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/1-c06ca4fa/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1-c06ca4fa/inputs/seq.fa: 1
curr_seq: _AUUAAAGGUUUAUACCUUCCCAGGUAACAAACCAACCAACUUUCGAUCUCUUGUAGAUCUGUUCUCUAAACGAACUUUAAAAUCUGUGUGGCUGUCACUCGGCUGCAUGCUUAGUGCACUCACGCAGUAUAAUUAAUAACUAAUUACUGUCGUUGACAGGACACGAGUAACUCGUCUAUCUUCUGCAGGCUGCUUACGGUUUCGUCCGUGUUGCAGCCGAUCAUCAGCACAUCUAGGUUUCGUCCGGGUGUGACCGAAAGGUAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUUAAAGGUUUAUACCUUCCCAGGUAACAAACCAACCAACUUUCGAUCUCUUGUAGAUCUGUUCUCUAAACGAACUUUAAAAUCUGUGUGGCUGUCACUCGGCUGCAUGCUUAGUGCACUCACGCAGUAUAAUUAAUAACUAAUUACUGUCGUUGACAGGACACGAGUAACUCGUCUAUCUUCUGCAGGCUGCUUACGGUUUCGUCCGUGUUGCAGCCGAUCAUCAGCACAUCUAGGUUUCGUCCGGGUGUGACCGAAAGGUAAG
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 265 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: 1330
n_atoms_counter: 1330
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _......(((((.(((((....)))))..)))))...........(((((.....))))).((((.......))))........((((((((.((.((((.(((.....))).)))))).))))))))....................................................((((((..((((((.(((((......)))))..))))))......)))(((((((.((......)))))))))(((....))))))_
nucl1: 16, chain1: 0, <---> nucl2: 21, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 21
nucl1: 15, chain1: 0, <---> nucl2: 22, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 22
nucl1: 14, chain1: 0, <---> nucl2: 23, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 23
nucl1: 13, chain1: 0, <---> nucl2: 24, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 24
nucl1: 12, chain1: 0, <---> nucl2: 25, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 25
nucl1: 10, chain1: 0, <---> nucl2: 28, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 28
nucl1: 9, chain1: 0, <---> nucl2: 29, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 29
nucl1: 8, chain1: 0, <---> nucl2: 30, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 30
nucl1: 7, chain1: 0, <---> nucl2: 31, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 31
nucl1: 6, chain1: 0, <---> nucl2: 32, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 32
nucl1: 48, chain1: 0, <---> nucl2: 54, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 48, chainIndex_2: 0, nuclIndex_2: 54
nucl1: 47, chain1: 0, <---> nucl2: 55, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 47, chainIndex_2: 0, nuclIndex_2: 55
nucl1: 46, chain1: 0, <---> nucl2: 56, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 46, chainIndex_2: 0, nuclIndex_2: 56
nucl1: 45, chain1: 0, <---> nucl2: 57, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 45, chainIndex_2: 0, nuclIndex_2: 57
nucl1: 44, chain1: 0, <---> nucl2: 58, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 44, chainIndex_2: 0, nuclIndex_2: 58
nucl1: 63, chain1: 0, <---> nucl2: 71, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 63, chainIndex_2: 0, nuclIndex_2: 71
nucl1: 62, chain1: 0, <---> nucl2: 72, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 62, chainIndex_2: 0, nuclIndex_2: 72
nucl1: 61, chain1: 0, <---> nucl2: 73, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 61, chainIndex_2: 0, nuclIndex_2: 73
nucl1: 60, chain1: 0, <---> nucl2: 74, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 60, chainIndex_2: 0, nuclIndex_2: 74
nucl1: 102, chain1: 0, <---> nucl2: 108, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 102, chainIndex_2: 0, nuclIndex_2: 108
nucl1: 101, chain1: 0, <---> nucl2: 109, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 101, chainIndex_2: 0, nuclIndex_2: 109
nucl1: 100, chain1: 0, <---> nucl2: 110, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 100, chainIndex_2: 0, nuclIndex_2: 110
nucl1: 98, chain1: 0, <---> nucl2: 112, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 98, chainIndex_2: 0, nuclIndex_2: 112
nucl1: 97, chain1: 0, <---> nucl2: 113, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 97, chainIndex_2: 0, nuclIndex_2: 113
nucl1: 96, chain1: 0, <---> nucl2: 114, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 96, chainIndex_2: 0, nuclIndex_2: 114
nucl1: 95, chain1: 0, <---> nucl2: 115, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 95, chainIndex_2: 0, nuclIndex_2: 115
nucl1: 93, chain1: 0, <---> nucl2: 116, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 93, chainIndex_2: 0, nuclIndex_2: 116
nucl1: 92, chain1: 0, <---> nucl2: 117, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 92, chainIndex_2: 0, nuclIndex_2: 117
nucl1: 90, chain1: 0, <---> nucl2: 119, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 90, chainIndex_2: 0, nuclIndex_2: 119
nucl1: 89, chain1: 0, <---> nucl2: 120, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 89, chainIndex_2: 0, nuclIndex_2: 120
nucl1: 88, chain1: 0, <---> nucl2: 121, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 88, chainIndex_2: 0, nuclIndex_2: 121
nucl1: 87, chain1: 0, <---> nucl2: 122, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 87, chainIndex_2: 0, nuclIndex_2: 122
nucl1: 86, chain1: 0, <---> nucl2: 123, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 86, chainIndex_2: 0, nuclIndex_2: 123
nucl1: 85, chain1: 0, <---> nucl2: 124, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 85, chainIndex_2: 0, nuclIndex_2: 124
nucl1: 84, chain1: 0, <---> nucl2: 125, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 84, chainIndex_2: 0, nuclIndex_2: 125
nucl1: 83, chain1: 0, <---> nucl2: 126, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 83, chainIndex_2: 0, nuclIndex_2: 126
nucl1: 198, chain1: 0, <---> nucl2: 205, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 198, chainIndex_2: 0, nuclIndex_2: 205
nucl1: 197, chain1: 0, <---> nucl2: 206, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 197, chainIndex_2: 0, nuclIndex_2: 206
nucl1: 196, chain1: 0, <---> nucl2: 207, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 196, chainIndex_2: 0, nuclIndex_2: 207
nucl1: 195, chain1: 0, <---> nucl2: 208, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 195, chainIndex_2: 0, nuclIndex_2: 208
nucl1: 194, chain1: 0, <---> nucl2: 209, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 194, chainIndex_2: 0, nuclIndex_2: 209
nucl1: 192, chain1: 0, <---> nucl2: 212, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 192, chainIndex_2: 0, nuclIndex_2: 212
nucl1: 191, chain1: 0, <---> nucl2: 213, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 191, chainIndex_2: 0, nuclIndex_2: 213
nucl1: 190, chain1: 0, <---> nucl2: 214, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 190, chainIndex_2: 0, nuclIndex_2: 214
nucl1: 189, chain1: 0, <---> nucl2: 215, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 189, chainIndex_2: 0, nuclIndex_2: 215
nucl1: 188, chain1: 0, <---> nucl2: 216, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 188, chainIndex_2: 0, nuclIndex_2: 216
nucl1: 187, chain1: 0, <---> nucl2: 217, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 187, chainIndex_2: 0, nuclIndex_2: 217
nucl1: 184, chain1: 0, <---> nucl2: 224, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 184, chainIndex_2: 0, nuclIndex_2: 224
nucl1: 183, chain1: 0, <---> nucl2: 225, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 183, chainIndex_2: 0, nuclIndex_2: 225
nucl1: 182, chain1: 0, <---> nucl2: 226, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 182, chainIndex_2: 0, nuclIndex_2: 226
nucl1: 236, chain1: 0, <---> nucl2: 243, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 236, chainIndex_2: 0, nuclIndex_2: 243
nucl1: 235, chain1: 0, <---> nucl2: 244, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 235, chainIndex_2: 0, nuclIndex_2: 244
nucl1: 233, chain1: 0, <---> nucl2: 245, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 233, chainIndex_2: 0, nuclIndex_2: 245
nucl1: 232, chain1: 0, <---> nucl2: 246, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 232, chainIndex_2: 0, nuclIndex_2: 246
nucl1: 231, chain1: 0, <---> nucl2: 247, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 231, chainIndex_2: 0, nuclIndex_2: 247
nucl1: 230, chain1: 0, <---> nucl2: 248, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 230, chainIndex_2: 0, nuclIndex_2: 248
nucl1: 229, chain1: 0, <---> nucl2: 249, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 229, chainIndex_2: 0, nuclIndex_2: 249
nucl1: 228, chain1: 0, <---> nucl2: 250, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 228, chainIndex_2: 0, nuclIndex_2: 250
nucl1: 227, chain1: 0, <---> nucl2: 251, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 227, chainIndex_2: 0, nuclIndex_2: 251
nucl1: 254, chain1: 0, <---> nucl2: 259, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 254, chainIndex_2: 0, nuclIndex_2: 259
nucl1: 253, chain1: 0, <---> nucl2: 260, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 253, chainIndex_2: 0, nuclIndex_2: 260
nucl1: 252, chain1: 0, <---> nucl2: 261, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 252, chainIndex_2: 0, nuclIndex_2: 261
nucl1: 181, chain1: 0, <---> nucl2: 262, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 181, chainIndex_2: 0, nuclIndex_2: 262
nucl1: 180, chain1: 0, <---> nucl2: 263, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 180, chainIndex_2: 0, nuclIndex_2: 263
nucl1: 179, chain1: 0, <---> nucl2: 264, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 179, chainIndex_2: 0, nuclIndex_2: 264
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 265.000000 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/1-c06ca4fa/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1-c06ca4fa/inputs/seq.fa: 1
curr_seq: _AUUAAAGGUUUAUACCUUCCCAGGUAACAAACCAACCAACUUUCGAUCUCUUGUAGAUCUGUUCUCUAAACGAACUUUAAAAUCUGUGUGGCUGUCACUCGGCUGCAUGCUUAGUGCACUCACGCAGUAUAAUUAAUAACUAAUUACUGUCGUUGACAGGACACGAGUAACUCGUCUAUCUUCUGCAGGCUGCUUACGGUUUCGUCCGUGUUGCAGCCGAUCAUCAGCACAUCUAGGUUUCGUCCGGGUGUGACCGAAAGGUAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUUAAAGGUUUAUACCUUCCCAGGUAACAAACCAACCAACUUUCGAUCUCUUGUAGAUCUGUUCUCUAAACGAACUUUAAAAUCUGUGUGGCUGUCACUCGGCUGCAUGCUUAGUGCACUCACGCAGUAUAAUUAAUAACUAAUUACUGUCGUUGACAGGACACGAGUAACUCGUCUAUCUUCUGCAGGCUGCUUACGGUUUCGUCCGUGUUGCAGCCGAUCAUCAGCACAUCUAGGUUUCGUCCGGGUGUGACCGAAAGGUAAG
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 265 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: 1330
n_atoms_counter: 1330
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _......(((((.(((((....)))))..)))))...........(((((.....))))).((((.......))))........((((((((.((.((((.(((.....))).)))))).))))))))....................................................((((((..((((((.(((((......)))))..))))))......)))(((((((.((......)))))))))(((....))))))_
nucl1: 16, chain1: 0, <---> nucl2: 21, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 21
nucl1: 15, chain1: 0, <---> nucl2: 22, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 22
nucl1: 14, chain1: 0, <---> nucl2: 23, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 23
nucl1: 13, chain1: 0, <---> nucl2: 24, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 24
nucl1: 12, chain1: 0, <---> nucl2: 25, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 25
nucl1: 10, chain1: 0, <---> nucl2: 28, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 28
nucl1: 9, chain1: 0, <---> nucl2: 29, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 29
nucl1: 8, chain1: 0, <---> nucl2: 30, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 30
nucl1: 7, chain1: 0, <---> nucl2: 31, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 31
nucl1: 6, chain1: 0, <---> nucl2: 32, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 32
nucl1: 48, chain1: 0, <---> nucl2: 54, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 48, chainIndex_2: 0, nuclIndex_2: 54
nucl1: 47, chain1: 0, <---> nucl2: 55, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 47, chainIndex_2: 0, nuclIndex_2: 55
nucl1: 46, chain1: 0, <---> nucl2: 56, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 46, chainIndex_2: 0, nuclIndex_2: 56
nucl1: 45, chain1: 0, <---> nucl2: 57, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 45, chainIndex_2: 0, nuclIndex_2: 57
nucl1: 44, chain1: 0, <---> nucl2: 58, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 44, chainIndex_2: 0, nuclIndex_2: 58
nucl1: 63, chain1: 0, <---> nucl2: 71, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 63, chainIndex_2: 0, nuclIndex_2: 71
nucl1: 62, chain1: 0, <---> nucl2: 72, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 62, chainIndex_2: 0, nuclIndex_2: 72
nucl1: 61, chain1: 0, <---> nucl2: 73, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 61, chainIndex_2: 0, nuclIndex_2: 73
nucl1: 60, chain1: 0, <---> nucl2: 74, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 60, chainIndex_2: 0, nuclIndex_2: 74
nucl1: 102, chain1: 0, <---> nucl2: 108, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 102, chainIndex_2: 0, nuclIndex_2: 108
nucl1: 101, chain1: 0, <---> nucl2: 109, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 101, chainIndex_2: 0, nuclIndex_2: 109
nucl1: 100, chain1: 0, <---> nucl2: 110, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 100, chainIndex_2: 0, nuclIndex_2: 110
nucl1: 98, chain1: 0, <---> nucl2: 112, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 98, chainIndex_2: 0, nuclIndex_2: 112
nucl1: 97, chain1: 0, <---> nucl2: 113, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 97, chainIndex_2: 0, nuclIndex_2: 113
nucl1: 96, chain1: 0, <---> nucl2: 114, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 96, chainIndex_2: 0, nuclIndex_2: 114
nucl1: 95, chain1: 0, <---> nucl2: 115, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 95, chainIndex_2: 0, nuclIndex_2: 115
nucl1: 93, chain1: 0, <---> nucl2: 116, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 93, chainIndex_2: 0, nuclIndex_2: 116
