'-P energy: -142.879
bonds (distance) P-C4' energy: -143.912
flat angles C4'-P-C4' energy: -166.709
flat angles P-C4'-P energy: -134.449
tors. eta vs tors. theta energy: -242.098
Dist. restrs. and SS energy: 3.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -2732.446131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.446131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.425424 (E_RNA)
where:
Base-Base interactions energy: -1907.491
where: short stacking energy: -818.808
Base-Backbone interact. energy: 1.144
local terms energy: -830.078330
where:
bonds (distance) C4'-P energy: -145.564
bonds (distance) P-C4' energy: -142.760
flat angles C4'-P-C4' energy: -177.522
flat angles P-C4'-P energy: -113.807
tors. eta vs tors. theta energy: -250.425
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: 3, replica: 2
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -2629.343083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.343083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.022430 (E_RNA)
where:
Base-Base interactions energy: -1829.175
where: short stacking energy: -768.006
Base-Backbone interact. energy: -1.467
local terms energy: -801.380130
where:
bonds (distance) C4'-P energy: -153.560
bonds (distance) P-C4' energy: -128.657
flat angles C4'-P-C4' energy: -165.085
flat angles P-C4'-P energy: -115.412
tors. eta vs tors. theta energy: -238.665
Dist. restrs. and SS energy: 2.679 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -2571.798204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.798204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.988899 (E_RNA)
where:
Base-Base interactions energy: -1820.531
where: short stacking energy: -754.189
Base-Backbone interact. energy: 3.374
local terms energy: -758.831857
where:
bonds (distance) C4'-P energy: -135.134
bonds (distance) P-C4' energy: -129.376
flat angles C4'-P-C4' energy: -157.511
flat angles P-C4'-P energy: -109.625
tors. eta vs tors. theta energy: -227.185
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: 5, replica: 5
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -2379.976578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.976578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.473775 (E_RNA)
where:
Base-Base interactions energy: -1644.198
where: short stacking energy: -684.443
Base-Backbone interact. energy: -3.592
local terms energy: -741.683807
where:
bonds (distance) C4'-P energy: -128.902
bonds (distance) P-C4' energy: -123.053
flat angles C4'-P-C4' energy: -173.139
flat angles P-C4'-P energy: -113.938
tors. eta vs tors. theta energy: -202.652
Dist. restrs. and SS energy: 9.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -2347.510795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.510795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.971260 (E_RNA)
where:
Base-Base interactions energy: -1625.726
where: short stacking energy: -682.340
Base-Backbone interact. energy: -3.553
local terms energy: -727.693138
where:
bonds (distance) C4'-P energy: -113.501
bonds (distance) P-C4' energy: -139.461
flat angles C4'-P-C4' energy: -166.299
flat angles P-C4'-P energy: -103.829
tors. eta vs tors. theta energy: -204.602
Dist. restrs. and SS energy: 9.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -2281.316381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.316381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.312735 (E_RNA)
where:
Base-Base interactions energy: -1588.111
where: short stacking energy: -668.419
Base-Backbone interact. energy: -0.307
local terms energy: -701.895463
where:
bonds (distance) C4'-P energy: -118.895
bonds (distance) P-C4' energy: -134.797
flat angles C4'-P-C4' energy: -148.021
flat angles P-C4'-P energy: -93.825
tors. eta vs tors. theta energy: -206.357
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: 9
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -2217.846524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.846524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.487069 (E_RNA)
where:
Base-Base interactions energy: -1563.294
where: short stacking energy: -643.535
Base-Backbone interact. energy: -2.387
local terms energy: -661.806124
where:
bonds (distance) C4'-P energy: -121.410
bonds (distance) P-C4' energy: -113.105
flat angles C4'-P-C4' energy: -152.209
flat angles P-C4'-P energy: -88.393
tors. eta vs tors. theta energy: -186.689
Dist. restrs. and SS energy: 9.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -2108.872244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.872244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.300953 (E_RNA)
where:
Base-Base interactions energy: -1481.725
where: short stacking energy: -625.711
Base-Backbone interact. energy: 0.518
local terms energy: -640.093450
where:
bonds (distance) C4'-P energy: -115.799
bonds (distance) P-C4' energy: -122.697
flat angles C4'-P-C4' energy: -148.854
flat angles P-C4'-P energy: -76.689