nucl1: 92, chain1: 0, <---> nucl2: 117, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 92, chainIndex_2: 0, nuclIndex_2: 117
nucl1: 90, chain1: 0, <---> nucl2: 119, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 90, chainIndex_2: 0, nuclIndex_2: 119
nucl1: 89, chain1: 0, <---> nucl2: 120, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 89, chainIndex_2: 0, nuclIndex_2: 120
nucl1: 88, chain1: 0, <---> nucl2: 121, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 88, chainIndex_2: 0, nuclIndex_2: 121
nucl1: 87, chain1: 0, <---> nucl2: 122, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 87, chainIndex_2: 0, nuclIndex_2: 122
nucl1: 86, chain1: 0, <---> nucl2: 123, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 86, chainIndex_2: 0, nuclIndex_2: 123
nucl1: 85, chain1: 0, <---> nucl2: 124, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 85, chainIndex_2: 0, nuclIndex_2: 124
nucl1: 84, chain1: 0, <---> nucl2: 125, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 84, chainIndex_2: 0, nuclIndex_2: 125
nucl1: 83, chain1: 0, <---> nucl2: 126, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 83, chainIndex_2: 0, nuclIndex_2: 126
nucl1: 198, chain1: 0, <---> nucl2: 205, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 198, chainIndex_2: 0, nuclIndex_2: 205
nucl1: 197, chain1: 0, <---> nucl2: 206, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 197, chainIndex_2: 0, nuclIndex_2: 206
nucl1: 196, chain1: 0, <---> nucl2: 207, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 196, chainIndex_2: 0, nuclIndex_2: 207
nucl1: 195, chain1: 0, <---> nucl2: 208, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 195, chainIndex_2: 0, nuclIndex_2: 208
nucl1: 194, chain1: 0, <---> nucl2: 209, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 194, chainIndex_2: 0, nuclIndex_2: 209
nucl1: 192, chain1: 0, <---> nucl2: 212, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 192, chainIndex_2: 0, nuclIndex_2: 212
nucl1: 191, chain1: 0, <---> nucl2: 213, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 191, chainIndex_2: 0, nuclIndex_2: 213
nucl1: 190, chain1: 0, <---> nucl2: 214, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 190, chainIndex_2: 0, nuclIndex_2: 214
nucl1: 189, chain1: 0, <---> nucl2: 215, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 189, chainIndex_2: 0, nuclIndex_2: 215
nucl1: 188, chain1: 0, <---> nucl2: 216, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 188, chainIndex_2: 0, nuclIndex_2: 216
nucl1: 187, chain1: 0, <---> nucl2: 217, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 187, chainIndex_2: 0, nuclIndex_2: 217
nucl1: 184, chain1: 0, <---> nucl2: 224, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 184, chainIndex_2: 0, nuclIndex_2: 224
nucl1: 183, chain1: 0, <---> nucl2: 225, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 183, chainIndex_2: 0, nuclIndex_2: 225
nucl1: 182, chain1: 0, <---> nucl2: 226, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 182, chainIndex_2: 0, nuclIndex_2: 226
nucl1: 236, chain1: 0, <---> nucl2: 243, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 236, chainIndex_2: 0, nuclIndex_2: 243
nucl1: 235, chain1: 0, <---> nucl2: 244, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 235, chainIndex_2: 0, nuclIndex_2: 244
nucl1: 233, chain1: 0, <---> nucl2: 245, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 233, chainIndex_2: 0, nuclIndex_2: 245
nucl1: 232, chain1: 0, <---> nucl2: 246, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 232, chainIndex_2: 0, nuclIndex_2: 246
nucl1: 231, chain1: 0, <---> nucl2: 247, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 231, chainIndex_2: 0, nuclIndex_2: 247
nucl1: 230, chain1: 0, <---> nucl2: 248, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 230, chainIndex_2: 0, nuclIndex_2: 248
nucl1: 229, chain1: 0, <---> nucl2: 249, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 229, chainIndex_2: 0, nuclIndex_2: 249
nucl1: 228, chain1: 0, <---> nucl2: 250, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 228, chainIndex_2: 0, nuclIndex_2: 250
nucl1: 227, chain1: 0, <---> nucl2: 251, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 227, chainIndex_2: 0, nuclIndex_2: 251
nucl1: 254, chain1: 0, <---> nucl2: 259, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 254, chainIndex_2: 0, nuclIndex_2: 259
nucl1: 253, chain1: 0, <---> nucl2: 260, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 253, chainIndex_2: 0, nuclIndex_2: 260
nucl1: 252, chain1: 0, <---> nucl2: 261, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 252, chainIndex_2: 0, nuclIndex_2: 261
nucl1: 181, chain1: 0, <---> nucl2: 262, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 181, chainIndex_2: 0, nuclIndex_2: 262
nucl1: 180, chain1: 0, <---> nucl2: 263, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 180, chainIndex_2: 0, nuclIndex_2: 263
nucl1: 179, chain1: 0, <---> nucl2: 264, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 179, chainIndex_2: 0, nuclIndex_2: 264
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 265.000000 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/1-c06ca4fa/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1-c06ca4fa/inputs/seq.fa: 1
curr_seq: _AUUAAAGGUUUAUACCUUCCCAGGUAACAAACCAACCAACUUUCGAUCUCUUGUAGAUCUGUUCUCUAAACGAACUUUAAAAUCUGUGUGGCUGUCACUCGGCUGCAUGCUUAGUGCACUCACGCAGUAUAAUUAAUAACUAAUUACUGUCGUUGACAGGACACGAGUAACUCGUCUAUCUUCUGCAGGCUGCUUACGGUUUCGUCCGUGUUGCAGCCGAUCAUCAGCACAUCUAGGUUUCGUCCGGGUGUGACCGAAAGGUAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUUAAAGGUUUAUACCUUCCCAGGUAACAAACCAACCAACUUUCGAUCUCUUGUAGAUCUGUUCUCUAAACGAACUUUAAAAUCUGUGUGGCUGUCACUCGGCUGCAUGCUUAGUGCACUCACGCAGUAUAAUUAAUAACUAAUUACUGUCGUUGACAGGACACGAGUAACUCGUCUAUCUUCUGCAGGCUGCUUACGGUUUCGUCCGUGUUGCAGCCGAUCAUCAGCACAUCUAGGUUUCGUCCGGGUGUGACCGAAAGGUAAG
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 265 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: 1330
n_atoms_counter: 1330
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _......(((((.(((((....)))))..)))))...........(((((.....))))).((((.......))))........((((((((.((.((((.(((.....))).)))))).))))))))....................................................((((((..((((((.(((((......)))))..))))))......)))(((((((.((......)))))))))(((....))))))_
nucl1: 16, chain1: 0, <---> nucl2: 21, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 21
nucl1: 15, chain1: 0, <---> nucl2: 22, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 22
nucl1: 14, chain1: 0, <---> nucl2: 23, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 23
nucl1: 13, chain1: 0, <---> nucl2: 24, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 24
nucl1: 12, chain1: 0, <---> nucl2: 25, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 25
nucl1: 10, chain1: 0, <---> nucl2: 28, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 28
nucl1: 9, chain1: 0, <---> nucl2: 29, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 29
nucl1: 8, chain1: 0, <---> nucl2: 30, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 30
nucl1: 7, chain1: 0, <---> nucl2: 31, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 31
nucl1: 6, chain1: 0, <---> nucl2: 32, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 32
nucl1: 48, chain1: 0, <---> nucl2: 54, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 48, chainIndex_2: 0, nuclIndex_2: 54
nucl1: 47, chain1: 0, <---> nucl2: 55, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 47, chainIndex_2: 0, nuclIndex_2: 55
nucl1: 46, chain1: 0, <---> nucl2: 56, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 46, chainIndex_2: 0, nuclIndex_2: 56
nucl1: 45, chain1: 0, <---> nucl2: 57, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 45, chainIndex_2: 0, nuclIndex_2: 57
nucl1: 44, chain1: 0, <---> nucl2: 58, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 44, chainIndex_2: 0, nuclIndex_2: 58
nucl1: 63, chain1: 0, <---> nucl2: 71, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 63, chainIndex_2: 0, nuclIndex_2: 71
nucl1: 62, chain1: 0, <---> nucl2: 72, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 62, chainIndex_2: 0, nuclIndex_2: 72
nucl1: 61, chain1: 0, <---> nucl2: 73, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 61, chainIndex_2: 0, nuclIndex_2: 73
nucl1: 60, chain1: 0, <---> nucl2: 74, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 60, chainIndex_2: 0, nuclIndex_2: 74
nucl1: 102, chain1: 0, <---> nucl2: 108, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 102, chainIndex_2: 0, nuclIndex_2: 108
nucl1: 101, chain1: 0, <---> nucl2: 109, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 101, chainIndex_2: 0, nuclIndex_2: 109
nucl1: 100, chain1: 0, <---> nucl2: 110, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 100, chainIndex_2: 0, nuclIndex_2: 110
nucl1: 98, chain1: 0, <---> nucl2: 112, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 98, chainIndex_2: 0, nuclIndex_2: 112
nucl1: 97, chain1: 0, <---> nucl2: 113, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 97, chainIndex_2: 0, nuclIndex_2: 113
nucl1: 96, chain1: 0, <---> nucl2: 114, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 96, chainIndex_2: 0, nuclIndex_2: 114
nucl1: 95, chain1: 0, <---> nucl2: 115, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 95, chainIndex_2: 0, nuclIndex_2: 115
nucl1: 93, chain1: 0, <---> nucl2: 116, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 93, chainIndex_2: 0, nuclIndex_2: 116
nucl1: 92, chain1: 0, <---> nucl2: 117, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 92, chainIndex_2: 0, nuclIndex_2: 117
nucl1: 90, chain1: 0, <---> nucl2: 119, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 90, chainIndex_2: 0, nuclIndex_2: 119
nucl1: 89, chain1: 0, <---> nucl2: 120, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 89, chainIndex_2: 0, nuclIndex_2: 120
nucl1: 88, chain1: 0, <---> nucl2: 121, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 88, chainIndex_2: 0, nuclIndex_2: 121
nucl1: 87, chain1: 0, <---> nucl2: 122, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 87, chainIndex_2: 0, nuclIndex_2: 122
nucl1: 86, chain1: 0, <---> nucl2: 123, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 86, chainIndex_2: 0, nuclIndex_2: 123
nucl1: 85, chain1: 0, <---> nucl2: 124, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 85, chainIndex_2: 0, nuclIndex_2: 124
nucl1: 84, chain1: 0, <---> nucl2: 125, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 84, chainIndex_2: 0, nuclIndex_2: 125
nucl1: 83, chain1: 0, <---> nucl2: 126, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 83, chainIndex_2: 0, nuclIndex_2: 126
nucl1: 198, chain1: 0, <---> nucl2: 205, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 198, chainIndex_2: 0, nuclIndex_2: 205
nucl1: 197, chain1: 0, <---> nucl2: 206, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 197, chainIndex_2: 0, nuclIndex_2: 206
nucl1: 196, chain1: 0, <---> nucl2: 207, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 196, chainIndex_2: 0, nuclIndex_2: 207
nucl1: 195, chain1: 0, <---> nucl2: 208, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 195, chainIndex_2: 0, nuclIndex_2: 208
nucl1: 194, chain1: 0, <---> nucl2: 209, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 194, chainIndex_2: 0, nuclIndex_2: 209
nucl1: 192, chain1: 0, <---> nucl2: 212, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 192, chainIndex_2: 0, nuclIndex_2: 212
nucl1: 191, chain1: 0, <---> nucl2: 213, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 191, chainIndex_2: 0, nuclIndex_2: 213
nucl1: 190, chain1: 0, <---> nucl2: 214, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 190, chainIndex_2: 0, nuclIndex_2: 214
nucl1: 189, chain1: 0, <---> nucl2: 215, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 189, chainIndex_2: 0, nuclIndex_2: 215
nucl1: 188, chain1: 0, <---> nucl2: 216, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 188, chainIndex_2: 0, nuclIndex_2: 216
nucl1: 187, chain1: 0, <---> nucl2: 217, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 187, chainIndex_2: 0, nuclIndex_2: 217
nucl1: 184, chain1: 0, <---> nucl2: 224, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 184, chainIndex_2: 0, nuclIndex_2: 224
nucl1: 183, chain1: 0, <---> nucl2: 225, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 183, chainIndex_2: 0, nuclIndex_2: 225
nucl1: 182, chain1: 0, <---> nucl2: 226, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 182, chainIndex_2: 0, nuclIndex_2: 226
nucl1: 236, chain1: 0, <---> nucl2: 243, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 236, chainIndex_2: 0, nuclIndex_2: 243
nucl1: 235, chain1: 0, <---> nucl2: 244, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 235, chainIndex_2: 0, nuclIndex_2: 244
nucl1: 233, chain1: 0, <---> nucl2: 245, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 233, chainIndex_2: 0, nuclIndex_2: 245
nucl1: 232, chain1: 0, <---> nucl2: 246, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 232, chainIndex_2: 0, nuclIndex_2: 246
nucl1: 231, chain1: 0, <---> nucl2: 247, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 231, chainIndex_2: 0, nuclIndex_2: 247
nucl1: 230, chain1: 0, <---> nucl2: 248, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 230, chainIndex_2: 0, nuclIndex_2: 248
nucl1: 229, chain1: 0, <---> nucl2: 249, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 229, chainIndex_2: 0, nuclIndex_2: 249
nucl1: 228, chain1: 0, <---> nucl2: 250, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 228, chainIndex_2: 0, nuclIndex_2: 250
nucl1: 227, chain1: 0, <---> nucl2: 251, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 227, chainIndex_2: 0, nuclIndex_2: 251
nucl1: 254, chain1: 0, <---> nucl2: 259, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 254, chainIndex_2: 0, nuclIndex_2: 259
nucl1: 253, chain1: 0, <---> nucl2: 260, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 253, chainIndex_2: 0, nuclIndex_2: 260
nucl1: 252, chain1: 0, <---> nucl2: 261, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 252, chainIndex_2: 0, nuclIndex_2: 261
nucl1: 181, chain1: 0, <---> nucl2: 262, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 181, chainIndex_2: 0, nuclIndex_2: 262
nucl1: 180, chain1: 0, <---> nucl2: 263, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 180, chainIndex_2: 0, nuclIndex_2: 263
nucl1: 179, chain1: 0, <---> nucl2: 264, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 179, chainIndex_2: 0, nuclIndex_2: 264
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 265.000000 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/1-c06ca4fa/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1-c06ca4fa/inputs/seq.fa: 1
curr_seq: _AUUAAAGGUUUAUACCUUCCCAGGUAACAAACCAACCAACUUUCGAUCUCUUGUAGAUCUGUUCUCUAAACGAACUUUAAAAUCUGUGUGGCUGUCACUCGGCUGCAUGCUUAGUGCACUCACGCAGUAUAAUUAAUAACUAAUUACUGUCGUUGACAGGACACGAGUAACUCGUCUAUCUUCUGCAGGCUGCUUACGGUUUCGUCCGUGUUGCAGCCGAUCAUCAGCACAUCUAGGUUUCGUCCGGGUGUGACCGAAAGGUAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUUAAAGGUUUAUACCUUCCCAGGUAACAAACCAACCAACUUUCGAUCUCUUGUAGAUCUGUUCUCUAAACGAACUUUAAAAUCUGUGUGGCUGUCACUCGGCUGCAUGCUUAGUGCACUCACGCAGUAUAAUUAAUAACUAAUUACUGUCGUUGACAGGACACGAGUAACUCGUCUAUCUUCUGCAGGCUGCUUACGGUUUCGUCCGUGUUGCAGCCGAUCAUCAGCACAUCUAGGUUUCGUCCGGGUGUGACCGAAAGGUAAG
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 265 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: 1330
n_atoms_counter: 1330
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _......(((((.(((((....)))))..)))))...........(((((.....))))).((((.......))))........((((((((.((.((((.(((.....))).)))))).))))))))....................................................((((((..((((((.(((((......)))))..))))))......)))(((((((.((......)))))))))(((....))))))_
nucl1: 16, chain1: 0, <---> nucl2: 21, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 21
nucl1: 15, chain1: 0, <---> nucl2: 22, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 22
nucl1: 14, chain1: 0, <---> nucl2: 23, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 23
nucl1: 13, chain1: 0, <---> nucl2: 24, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 24
nucl1: 12, chain1: 0, <---> nucl2: 25, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 25
nucl1: 10, chain1: 0, <---> nucl2: 28, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 28
nucl1: 9, chain1: 0, <---> nucl2: 29, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 29
nucl1: 8, chain1: 0, <---> nucl2: 30, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 30
nucl1: 7, chain1: 0, <---> nucl2: 31, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 31
nucl1: 6, chain1: 0, <---> nucl2: 32, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 32
nucl1: 48, chain1: 0, <---> nucl2: 54, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 48, chainIndex_2: 0, nuclIndex_2: 54
nucl1: 47, chain1: 0, <---> nucl2: 55, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 47, chainIndex_2: 0, nuclIndex_2: 55
nucl1: 46, chain1: 0, <---> nucl2: 56, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 46, chainIndex_2: 0, nuclIndex_2: 56
nucl1: 45, chain1: 0, <---> nucl2: 57, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 45, chainIndex_2: 0, nuclIndex_2: 57
nucl1: 44, chain1: 0, <---> nucl2: 58, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 44, chainIndex_2: 0, nuclIndex_2: 58
nucl1: 63, chain1: 0, <---> nucl2: 71, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 63, chainIndex_2: 0, nuclIndex_2: 71
nucl1: 62, chain1: 0, <---> nucl2: 72, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 62, chainIndex_2: 0, nuclIndex_2: 72
nucl1: 61, chain1: 0, <---> nucl2: 73, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 61, chainIndex_2: 0, nuclIndex_2: 73
nucl1: 60, chain1: 0, <---> nucl2: 74, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 60, chainIndex_2: 0, nuclIndex_2: 74
nucl1: 102, chain1: 0, <---> nucl2: 108, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 102, chainIndex_2: 0, nuclIndex_2: 108
nucl1: 101, chain1: 0, <---> nucl2: 109, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 101, chainIndex_2: 0, nuclIndex_2: 109
nucl1: 100, chain1: 0, <---> nucl2: 110, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 100, chainIndex_2: 0, nuclIndex_2: 110
nucl1: 98, chain1: 0, <---> nucl2: 112, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 98, chainIndex_2: 0, nuclIndex_2: 112
nucl1: 97, chain1: 0, <---> nucl2: 113, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 97, chainIndex_2: 0, nuclIndex_2: 113
nucl1: 96, chain1: 0, <---> nucl2: 114, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 96, chainIndex_2: 0, nuclIndex_2: 114
nucl1: 95, chain1: 0, <---> nucl2: 115, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 95, chainIndex_2: 0, nuclIndex_2: 115
nucl1: 93, chain1: 0, <---> nucl2: 116, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 93, chainIndex_2: 0, nuclIndex_2: 116
nucl1: 92, chain1: 0, <---> nucl2: 117, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 92, chainIndex_2: 0, nuclIndex_2: 117
nucl1: 90, chain1: 0, <---> nucl2: 119, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 90, chainIndex_2: 0, nuclIndex_2: 119
nucl1: 89, chain1: 0, <---> nucl2: 120, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 89, chainIndex_2: 0, nuclIndex_2: 120
nucl1: 88, chain1: 0, <---> nucl2: 121, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 88, chainIndex_2: 0, nuclIndex_2: 121
nucl1: 87, chain1: 0, <---> nucl2: 122, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 87, chainIndex_2: 0, nuclIndex_2: 122
nucl1: 86, chain1: 0, <---> nucl2: 123, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 86, chainIndex_2: 0, nuclIndex_2: 123
nucl1: 85, chain1: 0, <---> nucl2: 124, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 85, chainIndex_2: 0, nuclIndex_2: 124
nucl1: 84, chain1: 0, <---> nucl2: 125, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 84, chainIndex_2: 0, nuclIndex_2: 125
nucl1: 83, chain1: 0, <---> nucl2: 126, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 83, chainIndex_2: 0, nuclIndex_2: 126
nucl1: 198, chain1: 0, <---> nucl2: 205, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 198, chainIndex_2: 0, nuclIndex_2: 205
nucl1: 197, chain1: 0, <---> nucl2: 206, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 197, chainIndex_2: 0, nuclIndex_2: 206
nucl1: 196, chain1: 0, <---> nucl2: 207, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 196, chainIndex_2: 0, nuclIndex_2: 207
nucl1: 195, chain1: 0, <---> nucl2: 208, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 195, chainIndex_2: 0, nuclIndex_2: 208
nucl1: 194, chain1: 0, <---> nucl2: 209, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 194, chainIndex_2: 0, nuclIndex_2: 209
nucl1: 192, chain1: 0, <---> nucl2: 212, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 192, chainIndex_2: 0, nuclIndex_2: 212
nucl1: 191, chain1: 0, <---> nucl2: 213, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 191, chainIndex_2: 0, nuclIndex_2: 213
nucl1: 190, chain1: 0, <---> nucl2: 214, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 190, chainIndex_2: 0, nuclIndex_2: 214
nucl1: 189, chain1: 0, <---> nucl2: 215, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 189, chainIndex_2: 0, nuclIndex_2: 215
nucl1: 188, chain1: 0, <---> nucl2: 216, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 188, chainIndex_2: 0, nuclIndex_2: 216
nucl1: 187, chain1: 0, <---> nucl2: 217, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 187, chainIndex_2: 0, nuclIndex_2: 217
nucl1: 184, chain1: 0, <---> nucl2: 224, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 184, chainIndex_2: 0, nuclIndex_2: 224
nucl1: 183, chain1: 0, <---> nucl2: 225, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 183, chainIndex_2: 0, nuclIndex_2: 225
nucl1: 182, chain1: 0, <---> nucl2: 226, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 182, chainIndex_2: 0, nuclIndex_2: 226
nucl1: 236, chain1: 0, <---> nucl2: 243, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 236, chainIndex_2: 0, nuclIndex_2: 243
nucl1: 235, chain1: 0, <---> nucl2: 244, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 235, chainIndex_2: 0, nuclIndex_2: 244
nucl1: 233, chain1: 0, <---> nucl2: 245, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 233, chainIndex_2: 0, nuclIndex_2: 245
nucl1: 232, chain1: 0, <---> nucl2: 246, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 232, chainIndex_2: 0, nuclIndex_2: 246
nucl1: 231, chain1: 0, <---> nucl2: 247, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 231, chainIndex_2: 0, nuclIndex_2: 247
nucl1: 230, chain1: 0, <---> nucl2: 248, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 230, chainIndex_2: 0, nuclIndex_2: 248
nucl1: 229, chain1: 0, <---> nucl2: 249, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 229, chainIndex_2: 0, nuclIndex_2: 249
nucl1: 228, chain1: 0, <---> nucl2: 250, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 228, chainIndex_2: 0, nuclIndex_2: 250
nucl1: 227, chain1: 0, <---> nucl2: 251, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 227, chainIndex_2: 0, nuclIndex_2: 251
nucl1: 254, chain1: 0, <---> nucl2: 259, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 254, chainIndex_2: 0, nuclIndex_2: 259
nucl1: 253, chain1: 0, <---> nucl2: 260, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 253, chainIndex_2: 0, nuclIndex_2: 260
nucl1: 252, chain1: 0, <---> nucl2: 261, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 252, chainIndex_2: 0, nuclIndex_2: 261
nucl1: 181, chain1: 0, <---> nucl2: 262, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 181, chainIndex_2: 0, nuclIndex_2: 262
nucl1: 180, chain1: 0, <---> nucl2: 263, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 180, chainIndex_2: 0, nuclIndex_2: 263
nucl1: 179, chain1: 0, <---> nucl2: 264, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 179, chainIndex_2: 0, nuclIndex_2: 264
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 265.000000 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/1-c06ca4fa/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1-c06ca4fa/inputs/seq.fa: 1
curr_seq: _AUUAAAGGUUUAUACCUUCCCAGGUAACAAACCAACCAACUUUCGAUCUCUUGUAGAUCUGUUCUCUAAACGAACUUUAAAAUCUGUGUGGCUGUCACUCGGCUGCAUGCUUAGUGCACUCACGCAGUAUAAUUAAUAACUAAUUACUGUCGUUGACAGGACACGAGUAACUCGUCUAUCUUCUGCAGGCUGCUUACGGUUUCGUCCGUGUUGCAGCCGAUCAUCAGCACAUCUAGGUUUCGUCCGGGUGUGACCGAAAGGUAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUUAAAGGUUUAUACCUUCCCAGGUAACAAACCAACCAACUUUCGAUCUCUUGUAGAUCUGUUCUCUAAACGAACUUUAAAAUCUGUGUGGCUGUCACUCGGCUGCAUGCUUAGUGCACUCACGCAGUAUAAUUAAUAACUAAUUACUGUCGUUGACAGGACACGAGUAACUCGUCUAUCUUCUGCAGGCUGCUUACGGUUUCGUCCGUGUUGCAGCCGAUCAUCAGCACAUCUAGGUUUCGUCCGGGUGUGACCGAAAGGUAAG
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 265 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: 1330
n_atoms_counter: 1330
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _......(((((.(((((....)))))..)))))...........(((((.....))))).((((.......))))........((((((((.((.((((.(((.....))).)))))).))))))))....................................................((((((..((((((.(((((......)))))..))))))......)))(((((((.((......)))))))))(((....))))))_
nucl1: 16, chain1: 0, <---> nucl2: 21, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 21
nucl1: 15, chain1: 0, <---> nucl2: 22, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 22
nucl1: 14, chain1: 0, <---> nucl2: 23, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 23
nucl1: 13, chain1: 0, <---> nucl2: 24, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 24
nucl1: 12, chain1: 0, <---> nucl2: 25, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 25
nucl1: 10, chain1: 0, <---> nucl2: 28, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 28
nucl1: 9, chain1: 0, <---> nucl2: 29, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 29
nucl1: 8, chain1: 0, <---> nucl2: 30, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 30
nucl1: 7, chain1: 0, <---> nucl2: 31, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 31
nucl1: 6, chain1: 0, <---> nucl2: 32, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 32
nucl1: 48, chain1: 0, <---> nucl2: 54, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 48, chainIndex_2: 0, nuclIndex_2: 54
nucl1: 47, chain1: 0, <---> nucl2: 55, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 47, chainIndex_2: 0, nuclIndex_2: 55
nucl1: 46, chain1: 0, <---> nucl2: 56, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 46, chainIndex_2: 0, nuclIndex_2: 56
nucl1: 45, chain1: 0, <---> nucl2: 57, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 45, chainIndex_2: 0, nuclIndex_2: 57
nucl1: 44, chain1: 0, <---> nucl2: 58, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 44, chainIndex_2: 0, nuclIndex_2: 58
nucl1: 63, chain1: 0, <---> nucl2: 71, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 63, chainIndex_2: 0, nuclIndex_2: 71
nucl1: 62, chain1: 0, <---> nucl2: 72, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 62, chainIndex_2: 0, nuclIndex_2: 72
nucl1: 61, chain1: 0, <---> nucl2: 73, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 61, chainIndex_2: 0, nuclIndex_2: 73
nucl1: 60, chain1: 0, <---> nucl2: 74, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 60, chainIndex_2: 0, nuclIndex_2: 74
nucl1: 102, chain1: 0, <---> nucl2: 108, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 102, chainIndex_2: 0, nuclIndex_2: 108
nucl1: 101, chain1: 0, <---> nucl2: 109, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 101, chainIndex_2: 0, nuclIndex_2: 109