tors. eta vs tors. theta energy: -176.055
Dist. restrs. and SS energy: 12.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -2001.185989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.185989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.784688 (E_RNA)
where:
Base-Base interactions energy: -1451.285
where: short stacking energy: -583.089
Base-Backbone interact. energy: 3.125
local terms energy: -562.624503
where:
bonds (distance) C4'-P energy: -84.411
bonds (distance) P-C4' energy: -106.331
flat angles C4'-P-C4' energy: -149.366
flat angles P-C4'-P energy: -70.187
tors. eta vs tors. theta energy: -152.329
Dist. restrs. and SS energy: 9.599 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -2798.116465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.116465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.129350 (E_RNA)
where:
Base-Base interactions energy: -1945.731
where: short stacking energy: -810.397
Base-Backbone interact. energy: -4.243
local terms energy: -852.155091
where:
bonds (distance) C4'-P energy: -157.557
bonds (distance) P-C4' energy: -154.175
flat angles C4'-P-C4' energy: -179.149
flat angles P-C4'-P energy: -117.464
tors. eta vs tors. theta energy: -243.810
Dist. restrs. and SS energy: 4.013 (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: 10
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -2738.766057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.766057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.550533 (E_RNA)
where:
Base-Base interactions energy: -1929.876
where: short stacking energy: -829.069
Base-Backbone interact. energy: 0.765
local terms energy: -813.439893
where:
bonds (distance) C4'-P energy: -144.472
bonds (distance) P-C4' energy: -145.552
flat angles C4'-P-C4' energy: -162.586
flat angles P-C4'-P energy: -106.794
tors. eta vs tors. theta energy: -254.036
Dist. restrs. and SS energy: 3.784 (S_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: 493
Temperature: 1.000000
Total energy: -2627.344998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.344998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.041270 (E_RNA)
where:
Base-Base interactions energy: -1847.178
where: short stacking energy: -784.520
Base-Backbone interact. energy: -2.691
local terms energy: -780.171876
where:
bonds (distance) C4'-P energy: -127.183
bonds (distance) P-C4' energy: -148.686
flat angles C4'-P-C4' energy: -155.705
flat angles P-C4'-P energy: -113.441
tors. eta vs tors. theta energy: -235.158
Dist. restrs. and SS energy: 2.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -2566.575285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.575285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.463791 (E_RNA)
where:
Base-Base interactions energy: -1804.033
where: short stacking energy: -773.990
Base-Backbone interact. energy: -3.256
local terms energy: -765.174526
where:
bonds (distance) C4'-P energy: -117.830
bonds (distance) P-C4' energy: -123.128
flat angles C4'-P-C4' energy: -169.554
flat angles P-C4'-P energy: -114.072
tors. eta vs tors. theta energy: -240.590
Dist. restrs. and SS energy: 5.889 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -2414.333313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.333313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.097334 (E_RNA)
where:
Base-Base interactions energy: -1716.246
where: short stacking energy: -725.131
Base-Backbone interact. energy: -3.015
local terms energy: -700.836149
where:
bonds (distance) C4'-P energy: -117.149
bonds (distance) P-C4' energy: -127.855
flat angles C4'-P-C4' energy: -144.977
flat angles P-C4'-P energy: -91.359
tors. eta vs tors. theta energy: -219.496
Dist. restrs. and SS energy: 5.764 (S_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: 493
Temperature: 1.150000
Total energy: -2333.951448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.951448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.273767 (E_RNA)
where:
Base-Base interactions energy: -1604.242
where: short stacking energy: -679.901
Base-Backbone interact. energy: -0.415
local terms energy: -737.615832
where:
bonds (distance) C4'-P energy: -132.667
bonds (distance) P-C4' energy: -135.174
flat angles C4'-P-C4' energy: -154.026
flat angles P-C4'-P energy: -107.564
tors. eta vs tors. theta energy: -208.186
Dist. restrs. and SS energy: 8.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -2290.228298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.228298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.429104 (E_RNA)
where:
Base-Base interactions energy: -1599.692
where: short stacking energy: -666.887
Base-Backbone interact. energy: -2.211
local terms energy: -699.526398
where:
bonds (distance) C4'-P energy: -122.537
bonds (distance) P-C4' energy: -135.056
flat angles C4'-P-C4' energy: -147.444
flat angles P-C4'-P energy: -93.229
tors. eta vs tors. theta energy: -201.260
Dist. restrs. and SS energy: 11.201 (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: 9