nucl1: 100, chain1: 0, <---> nucl2: 110, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 100, chainIndex_2: 0, nuclIndex_2: 110
nucl1: 98, chain1: 0, <---> nucl2: 112, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 98, chainIndex_2: 0, nuclIndex_2: 112
nucl1: 97, chain1: 0, <---> nucl2: 113, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 97, chainIndex_2: 0, nuclIndex_2: 113
nucl1: 96, chain1: 0, <---> nucl2: 114, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 96, chainIndex_2: 0, nuclIndex_2: 114
nucl1: 95, chain1: 0, <---> nucl2: 115, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 95, chainIndex_2: 0, nuclIndex_2: 115
nucl1: 93, chain1: 0, <---> nucl2: 116, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 93, chainIndex_2: 0, nuclIndex_2: 116
nucl1: 92, chain1: 0, <---> nucl2: 117, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 92, chainIndex_2: 0, nuclIndex_2: 117
nucl1: 90, chain1: 0, <---> nucl2: 119, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 90, chainIndex_2: 0, nuclIndex_2: 119
nucl1: 89, chain1: 0, <---> nucl2: 120, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 89, chainIndex_2: 0, nuclIndex_2: 120
nucl1: 88, chain1: 0, <---> nucl2: 121, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 88, chainIndex_2: 0, nuclIndex_2: 121
nucl1: 87, chain1: 0, <---> nucl2: 122, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 87, chainIndex_2: 0, nuclIndex_2: 122
nucl1: 86, chain1: 0, <---> nucl2: 123, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 86, chainIndex_2: 0, nuclIndex_2: 123
nucl1: 85, chain1: 0, <---> nucl2: 124, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 85, chainIndex_2: 0, nuclIndex_2: 124
nucl1: 84, chain1: 0, <---> nucl2: 125, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 84, chainIndex_2: 0, nuclIndex_2: 125
nucl1: 83, chain1: 0, <---> nucl2: 126, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 83, chainIndex_2: 0, nuclIndex_2: 126
nucl1: 198, chain1: 0, <---> nucl2: 205, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 198, chainIndex_2: 0, nuclIndex_2: 205
nucl1: 197, chain1: 0, <---> nucl2: 206, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 197, chainIndex_2: 0, nuclIndex_2: 206
nucl1: 196, chain1: 0, <---> nucl2: 207, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 196, chainIndex_2: 0, nuclIndex_2: 207
nucl1: 195, chain1: 0, <---> nucl2: 208, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 195, chainIndex_2: 0, nuclIndex_2: 208
nucl1: 194, chain1: 0, <---> nucl2: 209, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 194, chainIndex_2: 0, nuclIndex_2: 209
nucl1: 192, chain1: 0, <---> nucl2: 212, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 192, chainIndex_2: 0, nuclIndex_2: 212
nucl1: 191, chain1: 0, <---> nucl2: 213, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 191, chainIndex_2: 0, nuclIndex_2: 213
nucl1: 190, chain1: 0, <---> nucl2: 214, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 190, chainIndex_2: 0, nuclIndex_2: 214
nucl1: 189, chain1: 0, <---> nucl2: 215, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 189, chainIndex_2: 0, nuclIndex_2: 215
nucl1: 188, chain1: 0, <---> nucl2: 216, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 188, chainIndex_2: 0, nuclIndex_2: 216
nucl1: 187, chain1: 0, <---> nucl2: 217, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 187, chainIndex_2: 0, nuclIndex_2: 217
nucl1: 184, chain1: 0, <---> nucl2: 224, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 184, chainIndex_2: 0, nuclIndex_2: 224
nucl1: 183, chain1: 0, <---> nucl2: 225, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 183, chainIndex_2: 0, nuclIndex_2: 225
nucl1: 182, chain1: 0, <---> nucl2: 226, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 182, chainIndex_2: 0, nuclIndex_2: 226
nucl1: 236, chain1: 0, <---> nucl2: 243, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 236, chainIndex_2: 0, nuclIndex_2: 243
nucl1: 235, chain1: 0, <---> nucl2: 244, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 235, chainIndex_2: 0, nuclIndex_2: 244
nucl1: 233, chain1: 0, <---> nucl2: 245, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 233, chainIndex_2: 0, nuclIndex_2: 245
nucl1: 232, chain1: 0, <---> nucl2: 246, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 232, chainIndex_2: 0, nuclIndex_2: 246
nucl1: 231, chain1: 0, <---> nucl2: 247, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 231, chainIndex_2: 0, nuclIndex_2: 247
nucl1: 230, chain1: 0, <---> nucl2: 248, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 230, chainIndex_2: 0, nuclIndex_2: 248
nucl1: 229, chain1: 0, <---> nucl2: 249, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 229, chainIndex_2: 0, nuclIndex_2: 249
nucl1: 228, chain1: 0, <---> nucl2: 250, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 228, chainIndex_2: 0, nuclIndex_2: 250
nucl1: 227, chain1: 0, <---> nucl2: 251, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 227, chainIndex_2: 0, nuclIndex_2: 251
nucl1: 254, chain1: 0, <---> nucl2: 259, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 254, chainIndex_2: 0, nuclIndex_2: 259
nucl1: 253, chain1: 0, <---> nucl2: 260, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 253, chainIndex_2: 0, nuclIndex_2: 260
nucl1: 252, chain1: 0, <---> nucl2: 261, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 252, chainIndex_2: 0, nuclIndex_2: 261
nucl1: 181, chain1: 0, <---> nucl2: 262, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 181, chainIndex_2: 0, nuclIndex_2: 262
nucl1: 180, chain1: 0, <---> nucl2: 263, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 180, chainIndex_2: 0, nuclIndex_2: 263
nucl1: 179, chain1: 0, <---> nucl2: 264, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 179, chainIndex_2: 0, nuclIndex_2: 264
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 265.000000 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/1-c06ca4fa/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1-c06ca4fa/inputs/seq.fa: 1
curr_seq: _AUUAAAGGUUUAUACCUUCCCAGGUAACAAACCAACCAACUUUCGAUCUCUUGUAGAUCUGUUCUCUAAACGAACUUUAAAAUCUGUGUGGCUGUCACUCGGCUGCAUGCUUAGUGCACUCACGCAGUAUAAUUAAUAACUAAUUACUGUCGUUGACAGGACACGAGUAACUCGUCUAUCUUCUGCAGGCUGCUUACGGUUUCGUCCGUGUUGCAGCCGAUCAUCAGCACAUCUAGGUUUCGUCCGGGUGUGACCGAAAGGUAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUUAAAGGUUUAUACCUUCCCAGGUAACAAACCAACCAACUUUCGAUCUCUUGUAGAUCUGUUCUCUAAACGAACUUUAAAAUCUGUGUGGCUGUCACUCGGCUGCAUGCUUAGUGCACUCACGCAGUAUAAUUAAUAACUAAUUACUGUCGUUGACAGGACACGAGUAACUCGUCUAUCUUCUGCAGGCUGCUUACGGUUUCGUCCGUGUUGCAGCCGAUCAUCAGCACAUCUAGGUUUCGUCCGGGUGUGACCGAAAGGUAAG
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 265 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: 1330
n_atoms_counter: 1330
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _......(((((.(((((....)))))..)))))...........(((((.....))))).((((.......))))........((((((((.((.((((.(((.....))).)))))).))))))))....................................................((((((..((((((.(((((......)))))..))))))......)))(((((((.((......)))))))))(((....))))))_
nucl1: 16, chain1: 0, <---> nucl2: 21, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 21
nucl1: 15, chain1: 0, <---> nucl2: 22, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 22
nucl1: 14, chain1: 0, <---> nucl2: 23, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 23
nucl1: 13, chain1: 0, <---> nucl2: 24, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 24
nucl1: 12, chain1: 0, <---> nucl2: 25, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 25
nucl1: 10, chain1: 0, <---> nucl2: 28, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 28
nucl1: 9, chain1: 0, <---> nucl2: 29, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 29
nucl1: 8, chain1: 0, <---> nucl2: 30, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 30
nucl1: 7, chain1: 0, <---> nucl2: 31, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 31
nucl1: 6, chain1: 0, <---> nucl2: 32, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 32
nucl1: 48, chain1: 0, <---> nucl2: 54, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 48, chainIndex_2: 0, nuclIndex_2: 54
nucl1: 47, chain1: 0, <---> nucl2: 55, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 47, chainIndex_2: 0, nuclIndex_2: 55
nucl1: 46, chain1: 0, <---> nucl2: 56, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 46, chainIndex_2: 0, nuclIndex_2: 56
nucl1: 45, chain1: 0, <---> nucl2: 57, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 45, chainIndex_2: 0, nuclIndex_2: 57
nucl1: 44, chain1: 0, <---> nucl2: 58, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 44, chainIndex_2: 0, nuclIndex_2: 58
nucl1: 63, chain1: 0, <---> nucl2: 71, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 63, chainIndex_2: 0, nuclIndex_2: 71
nucl1: 62, chain1: 0, <---> nucl2: 72, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 62, chainIndex_2: 0, nuclIndex_2: 72
nucl1: 61, chain1: 0, <---> nucl2: 73, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 61, chainIndex_2: 0, nuclIndex_2: 73
nucl1: 60, chain1: 0, <---> nucl2: 74, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 60, chainIndex_2: 0, nuclIndex_2: 74
nucl1: 102, chain1: 0, <---> nucl2: 108, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 102, chainIndex_2: 0, nuclIndex_2: 108
nucl1: 101, chain1: 0, <---> nucl2: 109, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 101, chainIndex_2: 0, nuclIndex_2: 109
nucl1: 100, chain1: 0, <---> nucl2: 110, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 100, chainIndex_2: 0, nuclIndex_2: 110
nucl1: 98, chain1: 0, <---> nucl2: 112, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 98, chainIndex_2: 0, nuclIndex_2: 112
nucl1: 97, chain1: 0, <---> nucl2: 113, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 97, chainIndex_2: 0, nuclIndex_2: 113
nucl1: 96, chain1: 0, <---> nucl2: 114, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 96, chainIndex_2: 0, nuclIndex_2: 114
nucl1: 95, chain1: 0, <---> nucl2: 115, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 95, chainIndex_2: 0, nuclIndex_2: 115
nucl1: 93, chain1: 0, <---> nucl2: 116, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 93, chainIndex_2: 0, nuclIndex_2: 116
nucl1: 92, chain1: 0, <---> nucl2: 117, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 92, chainIndex_2: 0, nuclIndex_2: 117
nucl1: 90, chain1: 0, <---> nucl2: 119, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 90, chainIndex_2: 0, nuclIndex_2: 119
nucl1: 89, chain1: 0, <---> nucl2: 120, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 89, chainIndex_2: 0, nuclIndex_2: 120
nucl1: 88, chain1: 0, <---> nucl2: 121, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 88, chainIndex_2: 0, nuclIndex_2: 121
nucl1: 87, chain1: 0, <---> nucl2: 122, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 87, chainIndex_2: 0, nuclIndex_2: 122
nucl1: 86, chain1: 0, <---> nucl2: 123, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 86, chainIndex_2: 0, nuclIndex_2: 123
nucl1: 85, chain1: 0, <---> nucl2: 124, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 85, chainIndex_2: 0, nuclIndex_2: 124
nucl1: 84, chain1: 0, <---> nucl2: 125, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 84, chainIndex_2: 0, nuclIndex_2: 125
nucl1: 83, chain1: 0, <---> nucl2: 126, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 83, chainIndex_2: 0, nuclIndex_2: 126
nucl1: 198, chain1: 0, <---> nucl2: 205, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 198, chainIndex_2: 0, nuclIndex_2: 205
nucl1: 197, chain1: 0, <---> nucl2: 206, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 197, chainIndex_2: 0, nuclIndex_2: 206
nucl1: 196, chain1: 0, <---> nucl2: 207, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 196, chainIndex_2: 0, nuclIndex_2: 207
nucl1: 195, chain1: 0, <---> nucl2: 208, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 195, chainIndex_2: 0, nuclIndex_2: 208
nucl1: 194, chain1: 0, <---> nucl2: 209, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 194, chainIndex_2: 0, nuclIndex_2: 209
nucl1: 192, chain1: 0, <---> nucl2: 212, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 192, chainIndex_2: 0, nuclIndex_2: 212
nucl1: 191, chain1: 0, <---> nucl2: 213, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 191, chainIndex_2: 0, nuclIndex_2: 213
nucl1: 190, chain1: 0, <---> nucl2: 214, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 190, chainIndex_2: 0, nuclIndex_2: 214
nucl1: 189, chain1: 0, <---> nucl2: 215, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 189, chainIndex_2: 0, nuclIndex_2: 215
nucl1: 188, chain1: 0, <---> nucl2: 216, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 188, chainIndex_2: 0, nuclIndex_2: 216
nucl1: 187, chain1: 0, <---> nucl2: 217, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 187, chainIndex_2: 0, nuclIndex_2: 217
nucl1: 184, chain1: 0, <---> nucl2: 224, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 184, chainIndex_2: 0, nuclIndex_2: 224
nucl1: 183, chain1: 0, <---> nucl2: 225, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 183, chainIndex_2: 0, nuclIndex_2: 225
nucl1: 182, chain1: 0, <---> nucl2: 226, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 182, chainIndex_2: 0, nuclIndex_2: 226
nucl1: 236, chain1: 0, <---> nucl2: 243, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 236, chainIndex_2: 0, nuclIndex_2: 243
nucl1: 235, chain1: 0, <---> nucl2: 244, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 235, chainIndex_2: 0, nuclIndex_2: 244
nucl1: 233, chain1: 0, <---> nucl2: 245, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 233, chainIndex_2: 0, nuclIndex_2: 245
nucl1: 232, chain1: 0, <---> nucl2: 246, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 232, chainIndex_2: 0, nuclIndex_2: 246
nucl1: 231, chain1: 0, <---> nucl2: 247, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 231, chainIndex_2: 0, nuclIndex_2: 247
nucl1: 230, chain1: 0, <---> nucl2: 248, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 230, chainIndex_2: 0, nuclIndex_2: 248
nucl1: 229, chain1: 0, <---> nucl2: 249, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 229, chainIndex_2: 0, nuclIndex_2: 249
nucl1: 228, chain1: 0, <---> nucl2: 250, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 228, chainIndex_2: 0, nuclIndex_2: 250
nucl1: 227, chain1: 0, <---> nucl2: 251, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 227, chainIndex_2: 0, nuclIndex_2: 251
nucl1: 254, chain1: 0, <---> nucl2: 259, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 254, chainIndex_2: 0, nuclIndex_2: 259
nucl1: 253, chain1: 0, <---> nucl2: 260, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 253, chainIndex_2: 0, nuclIndex_2: 260
nucl1: 252, chain1: 0, <---> nucl2: 261, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 252, chainIndex_2: 0, nuclIndex_2: 261
nucl1: 181, chain1: 0, <---> nucl2: 262, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 181, chainIndex_2: 0, nuclIndex_2: 262
nucl1: 180, chain1: 0, <---> nucl2: 263, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 180, chainIndex_2: 0, nuclIndex_2: 263
nucl1: 179, chain1: 0, <---> nucl2: 264, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 179, chainIndex_2: 0, nuclIndex_2: 264
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 265.000000 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/1-c06ca4fa/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1-c06ca4fa/inputs/seq.fa: 1
curr_seq: _AUUAAAGGUUUAUACCUUCCCAGGUAACAAACCAACCAACUUUCGAUCUCUUGUAGAUCUGUUCUCUAAACGAACUUUAAAAUCUGUGUGGCUGUCACUCGGCUGCAUGCUUAGUGCACUCACGCAGUAUAAUUAAUAACUAAUUACUGUCGUUGACAGGACACGAGUAACUCGUCUAUCUUCUGCAGGCUGCUUACGGUUUCGUCCGUGUUGCAGCCGAUCAUCAGCACAUCUAGGUUUCGUCCGGGUGUGACCGAAAGGUAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUUAAAGGUUUAUACCUUCCCAGGUAACAAACCAACCAACUUUCGAUCUCUUGUAGAUCUGUUCUCUAAACGAACUUUAAAAUCUGUGUGGCUGUCACUCGGCUGCAUGCUUAGUGCACUCACGCAGUAUAAUUAAUAACUAAUUACUGUCGUUGACAGGACACGAGUAACUCGUCUAUCUUCUGCAGGCUGCUUACGGUUUCGUCCGUGUUGCAGCCGAUCAUCAGCACAUCUAGGUUUCGUCCGGGUGUGACCGAAAGGUAAG
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 265 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: 1330
n_atoms_counter: 1330
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _......(((((.(((((....)))))..)))))...........(((((.....))))).((((.......))))........((((((((.((.((((.(((.....))).)))))).))))))))....................................................((((((..((((((.(((((......)))))..))))))......)))(((((((.((......)))))))))(((....))))))_
nucl1: 16, chain1: 0, <---> nucl2: 21, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 21
nucl1: 15, chain1: 0, <---> nucl2: 22, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 22
nucl1: 14, chain1: 0, <---> nucl2: 23, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 23
nucl1: 13, chain1: 0, <---> nucl2: 24, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 24
nucl1: 12, chain1: 0, <---> nucl2: 25, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 25
nucl1: 10, chain1: 0, <---> nucl2: 28, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 28
nucl1: 9, chain1: 0, <---> nucl2: 29, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 29
nucl1: 8, chain1: 0, <---> nucl2: 30, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 30
nucl1: 7, chain1: 0, <---> nucl2: 31, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 31
nucl1: 6, chain1: 0, <---> nucl2: 32, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 32
nucl1: 48, chain1: 0, <---> nucl2: 54, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 48, chainIndex_2: 0, nuclIndex_2: 54
nucl1: 47, chain1: 0, <---> nucl2: 55, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 47, chainIndex_2: 0, nuclIndex_2: 55
nucl1: 46, chain1: 0, <---> nucl2: 56, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 46, chainIndex_2: 0, nuclIndex_2: 56
nucl1: 45, chain1: 0, <---> nucl2: 57, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 45, chainIndex_2: 0, nuclIndex_2: 57
nucl1: 44, chain1: 0, <---> nucl2: 58, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 44, chainIndex_2: 0, nuclIndex_2: 58
nucl1: 63, chain1: 0, <---> nucl2: 71, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 63, chainIndex_2: 0, nuclIndex_2: 71
nucl1: 62, chain1: 0, <---> nucl2: 72, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 62, chainIndex_2: 0, nuclIndex_2: 72
nucl1: 61, chain1: 0, <---> nucl2: 73, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 61, chainIndex_2: 0, nuclIndex_2: 73
nucl1: 60, chain1: 0, <---> nucl2: 74, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 60, chainIndex_2: 0, nuclIndex_2: 74
nucl1: 102, chain1: 0, <---> nucl2: 108, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 102, chainIndex_2: 0, nuclIndex_2: 108
nucl1: 101, chain1: 0, <---> nucl2: 109, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 101, chainIndex_2: 0, nuclIndex_2: 109
nucl1: 100, chain1: 0, <---> nucl2: 110, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 100, chainIndex_2: 0, nuclIndex_2: 110
nucl1: 98, chain1: 0, <---> nucl2: 112, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 98, chainIndex_2: 0, nuclIndex_2: 112
nucl1: 97, chain1: 0, <---> nucl2: 113, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 97, chainIndex_2: 0, nuclIndex_2: 113
nucl1: 96, chain1: 0, <---> nucl2: 114, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 96, chainIndex_2: 0, nuclIndex_2: 114
nucl1: 95, chain1: 0, <---> nucl2: 115, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 95, chainIndex_2: 0, nuclIndex_2: 115
nucl1: 93, chain1: 0, <---> nucl2: 116, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 93, chainIndex_2: 0, nuclIndex_2: 116
nucl1: 92, chain1: 0, <---> nucl2: 117, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 92, chainIndex_2: 0, nuclIndex_2: 117
nucl1: 90, chain1: 0, <---> nucl2: 119, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 90, chainIndex_2: 0, nuclIndex_2: 119
nucl1: 89, chain1: 0, <---> nucl2: 120, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 89, chainIndex_2: 0, nuclIndex_2: 120
nucl1: 88, chain1: 0, <---> nucl2: 121, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 88, chainIndex_2: 0, nuclIndex_2: 121
nucl1: 87, chain1: 0, <---> nucl2: 122, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 87, chainIndex_2: 0, nuclIndex_2: 122
nucl1: 86, chain1: 0, <---> nucl2: 123, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 86, chainIndex_2: 0, nuclIndex_2: 123
nucl1: 85, chain1: 0, <---> nucl2: 124, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 85, chainIndex_2: 0, nuclIndex_2: 124
nucl1: 84, chain1: 0, <---> nucl2: 125, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 84, chainIndex_2: 0, nuclIndex_2: 125
nucl1: 83, chain1: 0, <---> nucl2: 126, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 83, chainIndex_2: 0, nuclIndex_2: 126
nucl1: 198, chain1: 0, <---> nucl2: 205, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 198, chainIndex_2: 0, nuclIndex_2: 205
nucl1: 197, chain1: 0, <---> nucl2: 206, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 197, chainIndex_2: 0, nuclIndex_2: 206
nucl1: 196, chain1: 0, <---> nucl2: 207, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 196, chainIndex_2: 0, nuclIndex_2: 207
nucl1: 195, chain1: 0, <---> nucl2: 208, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 195, chainIndex_2: 0, nuclIndex_2: 208
nucl1: 194, chain1: 0, <---> nucl2: 209, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 194, chainIndex_2: 0, nuclIndex_2: 209
nucl1: 192, chain1: 0, <---> nucl2: 212, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 192, chainIndex_2: 0, nuclIndex_2: 212
nucl1: 191, chain1: 0, <---> nucl2: 213, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 191, chainIndex_2: 0, nuclIndex_2: 213
nucl1: 190, chain1: 0, <---> nucl2: 214, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 190, chainIndex_2: 0, nuclIndex_2: 214
nucl1: 189, chain1: 0, <---> nucl2: 215, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 189, chainIndex_2: 0, nuclIndex_2: 215
nucl1: 188, chain1: 0, <---> nucl2: 216, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 188, chainIndex_2: 0, nuclIndex_2: 216
nucl1: 187, chain1: 0, <---> nucl2: 217, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 187, chainIndex_2: 0, nuclIndex_2: 217
nucl1: 184, chain1: 0, <---> nucl2: 224, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 184, chainIndex_2: 0, nuclIndex_2: 224
nucl1: 183, chain1: 0, <---> nucl2: 225, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 183, chainIndex_2: 0, nuclIndex_2: 225
nucl1: 182, chain1: 0, <---> nucl2: 226, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 182, chainIndex_2: 0, nuclIndex_2: 226
nucl1: 236, chain1: 0, <---> nucl2: 243, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 236, chainIndex_2: 0, nuclIndex_2: 243
nucl1: 235, chain1: 0, <---> nucl2: 244, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 235, chainIndex_2: 0, nuclIndex_2: 244
nucl1: 233, chain1: 0, <---> nucl2: 245, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 233, chainIndex_2: 0, nuclIndex_2: 245
nucl1: 232, chain1: 0, <---> nucl2: 246, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 232, chainIndex_2: 0, nuclIndex_2: 246
nucl1: 231, chain1: 0, <---> nucl2: 247, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 231, chainIndex_2: 0, nuclIndex_2: 247
nucl1: 230, chain1: 0, <---> nucl2: 248, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 230, chainIndex_2: 0, nuclIndex_2: 248
nucl1: 229, chain1: 0, <---> nucl2: 249, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 229, chainIndex_2: 0, nuclIndex_2: 249
nucl1: 228, chain1: 0, <---> nucl2: 250, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 228, chainIndex_2: 0, nuclIndex_2: 250
nucl1: 227, chain1: 0, <---> nucl2: 251, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 227, chainIndex_2: 0, nuclIndex_2: 251
nucl1: 254, chain1: 0, <---> nucl2: 259, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 254, chainIndex_2: 0, nuclIndex_2: 259
nucl1: 253, chain1: 0, <---> nucl2: 260, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 253, chainIndex_2: 0, nuclIndex_2: 260
nucl1: 252, chain1: 0, <---> nucl2: 261, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 252, chainIndex_2: 0, nuclIndex_2: 261
nucl1: 181, chain1: 0, <---> nucl2: 262, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 181, chainIndex_2: 0, nuclIndex_2: 262
nucl1: 180, chain1: 0, <---> nucl2: 263, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 180, chainIndex_2: 0, nuclIndex_2: 263
nucl1: 179, chain1: 0, <---> nucl2: 264, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 179, chainIndex_2: 0, nuclIndex_2: 264
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 265.000000 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/1-c06ca4fa/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1-c06ca4fa/inputs/seq.fa: 1
curr_seq: _AUUAAAGGUUUAUACCUUCCCAGGUAACAAACCAACCAACUUUCGAUCUCUUGUAGAUCUGUUCUCUAAACGAACUUUAAAAUCUGUGUGGCUGUCACUCGGCUGCAUGCUUAGUGCACUCACGCAGUAUAAUUAAUAACUAAUUACUGUCGUUGACAGGACACGAGUAACUCGUCUAUCUUCUGCAGGCUGCUUACGGUUUCGUCCGUGUUGCAGCCGAUCAUCAGCACAUCUAGGUUUCGUCCGGGUGUGACCGAAAGGUAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUUAAAGGUUUAUACCUUCCCAGGUAACAAACCAACCAACUUUCGAUCUCUUGUAGAUCUGUUCUCUAAACGAACUUUAAAAUCUGUGUGGCUGUCACUCGGCUGCAUGCUUAGUGCACUCACGCAGUAUAAUUAAUAACUAAUUACUGUCGUUGACAGGACACGAGUAACUCGUCUAUCUUCUGCAGGCUGCUUACGGUUUCGUCCGUGUUGCAGCCGAUCAUCAGCACAUCUAGGUUUCGUCCGGGUGUGACCGAAAGGUAAG
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 265 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: 1330
n_atoms_counter: 1330
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _......(((((.(((((....)))))..)))))...........(((((.....))))).((((.......))))........((((((((.((.((((.(((.....))).)))))).))))))))....................................................((((((..((((((.(((((......)))))..))))))......)))(((((((.((......)))))))))(((....))))))_
nucl1: 16, chain1: 0, <---> nucl2: 21, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 21
nucl1: 15, chain1: 0, <---> nucl2: 22, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 22
nucl1: 14, chain1: 0, <---> nucl2: 23, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 23
nucl1: 13, chain1: 0, <---> nucl2: 24, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 24
nucl1: 12, chain1: 0, <---> nucl2: 25, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 25
nucl1: 10, chain1: 0, <---> nucl2: 28, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 28
nucl1: 9, chain1: 0, <---> nucl2: 29, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 29
nucl1: 8, chain1: 0, <---> nucl2: 30, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 30
nucl1: 7, chain1: 0, <---> nucl2: 31, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 31
nucl1: 6, chain1: 0, <---> nucl2: 32, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 32
nucl1: 48, chain1: 0, <---> nucl2: 54, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 48, chainIndex_2: 0, nuclIndex_2: 54
nucl1: 47, chain1: 0, <---> nucl2: 55, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 47, chainIndex_2: 0, nuclIndex_2: 55
nucl1: 46, chain1: 0, <---> nucl2: 56, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 46, chainIndex_2: 0, nuclIndex_2: 56
nucl1: 45, chain1: 0, <---> nucl2: 57, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 45, chainIndex_2: 0, nuclIndex_2: 57