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -2241.000836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.000836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.445628 (E_RNA)
where:
Base-Base interactions energy: -1604.720
where: short stacking energy: -672.616
Base-Backbone interact. energy: 3.348
local terms energy: -646.074092
where:
bonds (distance) C4'-P energy: -103.457
bonds (distance) P-C4' energy: -125.886
flat angles C4'-P-C4' energy: -140.707
flat angles P-C4'-P energy: -81.443
tors. eta vs tors. theta energy: -194.582
Dist. restrs. and SS energy: 6.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -2089.016850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.016850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.416827 (E_RNA)
where:
Base-Base interactions energy: -1460.593
where: short stacking energy: -609.129
Base-Backbone interact. energy: -2.175
local terms energy: -637.648708
where:
bonds (distance) C4'-P energy: -114.094
bonds (distance) P-C4' energy: -115.146
flat angles C4'-P-C4' energy: -151.192
flat angles P-C4'-P energy: -73.311
tors. eta vs tors. theta energy: -183.906
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: 10, replica: 6
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -1972.474500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.474500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.062538 (E_RNA)
where:
Base-Base interactions energy: -1405.289
where: short stacking energy: -582.874
Base-Backbone interact. energy: 0.354
local terms energy: -581.127857
where:
bonds (distance) C4'-P energy: -94.270
bonds (distance) P-C4' energy: -138.802
flat angles C4'-P-C4' energy: -125.827
flat angles P-C4'-P energy: -63.491
tors. eta vs tors. theta energy: -158.739
Dist. restrs. and SS energy: 13.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -2794.470214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.470214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.616848 (E_RNA)
where:
Base-Base interactions energy: -1954.320
where: short stacking energy: -851.491
Base-Backbone interact. energy: -1.049
local terms energy: -842.248054
where:
bonds (distance) C4'-P energy: -141.865
bonds (distance) P-C4' energy: -150.078
flat angles C4'-P-C4' energy: -179.606
flat angles P-C4'-P energy: -112.689
tors. eta vs tors. theta energy: -258.010
Dist. restrs. and SS energy: 3.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -2745.544045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.544045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.440524 (E_RNA)
where:
Base-Base interactions energy: -1937.635
where: short stacking energy: -801.131
Base-Backbone interact. energy: -3.398
local terms energy: -807.407450
where:
bonds (distance) C4'-P energy: -150.209
bonds (distance) P-C4' energy: -146.062
flat angles C4'-P-C4' energy: -149.740
flat angles P-C4'-P energy: -115.293
tors. eta vs tors. theta energy: -246.102
Dist. restrs. and SS energy: 2.896 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -2620.104355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.104355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.404530 (E_RNA)
where:
Base-Base interactions energy: -1839.173
where: short stacking energy: -774.250
Base-Backbone interact. energy: 2.307
local terms energy: -787.538190
where:
bonds (distance) C4'-P energy: -140.396
bonds (distance) P-C4' energy: -138.058
flat angles C4'-P-C4' energy: -161.304
flat angles P-C4'-P energy: -119.064
tors. eta vs tors. theta energy: -228.716
Dist. restrs. and SS energy: 4.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -2570.449819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.449819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.506895 (E_RNA)
where:
Base-Base interactions energy: -1812.809
where: short stacking energy: -768.404
Base-Backbone interact. energy: 2.439
local terms energy: -764.136943
where:
bonds (distance) C4'-P energy: -112.116
bonds (distance) P-C4' energy: -138.279
flat angles C4'-P-C4' energy: -157.867
flat angles P-C4'-P energy: -112.828
tors. eta vs tors. theta energy: -243.046
Dist. restrs. and SS energy: 4.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -2418.593561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.593561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.286030 (E_RNA)
where:
Base-Base interactions energy: -1684.051
where: short stacking energy: -708.177
Base-Backbone interact. energy: -2.435
local terms energy: -739.800266
where:
bonds (distance) C4'-P energy: -139.800
bonds (distance) P-C4' energy: -144.268
flat angles C4'-P-C4' energy: -151.268
flat angles P-C4'-P energy: -97.608
tors. eta vs tors. theta energy: -206.856
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: 6, replica: 4
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -2346.793204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.793204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.013662 (E_RNA)