nucl1: 44, chain1: 0, <---> nucl2: 58, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 44, chainIndex_2: 0, nuclIndex_2: 58
nucl1: 63, chain1: 0, <---> nucl2: 71, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 63, chainIndex_2: 0, nuclIndex_2: 71
nucl1: 62, chain1: 0, <---> nucl2: 72, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 62, chainIndex_2: 0, nuclIndex_2: 72
nucl1: 61, chain1: 0, <---> nucl2: 73, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 61, chainIndex_2: 0, nuclIndex_2: 73
nucl1: 60, chain1: 0, <---> nucl2: 74, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 60, chainIndex_2: 0, nuclIndex_2: 74
nucl1: 102, chain1: 0, <---> nucl2: 108, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 102, chainIndex_2: 0, nuclIndex_2: 108
nucl1: 101, chain1: 0, <---> nucl2: 109, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 101, chainIndex_2: 0, nuclIndex_2: 109
nucl1: 100, chain1: 0, <---> nucl2: 110, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 100, chainIndex_2: 0, nuclIndex_2: 110
nucl1: 98, chain1: 0, <---> nucl2: 112, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 98, chainIndex_2: 0, nuclIndex_2: 112
nucl1: 97, chain1: 0, <---> nucl2: 113, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 97, chainIndex_2: 0, nuclIndex_2: 113
nucl1: 96, chain1: 0, <---> nucl2: 114, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 96, chainIndex_2: 0, nuclIndex_2: 114
nucl1: 95, chain1: 0, <---> nucl2: 115, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 95, chainIndex_2: 0, nuclIndex_2: 115
nucl1: 93, chain1: 0, <---> nucl2: 116, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 93, chainIndex_2: 0, nuclIndex_2: 116
nucl1: 92, chain1: 0, <---> nucl2: 117, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 92, chainIndex_2: 0, nuclIndex_2: 117
nucl1: 90, chain1: 0, <---> nucl2: 119, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 90, chainIndex_2: 0, nuclIndex_2: 119
nucl1: 89, chain1: 0, <---> nucl2: 120, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 89, chainIndex_2: 0, nuclIndex_2: 120
nucl1: 88, chain1: 0, <---> nucl2: 121, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 88, chainIndex_2: 0, nuclIndex_2: 121
nucl1: 87, chain1: 0, <---> nucl2: 122, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 87, chainIndex_2: 0, nuclIndex_2: 122
nucl1: 86, chain1: 0, <---> nucl2: 123, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 86, chainIndex_2: 0, nuclIndex_2: 123
nucl1: 85, chain1: 0, <---> nucl2: 124, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 85, chainIndex_2: 0, nuclIndex_2: 124
nucl1: 84, chain1: 0, <---> nucl2: 125, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 84, chainIndex_2: 0, nuclIndex_2: 125
nucl1: 83, chain1: 0, <---> nucl2: 126, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 83, chainIndex_2: 0, nuclIndex_2: 126
nucl1: 198, chain1: 0, <---> nucl2: 205, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 198, chainIndex_2: 0, nuclIndex_2: 205
nucl1: 197, chain1: 0, <---> nucl2: 206, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 197, chainIndex_2: 0, nuclIndex_2: 206
nucl1: 196, chain1: 0, <---> nucl2: 207, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 196, chainIndex_2: 0, nuclIndex_2: 207
nucl1: 195, chain1: 0, <---> nucl2: 208, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 195, chainIndex_2: 0, nuclIndex_2: 208
nucl1: 194, chain1: 0, <---> nucl2: 209, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 194, chainIndex_2: 0, nuclIndex_2: 209
nucl1: 192, chain1: 0, <---> nucl2: 212, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 192, chainIndex_2: 0, nuclIndex_2: 212
nucl1: 191, chain1: 0, <---> nucl2: 213, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 191, chainIndex_2: 0, nuclIndex_2: 213
nucl1: 190, chain1: 0, <---> nucl2: 214, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 190, chainIndex_2: 0, nuclIndex_2: 214
nucl1: 189, chain1: 0, <---> nucl2: 215, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 189, chainIndex_2: 0, nuclIndex_2: 215
nucl1: 188, chain1: 0, <---> nucl2: 216, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 188, chainIndex_2: 0, nuclIndex_2: 216
nucl1: 187, chain1: 0, <---> nucl2: 217, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 187, chainIndex_2: 0, nuclIndex_2: 217
nucl1: 184, chain1: 0, <---> nucl2: 224, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 184, chainIndex_2: 0, nuclIndex_2: 224
nucl1: 183, chain1: 0, <---> nucl2: 225, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 183, chainIndex_2: 0, nuclIndex_2: 225
nucl1: 182, chain1: 0, <---> nucl2: 226, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 182, chainIndex_2: 0, nuclIndex_2: 226
nucl1: 236, chain1: 0, <---> nucl2: 243, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 236, chainIndex_2: 0, nuclIndex_2: 243
nucl1: 235, chain1: 0, <---> nucl2: 244, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 235, chainIndex_2: 0, nuclIndex_2: 244
nucl1: 233, chain1: 0, <---> nucl2: 245, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 233, chainIndex_2: 0, nuclIndex_2: 245
nucl1: 232, chain1: 0, <---> nucl2: 246, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 232, chainIndex_2: 0, nuclIndex_2: 246
nucl1: 231, chain1: 0, <---> nucl2: 247, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 231, chainIndex_2: 0, nuclIndex_2: 247
nucl1: 230, chain1: 0, <---> nucl2: 248, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 230, chainIndex_2: 0, nuclIndex_2: 248
nucl1: 229, chain1: 0, <---> nucl2: 249, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 229, chainIndex_2: 0, nuclIndex_2: 249
nucl1: 228, chain1: 0, <---> nucl2: 250, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 228, chainIndex_2: 0, nuclIndex_2: 250
nucl1: 227, chain1: 0, <---> nucl2: 251, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 227, chainIndex_2: 0, nuclIndex_2: 251
nucl1: 254, chain1: 0, <---> nucl2: 259, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 254, chainIndex_2: 0, nuclIndex_2: 259
nucl1: 253, chain1: 0, <---> nucl2: 260, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 253, chainIndex_2: 0, nuclIndex_2: 260
nucl1: 252, chain1: 0, <---> nucl2: 261, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 252, chainIndex_2: 0, nuclIndex_2: 261
nucl1: 181, chain1: 0, <---> nucl2: 262, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 181, chainIndex_2: 0, nuclIndex_2: 262
nucl1: 180, chain1: 0, <---> nucl2: 263, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 180, chainIndex_2: 0, nuclIndex_2: 263
nucl1: 179, chain1: 0, <---> nucl2: 264, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 179, chainIndex_2: 0, nuclIndex_2: 264
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 265.000000 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/1-c06ca4fa/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1-c06ca4fa/inputs/seq.fa: 1
curr_seq: _AUUAAAGGUUUAUACCUUCCCAGGUAACAAACCAACCAACUUUCGAUCUCUUGUAGAUCUGUUCUCUAAACGAACUUUAAAAUCUGUGUGGCUGUCACUCGGCUGCAUGCUUAGUGCACUCACGCAGUAUAAUUAAUAACUAAUUACUGUCGUUGACAGGACACGAGUAACUCGUCUAUCUUCUGCAGGCUGCUUACGGUUUCGUCCGUGUUGCAGCCGAUCAUCAGCACAUCUAGGUUUCGUCCGGGUGUGACCGAAAGGUAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUUAAAGGUUUAUACCUUCCCAGGUAACAAACCAACCAACUUUCGAUCUCUUGUAGAUCUGUUCUCUAAACGAACUUUAAAAUCUGUGUGGCUGUCACUCGGCUGCAUGCUUAGUGCACUCACGCAGUAUAAUUAAUAACUAAUUACUGUCGUUGACAGGACACGAGUAACUCGUCUAUCUUCUGCAGGCUGCUUACGGUUUCGUCCGUGUUGCAGCCGAUCAUCAGCACAUCUAGGUUUCGUCCGGGUGUGACCGAAAGGUAAG
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 265 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: 1330
n_atoms_counter: 1330
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _......(((((.(((((....)))))..)))))...........(((((.....))))).((((.......))))........((((((((.((.((((.(((.....))).)))))).))))))))....................................................((((((..((((((.(((((......)))))..))))))......)))(((((((.((......)))))))))(((....))))))_
nucl1: 16, chain1: 0, <---> nucl2: 21, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 21
nucl1: 15, chain1: 0, <---> nucl2: 22, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 22
nucl1: 14, chain1: 0, <---> nucl2: 23, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 23
nucl1: 13, chain1: 0, <---> nucl2: 24, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 24
nucl1: 12, chain1: 0, <---> nucl2: 25, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 25
nucl1: 10, chain1: 0, <---> nucl2: 28, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 28
nucl1: 9, chain1: 0, <---> nucl2: 29, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 29
nucl1: 8, chain1: 0, <---> nucl2: 30, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 30
nucl1: 7, chain1: 0, <---> nucl2: 31, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 31
nucl1: 6, chain1: 0, <---> nucl2: 32, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 32
nucl1: 48, chain1: 0, <---> nucl2: 54, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 48, chainIndex_2: 0, nuclIndex_2: 54
nucl1: 47, chain1: 0, <---> nucl2: 55, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 47, chainIndex_2: 0, nuclIndex_2: 55
nucl1: 46, chain1: 0, <---> nucl2: 56, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 46, chainIndex_2: 0, nuclIndex_2: 56
nucl1: 45, chain1: 0, <---> nucl2: 57, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 45, chainIndex_2: 0, nuclIndex_2: 57
nucl1: 44, chain1: 0, <---> nucl2: 58, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 44, chainIndex_2: 0, nuclIndex_2: 58
nucl1: 63, chain1: 0, <---> nucl2: 71, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 63, chainIndex_2: 0, nuclIndex_2: 71
nucl1: 62, chain1: 0, <---> nucl2: 72, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 62, chainIndex_2: 0, nuclIndex_2: 72
nucl1: 61, chain1: 0, <---> nucl2: 73, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 61, chainIndex_2: 0, nuclIndex_2: 73
nucl1: 60, chain1: 0, <---> nucl2: 74, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 60, chainIndex_2: 0, nuclIndex_2: 74
nucl1: 102, chain1: 0, <---> nucl2: 108, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 102, chainIndex_2: 0, nuclIndex_2: 108
nucl1: 101, chain1: 0, <---> nucl2: 109, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 101, chainIndex_2: 0, nuclIndex_2: 109
nucl1: 100, chain1: 0, <---> nucl2: 110, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 100, chainIndex_2: 0, nuclIndex_2: 110
nucl1: 98, chain1: 0, <---> nucl2: 112, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 98, chainIndex_2: 0, nuclIndex_2: 112
nucl1: 97, chain1: 0, <---> nucl2: 113, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 97, chainIndex_2: 0, nuclIndex_2: 113
nucl1: 96, chain1: 0, <---> nucl2: 114, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 96, chainIndex_2: 0, nuclIndex_2: 114
nucl1: 95, chain1: 0, <---> nucl2: 115, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 95, chainIndex_2: 0, nuclIndex_2: 115
nucl1: 93, chain1: 0, <---> nucl2: 116, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 93, chainIndex_2: 0, nuclIndex_2: 116
nucl1: 92, chain1: 0, <---> nucl2: 117, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 92, chainIndex_2: 0, nuclIndex_2: 117
nucl1: 90, chain1: 0, <---> nucl2: 119, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 90, chainIndex_2: 0, nuclIndex_2: 119
nucl1: 89, chain1: 0, <---> nucl2: 120, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 89, chainIndex_2: 0, nuclIndex_2: 120
nucl1: 88, chain1: 0, <---> nucl2: 121, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 88, chainIndex_2: 0, nuclIndex_2: 121
nucl1: 87, chain1: 0, <---> nucl2: 122, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 87, chainIndex_2: 0, nuclIndex_2: 122
nucl1: 86, chain1: 0, <---> nucl2: 123, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 86, chainIndex_2: 0, nuclIndex_2: 123
nucl1: 85, chain1: 0, <---> nucl2: 124, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 85, chainIndex_2: 0, nuclIndex_2: 124
nucl1: 84, chain1: 0, <---> nucl2: 125, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 84, chainIndex_2: 0, nuclIndex_2: 125
nucl1: 83, chain1: 0, <---> nucl2: 126, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 83, chainIndex_2: 0, nuclIndex_2: 126
nucl1: 198, chain1: 0, <---> nucl2: 205, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 198, chainIndex_2: 0, nuclIndex_2: 205
nucl1: 197, chain1: 0, <---> nucl2: 206, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 197, chainIndex_2: 0, nuclIndex_2: 206
nucl1: 196, chain1: 0, <---> nucl2: 207, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 196, chainIndex_2: 0, nuclIndex_2: 207
nucl1: 195, chain1: 0, <---> nucl2: 208, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 195, chainIndex_2: 0, nuclIndex_2: 208
nucl1: 194, chain1: 0, <---> nucl2: 209, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 194, chainIndex_2: 0, nuclIndex_2: 209
nucl1: 192, chain1: 0, <---> nucl2: 212, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 192, chainIndex_2: 0, nuclIndex_2: 212
nucl1: 191, chain1: 0, <---> nucl2: 213, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 191, chainIndex_2: 0, nuclIndex_2: 213
nucl1: 190, chain1: 0, <---> nucl2: 214, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 190, chainIndex_2: 0, nuclIndex_2: 214
nucl1: 189, chain1: 0, <---> nucl2: 215, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 189, chainIndex_2: 0, nuclIndex_2: 215
nucl1: 188, chain1: 0, <---> nucl2: 216, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 188, chainIndex_2: 0, nuclIndex_2: 216
nucl1: 187, chain1: 0, <---> nucl2: 217, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 187, chainIndex_2: 0, nuclIndex_2: 217
nucl1: 184, chain1: 0, <---> nucl2: 224, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 184, chainIndex_2: 0, nuclIndex_2: 224
nucl1: 183, chain1: 0, <---> nucl2: 225, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 183, chainIndex_2: 0, nuclIndex_2: 225
nucl1: 182, chain1: 0, <---> nucl2: 226, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 182, chainIndex_2: 0, nuclIndex_2: 226
nucl1: 236, chain1: 0, <---> nucl2: 243, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 236, chainIndex_2: 0, nuclIndex_2: 243
nucl1: 235, chain1: 0, <---> nucl2: 244, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 235, chainIndex_2: 0, nuclIndex_2: 244
nucl1: 233, chain1: 0, <---> nucl2: 245, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 233, chainIndex_2: 0, nuclIndex_2: 245
nucl1: 232, chain1: 0, <---> nucl2: 246, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 232, chainIndex_2: 0, nuclIndex_2: 246
nucl1: 231, chain1: 0, <---> nucl2: 247, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 231, chainIndex_2: 0, nuclIndex_2: 247
nucl1: 230, chain1: 0, <---> nucl2: 248, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 230, chainIndex_2: 0, nuclIndex_2: 248
nucl1: 229, chain1: 0, <---> nucl2: 249, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 229, chainIndex_2: 0, nuclIndex_2: 249
nucl1: 228, chain1: 0, <---> nucl2: 250, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 228, chainIndex_2: 0, nuclIndex_2: 250
nucl1: 227, chain1: 0, <---> nucl2: 251, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 227, chainIndex_2: 0, nuclIndex_2: 251
nucl1: 254, chain1: 0, <---> nucl2: 259, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 254, chainIndex_2: 0, nuclIndex_2: 259
nucl1: 253, chain1: 0, <---> nucl2: 260, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 253, chainIndex_2: 0, nuclIndex_2: 260
nucl1: 252, chain1: 0, <---> nucl2: 261, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 252, chainIndex_2: 0, nuclIndex_2: 261
nucl1: 181, chain1: 0, <---> nucl2: 262, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 181, chainIndex_2: 0, nuclIndex_2: 262
nucl1: 180, chain1: 0, <---> nucl2: 263, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 180, chainIndex_2: 0, nuclIndex_2: 263
nucl1: 179, chain1: 0, <---> nucl2: 264, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 179, chainIndex_2: 0, nuclIndex_2: 264
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 265.000000 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/1-c06ca4fa/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1-c06ca4fa/inputs/seq.fa: 1
curr_seq: _AUUAAAGGUUUAUACCUUCCCAGGUAACAAACCAACCAACUUUCGAUCUCUUGUAGAUCUGUUCUCUAAACGAACUUUAAAAUCUGUGUGGCUGUCACUCGGCUGCAUGCUUAGUGCACUCACGCAGUAUAAUUAAUAACUAAUUACUGUCGUUGACAGGACACGAGUAACUCGUCUAUCUUCUGCAGGCUGCUUACGGUUUCGUCCGUGUUGCAGCCGAUCAUCAGCACAUCUAGGUUUCGUCCGGGUGUGACCGAAAGGUAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUUAAAGGUUUAUACCUUCCCAGGUAACAAACCAACCAACUUUCGAUCUCUUGUAGAUCUGUUCUCUAAACGAACUUUAAAAUCUGUGUGGCUGUCACUCGGCUGCAUGCUUAGUGCACUCACGCAGUAUAAUUAAUAACUAAUUACUGUCGUUGACAGGACACGAGUAACUCGUCUAUCUUCUGCAGGCUGCUUACGGUUUCGUCCGUGUUGCAGCCGAUCAUCAGCACAUCUAGGUUUCGUCCGGGUGUGACCGAAAGGUAAG
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 265 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: 1330
n_atoms_counter: 1330
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _......(((((.(((((....)))))..)))))...........(((((.....))))).((((.......))))........((((((((.((.((((.(((.....))).)))))).))))))))....................................................((((((..((((((.(((((......)))))..))))))......)))(((((((.((......)))))))))(((....))))))_
nucl1: 16, chain1: 0, <---> nucl2: 21, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 21
nucl1: 15, chain1: 0, <---> nucl2: 22, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 22
nucl1: 14, chain1: 0, <---> nucl2: 23, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 23
nucl1: 13, chain1: 0, <---> nucl2: 24, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 24
nucl1: 12, chain1: 0, <---> nucl2: 25, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 25
nucl1: 10, chain1: 0, <---> nucl2: 28, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 28
nucl1: 9, chain1: 0, <---> nucl2: 29, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 29
nucl1: 8, chain1: 0, <---> nucl2: 30, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 30
nucl1: 7, chain1: 0, <---> nucl2: 31, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 31
nucl1: 6, chain1: 0, <---> nucl2: 32, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 32
nucl1: 48, chain1: 0, <---> nucl2: 54, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 48, chainIndex_2: 0, nuclIndex_2: 54
nucl1: 47, chain1: 0, <---> nucl2: 55, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 47, chainIndex_2: 0, nuclIndex_2: 55
nucl1: 46, chain1: 0, <---> nucl2: 56, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 46, chainIndex_2: 0, nuclIndex_2: 56
nucl1: 45, chain1: 0, <---> nucl2: 57, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 45, chainIndex_2: 0, nuclIndex_2: 57
nucl1: 44, chain1: 0, <---> nucl2: 58, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 44, chainIndex_2: 0, nuclIndex_2: 58
nucl1: 63, chain1: 0, <---> nucl2: 71, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 63, chainIndex_2: 0, nuclIndex_2: 71
nucl1: 62, chain1: 0, <---> nucl2: 72, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 62, chainIndex_2: 0, nuclIndex_2: 72
nucl1: 61, chain1: 0, <---> nucl2: 73, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 61, chainIndex_2: 0, nuclIndex_2: 73
nucl1: 60, chain1: 0, <---> nucl2: 74, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 60, chainIndex_2: 0, nuclIndex_2: 74
nucl1: 102, chain1: 0, <---> nucl2: 108, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 102, chainIndex_2: 0, nuclIndex_2: 108
nucl1: 101, chain1: 0, <---> nucl2: 109, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 101, chainIndex_2: 0, nuclIndex_2: 109
nucl1: 100, chain1: 0, <---> nucl2: 110, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 100, chainIndex_2: 0, nuclIndex_2: 110
nucl1: 98, chain1: 0, <---> nucl2: 112, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 98, chainIndex_2: 0, nuclIndex_2: 112
nucl1: 97, chain1: 0, <---> nucl2: 113, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 97, chainIndex_2: 0, nuclIndex_2: 113
nucl1: 96, chain1: 0, <---> nucl2: 114, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 96, chainIndex_2: 0, nuclIndex_2: 114
nucl1: 95, chain1: 0, <---> nucl2: 115, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 95, chainIndex_2: 0, nuclIndex_2: 115
nucl1: 93, chain1: 0, <---> nucl2: 116, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 93, chainIndex_2: 0, nuclIndex_2: 116
nucl1: 92, chain1: 0, <---> nucl2: 117, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 92, chainIndex_2: 0, nuclIndex_2: 117
nucl1: 90, chain1: 0, <---> nucl2: 119, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 90, chainIndex_2: 0, nuclIndex_2: 119
nucl1: 89, chain1: 0, <---> nucl2: 120, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 89, chainIndex_2: 0, nuclIndex_2: 120
nucl1: 88, chain1: 0, <---> nucl2: 121, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 88, chainIndex_2: 0, nuclIndex_2: 121
nucl1: 87, chain1: 0, <---> nucl2: 122, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 87, chainIndex_2: 0, nuclIndex_2: 122
nucl1: 86, chain1: 0, <---> nucl2: 123, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 86, chainIndex_2: 0, nuclIndex_2: 123
nucl1: 85, chain1: 0, <---> nucl2: 124, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 85, chainIndex_2: 0, nuclIndex_2: 124
nucl1: 84, chain1: 0, <---> nucl2: 125, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 84, chainIndex_2: 0, nuclIndex_2: 125
nucl1: 83, chain1: 0, <---> nucl2: 126, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 83, chainIndex_2: 0, nuclIndex_2: 126
nucl1: 198, chain1: 0, <---> nucl2: 205, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 198, chainIndex_2: 0, nuclIndex_2: 205
nucl1: 197, chain1: 0, <---> nucl2: 206, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 197, chainIndex_2: 0, nuclIndex_2: 206
nucl1: 196, chain1: 0, <---> nucl2: 207, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 196, chainIndex_2: 0, nuclIndex_2: 207
nucl1: 195, chain1: 0, <---> nucl2: 208, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 195, chainIndex_2: 0, nuclIndex_2: 208
nucl1: 194, chain1: 0, <---> nucl2: 209, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 194, chainIndex_2: 0, nuclIndex_2: 209
nucl1: 192, chain1: 0, <---> nucl2: 212, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 192, chainIndex_2: 0, nuclIndex_2: 212
nucl1: 191, chain1: 0, <---> nucl2: 213, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 191, chainIndex_2: 0, nuclIndex_2: 213
nucl1: 190, chain1: 0, <---> nucl2: 214, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 190, chainIndex_2: 0, nuclIndex_2: 214
nucl1: 189, chain1: 0, <---> nucl2: 215, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 189, chainIndex_2: 0, nuclIndex_2: 215
nucl1: 188, chain1: 0, <---> nucl2: 216, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 188, chainIndex_2: 0, nuclIndex_2: 216
nucl1: 187, chain1: 0, <---> nucl2: 217, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 187, chainIndex_2: 0, nuclIndex_2: 217
nucl1: 184, chain1: 0, <---> nucl2: 224, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 184, chainIndex_2: 0, nuclIndex_2: 224
nucl1: 183, chain1: 0, <---> nucl2: 225, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 183, chainIndex_2: 0, nuclIndex_2: 225
nucl1: 182, chain1: 0, <---> nucl2: 226, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 182, chainIndex_2: 0, nuclIndex_2: 226
nucl1: 236, chain1: 0, <---> nucl2: 243, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 236, chainIndex_2: 0, nuclIndex_2: 243
nucl1: 235, chain1: 0, <---> nucl2: 244, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 235, chainIndex_2: 0, nuclIndex_2: 244
nucl1: 233, chain1: 0, <---> nucl2: 245, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 233, chainIndex_2: 0, nuclIndex_2: 245
nucl1: 232, chain1: 0, <---> nucl2: 246, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 232, chainIndex_2: 0, nuclIndex_2: 246
nucl1: 231, chain1: 0, <---> nucl2: 247, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 231, chainIndex_2: 0, nuclIndex_2: 247
nucl1: 230, chain1: 0, <---> nucl2: 248, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 230, chainIndex_2: 0, nuclIndex_2: 248
nucl1: 229, chain1: 0, <---> nucl2: 249, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 229, chainIndex_2: 0, nuclIndex_2: 249
nucl1: 228, chain1: 0, <---> nucl2: 250, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 228, chainIndex_2: 0, nuclIndex_2: 250
nucl1: 227, chain1: 0, <---> nucl2: 251, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 227, chainIndex_2: 0, nuclIndex_2: 251
nucl1: 254, chain1: 0, <---> nucl2: 259, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 254, chainIndex_2: 0, nuclIndex_2: 259
nucl1: 253, chain1: 0, <---> nucl2: 260, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 253, chainIndex_2: 0, nuclIndex_2: 260
nucl1: 252, chain1: 0, <---> nucl2: 261, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 252, chainIndex_2: 0, nuclIndex_2: 261
nucl1: 181, chain1: 0, <---> nucl2: 262, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 181, chainIndex_2: 0, nuclIndex_2: 262
nucl1: 180, chain1: 0, <---> nucl2: 263, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 180, chainIndex_2: 0, nuclIndex_2: 263
nucl1: 179, chain1: 0, <---> nucl2: 264, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 179, chainIndex_2: 0, nuclIndex_2: 264
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 265.000000 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: 4273.736635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 4273.736635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.263886 (E_RNA)
where:
Base-Base interactions energy: -29.965
where: short stacking energy: -29.965
Base-Backbone interact. energy: -0.000
local terms energy: -1031.298770
where:
bonds (distance) C4'-P energy: -257.468
bonds (distance) P-C4' energy: -237.977
flat angles C4'-P-C4' energy: -194.570
flat angles P-C4'-P energy: -222.567
tors. eta vs tors. theta energy: -118.717
Dist. restrs. and SS energy: 5335.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: 4273.736635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 4273.736635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.263886 (E_RNA)
where:
Base-Base interactions energy: -29.965
where: short stacking energy: -29.965
Base-Backbone interact. energy: -0.000
local terms energy: -1031.298770
where:
bonds (distance) C4'-P energy: -257.468
bonds (distance) P-C4' energy: -237.977
flat angles C4'-P-C4' energy: -194.570
flat angles P-C4'-P energy: -222.567
tors. eta vs tors. theta energy: -118.717
Dist. restrs. and SS energy: 5335.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: 4273.736635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 4273.736635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.263886 (E_RNA)
where:
Base-Base interactions energy: -29.965
where: short stacking energy: -29.965
Base-Backbone interact. energy: -0.000
local terms energy: -1031.298770
where:
bonds (distance) C4'-P energy: -257.468
bonds (distance) P-C4' energy: -237.977
flat angles C4'-P-C4' energy: -194.570
flat angles P-C4'-P energy: -222.567
tors. eta vs tors. theta energy: -118.717
Dist. restrs. and SS energy: 5335.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: 4273.736635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 4273.736635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.263886 (E_RNA)