where:
Base-Base interactions energy: -1656.595
where: short stacking energy: -698.350
Base-Backbone interact. energy: -1.939
local terms energy: -692.480177
where:
bonds (distance) C4'-P energy: -131.189
bonds (distance) P-C4' energy: -141.142
flat angles C4'-P-C4' energy: -141.311
flat angles P-C4'-P energy: -98.011
tors. eta vs tors. theta energy: -180.826
Dist. restrs. and SS energy: 4.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -2271.063064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.063064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.271693 (E_RNA)
where:
Base-Base interactions energy: -1617.726
where: short stacking energy: -679.761
Base-Backbone interact. energy: -0.728
local terms energy: -661.817837
where:
bonds (distance) C4'-P energy: -104.785
bonds (distance) P-C4' energy: -112.322
flat angles C4'-P-C4' energy: -149.684
flat angles P-C4'-P energy: -92.776
tors. eta vs tors. theta energy: -202.251
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: 8, replica: 9
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -2202.592592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.592592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.536632 (E_RNA)
where:
Base-Base interactions energy: -1584.456
where: short stacking energy: -653.041
Base-Backbone interact. energy: -0.717
local terms energy: -623.364099
where:
bonds (distance) C4'-P energy: -106.097
bonds (distance) P-C4' energy: -113.674
flat angles C4'-P-C4' energy: -140.822
flat angles P-C4'-P energy: -73.650
tors. eta vs tors. theta energy: -189.120
Dist. restrs. and SS energy: 5.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -2058.155941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.155941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.877438 (E_RNA)
where:
Base-Base interactions energy: -1463.163
where: short stacking energy: -607.362
Base-Backbone interact. energy: -2.570
local terms energy: -601.144508
where:
bonds (distance) C4'-P energy: -96.034
bonds (distance) P-C4' energy: -124.679
flat angles C4'-P-C4' energy: -122.713
flat angles P-C4'-P energy: -86.319
tors. eta vs tors. theta energy: -171.400
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: 10, replica: 6
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -1978.446975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.446975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.232021 (E_RNA)
where:
Base-Base interactions energy: -1387.048
where: short stacking energy: -550.312
Base-Backbone interact. energy: -2.018
local terms energy: -606.165930
where:
bonds (distance) C4'-P energy: -107.386
bonds (distance) P-C4' energy: -125.418
flat angles C4'-P-C4' energy: -138.340
flat angles P-C4'-P energy: -83.744
tors. eta vs tors. theta energy: -151.278
Dist. restrs. and SS energy: 16.785 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -2792.000794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2792.000794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.789589 (E_RNA)
where:
Base-Base interactions energy: -1965.677
where: short stacking energy: -844.045
Base-Backbone interact. energy: 0.684
local terms energy: -829.795677
where:
bonds (distance) C4'-P energy: -147.169
bonds (distance) P-C4' energy: -135.325
flat angles C4'-P-C4' energy: -172.161
flat angles P-C4'-P energy: -121.153
tors. eta vs tors. theta energy: -253.987
Dist. restrs. and SS energy: 2.789 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -2716.313933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.313933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.301703 (E_RNA)
where:
Base-Base interactions energy: -1909.027
where: short stacking energy: -792.405
Base-Backbone interact. energy: -4.277
local terms energy: -806.998644
where:
bonds (distance) C4'-P energy: -145.359
bonds (distance) P-C4' energy: -143.143
flat angles C4'-P-C4' energy: -159.438
flat angles P-C4'-P energy: -114.267
tors. eta vs tors. theta energy: -244.792
Dist. restrs. and SS energy: 3.988 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -2641.954156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.954156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.895466 (E_RNA)
where:
Base-Base interactions energy: -1849.589
where: short stacking energy: -787.414
Base-Backbone interact. energy: -2.148
local terms energy: -795.158633
where:
bonds (distance) C4'-P energy: -147.782
bonds (distance) P-C4' energy: -144.527
flat angles C4'-P-C4' energy: -157.152
flat angles P-C4'-P energy: -106.744
tors. eta vs tors. theta energy: -238.953
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: 4, replica: 8
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -2571.947834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.947834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.264888 (E_RNA)
where:
Base-Base interactions energy: -1798.996
where: short stacking energy: -777.887
Base-Backbone interact. energy: -3.011
local terms energy: -772.257674
where:
bonds (distance) C4'-P energy: -122.787
bonds (distance) P-C4' energy: -128.007
flat angles C4'-P-C4' energy: -164.800
flat angles P-C4'-P energy: -119.108
tors. eta vs tors. theta energy: -237.556
Dist. restrs. and SS energy: 2.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -2465.267286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.267286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.708810 (E_RNA)
where:
Base-Base interactions energy: -1750.379
where: short stacking energy: -737.095
Base-Backbone interact. energy: 3.344
local terms energy: -721.673466
where:
bonds (distance) C4'-P energy: -119.659
bonds (distance) P-C4' energy: -129.619
flat angles C4'-P-C4' energy: -149.722
flat angles P-C4'-P energy: -101.230
tors. eta vs tors. theta energy: -221.442
Dist. restrs. and SS energy: 3.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -2363.125163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.125163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.708301 (E_RNA)
where:
Base-Base interactions energy: -1674.397
where: short stacking energy: -696.508
Base-Backbone interact. energy: -1.911
local terms energy: -696.400436
where:
bonds (distance) C4'-P energy: -119.214
bonds (distance) P-C4' energy: -134.843
flat angles C4'-P-C4' energy: -148.129
flat angles P-C4'-P energy: -99.040
tors. eta vs tors. theta energy: -195.174
Dist. restrs. and SS energy: 9.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -2290.521741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.521741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.510654 (E_RNA)
where:
Base-Base interactions energy: -1637.733
where: short stacking energy: -684.837
Base-Backbone interact. energy: -1.184
local terms energy: -661.593377
where:
bonds (distance) C4'-P energy: -107.423
bonds (distance) P-C4' energy: -123.744
flat angles C4'-P-C4' energy: -145.401
flat angles P-C4'-P energy: -99.380
tors. eta vs tors. theta energy: -185.645
Dist. restrs. and SS energy: 9.989 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -2237.264854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.264854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.907234 (E_RNA)
where:
Base-Base interactions energy: -1590.392
where: short stacking energy: -640.844
Base-Backbone interact. energy: 4.612
local terms energy: -657.127882
where:
bonds (distance) C4'-P energy: -111.505
bonds (distance) P-C4' energy: -126.559
flat angles C4'-P-C4' energy: -123.754
flat angles P-C4'-P energy: -93.930
tors. eta vs tors. theta energy: -201.379
Dist. restrs. and SS energy: 5.642 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -2020.262348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.262348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.717545 (E_RNA)
where:
Base-Base interactions energy: -1443.053
where: short stacking energy: -603.401
Base-Backbone interact. energy: -4.472
local terms energy: -589.192134
where:
bonds (distance) C4'-P energy: -90.828
bonds (distance) P-C4' energy: -115.858
flat angles C4'-P-C4' energy: -139.314
flat angles P-C4'-P energy: -82.786
tors. eta vs tors. theta energy: -160.406
Dist. restrs. and SS energy: 16.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -1993.542262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.542262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.395023 (E_RNA)
where:
Base-Base interactions energy: -1425.062
where: short stacking energy: -592.801
Base-Backbone interact. energy: 0.095
local terms energy: -585.428197
where:
bonds (distance) C4'-P energy: -104.786
bonds (distance) P-C4' energy: -87.781
flat angles C4'-P-C4' energy: -135.739
flat angles P-C4'-P energy: -78.876
tors. eta vs tors. theta energy: -178.245
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: 1, replica: 10
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -2809.356935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.356935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.374332 (E_RNA)
where:
Base-Base interactions energy: -1946.505
where: short stacking energy: -846.066
Base-Backbone interact. energy: -1.837
local terms energy: -864.032094
where:
bonds (distance) C4'-P energy: -151.184
bonds (distance) P-C4' energy: -144.862
flat angles C4'-P-C4' energy: -178.738
flat angles P-C4'-P energy: -131.528
tors. eta vs tors. theta energy: -257.719
Dist. restrs. and SS energy: 3.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -2759.726781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.726781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.805087 (E_RNA)
where:
Base-Base interactions energy: -1940.000
where: short stacking energy: -819.395
Base-Backbone interact. energy: -2.329
local terms energy: -820.476103
where:
bonds (distance) C4'-P energy: -137.067
bonds (distance) P-C4' energy: -146.388
flat angles C4'-P-C4' energy: -164.988
flat angles P-C4'-P energy: -121.594
tors. eta vs tors. theta energy: -250.439
Dist. restrs. and SS energy: 3.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -2622.646477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.646477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.942062 (E_RNA)
where:
Base-Base interactions energy: -1826.718
where: short stacking energy: -761.457
Base-Backbone interact. energy: -4.304
local terms energy: -795.920246
where:
bonds (distance) C4'-P energy: -140.357
bonds (distance) P-C4' energy: -143.690
flat angles C4'-P-C4' energy: -164.635
flat angles P-C4'-P energy: -114.745
tors. eta vs tors. theta energy: -232.494
Dist. restrs. and SS energy: 4.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -2576.161426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.161426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.414651 (E_RNA)
where:
Base-Base interactions energy: -1789.057
where: short stacking energy: -785.109
Base-Backbone interact. energy: -1.308
local terms energy: -788.049066
where:
bonds (distance) C4'-P energy: -125.298
bonds (distance) P-C4' energy: -142.298
flat angles C4'-P-C4' energy: -170.640
flat angles P-C4'-P energy: -114.200
tors. eta vs tors. theta energy: -235.612
Dist. restrs. and SS energy: 2.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -2425.935543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.935543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.886457 (E_RNA)
where:
Base-Base interactions energy: -1721.317
where: short stacking energy: -729.351
Base-Backbone interact. energy: -3.939
local terms energy: -703.630181
where:
bonds (distance) C4'-P energy: -124.800
bonds (distance) P-C4' energy: -122.651
flat angles C4'-P-C4' energy: -157.216
flat angles P-C4'-P energy: -99.356
tors. eta vs tors. theta energy: -199.607
Dist. restrs. and SS energy: 2.951 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -2346.674219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.674219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.834380 (E_RNA)
where:
Base-Base interactions energy: -1684.462
where: short stacking energy: -708.782
Base-Backbone interact. energy: -0.156
local terms energy: -670.216855
where:
bonds (distance) C4'-P energy: -107.284
bonds (distance) P-C4' energy: -123.682
flat angles C4'-P-C4' energy: -139.387
flat angles P-C4'-P energy: -89.622
tors. eta vs tors. theta energy: -210.242
Dist. restrs. and SS energy: 8.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -2285.432131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.432131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.590138 (E_RNA)
where:
Base-Base interactions energy: -1607.630
where: short stacking energy: -674.239
Base-Backbone interact. energy: -2.135
local terms energy: -684.825174
where:
bonds (distance) C4'-P energy: -126.301
bonds (distance) P-C4' energy: -132.550
flat angles C4'-P-C4' energy: -143.255
flat angles P-C4'-P energy: -85.630
tors. eta vs tors. theta energy: -197.088
Dist. restrs. and SS energy: 9.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -2215.838934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.838934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.410976 (E_RNA)
where:
Base-Base interactions energy: -1564.757
where: short stacking energy: -660.862
Base-Backbone interact. energy: -2.040
local terms energy: -654.613568
where:
bonds (distance) C4'-P energy: -115.756
bonds (distance) P-C4' energy: -123.177
flat angles C4'-P-C4' energy: -139.312
flat angles P-C4'-P energy: -89.845
tors. eta vs tors. theta energy: -186.523
Dist. restrs. and SS energy: 5.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -2074.113995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.113995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.505979 (E_RNA)
where:
Base-Base interactions energy: -1490.035
where: short stacking energy: -629.419
Base-Backbone interact. energy: -2.345
local terms energy: -602.125326
where:
bonds (distance) C4'-P energy: -91.231
bonds (distance) P-C4' energy: -115.887
flat angles C4'-P-C4' energy: -130.596
flat angles P-C4'-P energy: -104.456
tors. eta vs tors. theta energy: -159.955
Dist. restrs. and SS energy: 20.392 (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: 7
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -1939.964673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.964673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.352693 (E_RNA)
where:
Base-Base interactions energy: -1361.277
where: short stacking energy: -568.131
Base-Backbone interact. energy: 3.290
local terms energy: -595.365711
where:
bonds (distance) C4'-P energy: -99.814
bonds (distance) P-C4' energy: -114.476
flat angles C4'-P-C4' energy: -138.822
flat angles P-C4'-P energy: -83.822
tors. eta vs tors. theta energy: -158.432
Dist. restrs. and SS energy: 13.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)