where:
Base-Base interactions energy: -29.965
where: short stacking energy: -29.965
Base-Backbone interact. energy: -0.000
local terms energy: -1031.298770
where:
bonds (distance) C4'-P energy: -257.468
bonds (distance) P-C4' energy: -237.977
flat angles C4'-P-C4' energy: -194.570
flat angles P-C4'-P energy: -222.567
tors. eta vs tors. theta energy: -118.717
Dist. restrs. and SS energy: 5335.001 (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: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: 4273.736635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 4273.736635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.263886 (E_RNA)
where:
Base-Base interactions energy: -29.965
where: short stacking energy: -29.965
Base-Backbone interact. energy: -0.000
local terms energy: -1031.298770
where:
bonds (distance) C4'-P energy: -257.468
bonds (distance) P-C4' energy: -237.977
flat angles C4'-P-C4' energy: -194.570
flat angles P-C4'-P energy: -222.567
tors. eta vs tors. theta energy: -118.717
Dist. restrs. and SS energy: 5335.001 (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: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: 4273.736635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 4273.736635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.263886 (E_RNA)
where:
Base-Base interactions energy: -29.965
where: short stacking energy: -29.965
Base-Backbone interact. energy: -0.000
local terms energy: -1031.298770
where:
bonds (distance) C4'-P energy: -257.468
bonds (distance) P-C4' energy: -237.977
flat angles C4'-P-C4' energy: -194.570
flat angles P-C4'-P energy: -222.567
tors. eta vs tors. theta energy: -118.717
Dist. restrs. and SS energy: 5335.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: 4273.736635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 4273.736635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.263886 (E_RNA)
where:
Base-Base interactions energy: -29.965
where: short stacking energy: -29.965
Base-Backbone interact. energy: -0.000
local terms energy: -1031.298770
where:
bonds (distance) C4'-P energy: -257.468
bonds (distance) P-C4' energy: -237.977
flat angles C4'-P-C4' energy: -194.570
flat angles P-C4'-P energy: -222.567
tors. eta vs tors. theta energy: -118.717
Dist. restrs. and SS energy: 5335.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: 4273.736635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 4273.736635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.263886 (E_RNA)
where:
Base-Base interactions energy: -29.965
where: short stacking energy: -29.965
Base-Backbone interact. energy: -0.000
local terms energy: -1031.298770
where:
bonds (distance) C4'-P energy: -257.468
bonds (distance) P-C4' energy: -237.977
flat angles C4'-P-C4' energy: -194.570
flat angles P-C4'-P energy: -222.567
tors. eta vs tors. theta energy: -118.717
Dist. restrs. and SS energy: 5335.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: 4273.736635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 4273.736635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.263886 (E_RNA)
where:
Base-Base interactions energy: -29.965
where: short stacking energy: -29.965
Base-Backbone interact. energy: -0.000
local terms energy: -1031.298770
where:
bonds (distance) C4'-P energy: -257.468
bonds (distance) P-C4' energy: -237.977
flat angles C4'-P-C4' energy: -194.570
flat angles P-C4'-P energy: -222.567
tors. eta vs tors. theta energy: -118.717
Dist. restrs. and SS energy: 5335.001 (S_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: 4273.736635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 4273.736635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.263886 (E_RNA)
where:
Base-Base interactions energy: -29.965
where: short stacking energy: -29.965
Base-Backbone interact. energy: -0.000
local terms energy: -1031.298770
where:
bonds (distance) C4'-P energy: -257.468
bonds (distance) P-C4' energy: -237.977
flat angles C4'-P-C4' energy: -194.570
flat angles P-C4'-P energy: -222.567
tors. eta vs tors. theta energy: -118.717
Dist. restrs. and SS energy: 5335.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -574.854369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.854369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.144549 (E_RNA)
where:
Base-Base interactions energy: -794.369
where: short stacking energy: -495.663
Base-Backbone interact. energy: -2.630
local terms energy: -692.145946
where:
bonds (distance) C4'-P energy: -170.496
bonds (distance) P-C4' energy: -160.796
flat angles C4'-P-C4' energy: -145.592
flat angles P-C4'-P energy: -90.348
tors. eta vs tors. theta energy: -124.914
Dist. restrs. and SS energy: 914.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -745.656757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.656757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.603244 (E_RNA)
where:
Base-Base interactions energy: -774.177
where: short stacking energy: -447.090
Base-Backbone interact. energy: 0.354
local terms energy: -642.780821
where:
bonds (distance) C4'-P energy: -159.001
bonds (distance) P-C4' energy: -150.130
flat angles C4'-P-C4' energy: -148.893
flat angles P-C4'-P energy: -82.006
tors. eta vs tors. theta energy: -102.751
Dist. restrs. and SS energy: 670.946 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -626.140334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.140334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.748672 (E_RNA)
where:
Base-Base interactions energy: -722.654
where: short stacking energy: -414.160
Base-Backbone interact. energy: -0.708
local terms energy: -645.386783
where:
bonds (distance) C4'-P energy: -161.801
bonds (distance) P-C4' energy: -160.474
flat angles C4'-P-C4' energy: -144.034
flat angles P-C4'-P energy: -83.912
tors. eta vs tors. theta energy: -95.165
Dist. restrs. and SS energy: 742.608 (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: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -674.254723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.254723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.295707 (E_RNA)
where:
Base-Base interactions energy: -751.429
where: short stacking energy: -375.814
Base-Backbone interact. energy: -0.337
local terms energy: -561.529314
where:
bonds (distance) C4'-P energy: -148.040
bonds (distance) P-C4' energy: -142.328
flat angles C4'-P-C4' energy: -120.661
flat angles P-C4'-P energy: -85.128
tors. eta vs tors. theta energy: -65.372
Dist. restrs. and SS energy: 639.041 (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: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -807.159235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.159235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.102741 (E_RNA)
where:
Base-Base interactions energy: -751.492
where: short stacking energy: -398.311
Base-Backbone interact. energy: -1.981
local terms energy: -601.629957
where:
bonds (distance) C4'-P energy: -154.390
bonds (distance) P-C4' energy: -149.815
flat angles C4'-P-C4' energy: -135.812
flat angles P-C4'-P energy: -75.556
tors. eta vs tors. theta energy: -86.057
Dist. restrs. and SS energy: 547.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -557.893503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.893503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.701088 (E_RNA)
where:
Base-Base interactions energy: -598.336
where: short stacking energy: -333.948
Base-Backbone interact. energy: -1.655
local terms energy: -522.710376
where:
bonds (distance) C4'-P energy: -151.395
bonds (distance) P-C4' energy: -139.440
flat angles C4'-P-C4' energy: -110.227
flat angles P-C4'-P energy: -70.908
tors. eta vs tors. theta energy: -50.739
Dist. restrs. and SS energy: 564.808 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -754.255928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.255928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.261689 (E_RNA)
where:
Base-Base interactions energy: -696.018
where: short stacking energy: -332.283
Base-Backbone interact. energy: 0.514
local terms energy: -461.757432
where:
bonds (distance) C4'-P energy: -117.419
bonds (distance) P-C4' energy: -117.484
flat angles C4'-P-C4' energy: -113.561
flat angles P-C4'-P energy: -64.448
tors. eta vs tors. theta energy: -48.846
Dist. restrs. and SS energy: 403.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -505.565360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.565360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.682750 (E_RNA)
where:
Base-Base interactions energy: -562.227
where: short stacking energy: -266.570
Base-Backbone interact. energy: 9.084
local terms energy: -456.538869
where:
bonds (distance) C4'-P energy: -129.148
bonds (distance) P-C4' energy: -115.994
flat angles C4'-P-C4' energy: -131.324
flat angles P-C4'-P energy: -43.708
tors. eta vs tors. theta energy: -36.365
Dist. restrs. and SS energy: 504.117 (S_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: -714.111518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.111518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.043049 (E_RNA)
where:
Base-Base interactions energy: -693.802
where: short stacking energy: -334.433
Base-Backbone interact. energy: 1.840
local terms energy: -506.081249
where:
bonds (distance) C4'-P energy: -122.463
bonds (distance) P-C4' energy: -128.806
flat angles C4'-P-C4' energy: -119.680
flat angles P-C4'-P energy: -64.024
tors. eta vs tors. theta energy: -71.108
Dist. restrs. and SS energy: 483.932 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -555.500566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.500566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.428877 (E_RNA)
where:
Base-Base interactions energy: -438.689
where: short stacking energy: -217.063
Base-Backbone interact. energy: -3.227
local terms energy: -435.513332
where:
bonds (distance) C4'-P energy: -141.044
bonds (distance) P-C4' energy: -139.336
flat angles C4'-P-C4' energy: -99.381
flat angles P-C4'-P energy: -47.235
tors. eta vs tors. theta energy: -8.517
Dist. restrs. and SS energy: 321.928 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -1357.785398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.785398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.808616 (E_RNA)
where:
Base-Base interactions energy: -1000.563
where: short stacking energy: -488.881
Base-Backbone interact. energy: -2.266
local terms energy: -672.979391
where:
bonds (distance) C4'-P energy: -153.010
bonds (distance) P-C4' energy: -170.534
flat angles C4'-P-C4' energy: -154.325
flat angles P-C4'-P energy: -86.318
tors. eta vs tors. theta energy: -108.791
Dist. restrs. and SS energy: 318.023 (S_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: -1369.926449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.926449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.408368 (E_RNA)
where:
Base-Base interactions energy: -988.503
where: short stacking energy: -494.583
Base-Backbone interact. energy: -1.490
local terms energy: -669.415023
where:
bonds (distance) C4'-P energy: -163.101
bonds (distance) P-C4' energy: -162.381
flat angles C4'-P-C4' energy: -142.431
flat angles P-C4'-P energy: -95.713
tors. eta vs tors. theta energy: -105.789
Dist. restrs. and SS energy: 289.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -1352.052342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.052342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.448081 (E_RNA)
where:
Base-Base interactions energy: -976.267
where: short stacking energy: -461.909
Base-Backbone interact. energy: -2.174
local terms energy: -673.006539
where:
bonds (distance) C4'-P energy: -153.598
bonds (distance) P-C4' energy: -146.104
flat angles C4'-P-C4' energy: -164.767
flat angles P-C4'-P energy: -99.637
tors. eta vs tors. theta energy: -108.899
Dist. restrs. and SS energy: 299.396 (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: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -1443.260649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.260649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.146797 (E_RNA)
where:
Base-Base interactions energy: -998.380
where: short stacking energy: -475.331
Base-Backbone interact. energy: -1.672
local terms energy: -655.094687
where:
bonds (distance) C4'-P energy: -150.264
bonds (distance) P-C4' energy: -163.425
flat angles C4'-P-C4' energy: -140.650
flat angles P-C4'-P energy: -85.716
tors. eta vs tors. theta energy: -115.040
Dist. restrs. and SS energy: 211.886 (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: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -1337.399610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.399610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.988523 (E_RNA)
where:
Base-Base interactions energy: -891.686
where: short stacking energy: -397.380
Base-Backbone interact. energy: 0.712
local terms energy: -649.015139
where:
bonds (distance) C4'-P energy: -156.921
bonds (distance) P-C4' energy: -149.561
flat angles C4'-P-C4' energy: -151.457
flat angles P-C4'-P energy: -94.430
tors. eta vs tors. theta energy: -96.647
Dist. restrs. and SS energy: 202.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -1307.887375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.887375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.167300 (E_RNA)
where:
Base-Base interactions energy: -908.359
where: short stacking energy: -425.032
Base-Backbone interact. energy: -2.378
local terms energy: -581.430454
where:
bonds (distance) C4'-P energy: -150.865
bonds (distance) P-C4' energy: -145.772
flat angles C4'-P-C4' energy: -133.455
flat angles P-C4'-P energy: -70.105
tors. eta vs tors. theta energy: -81.233
Dist. restrs. and SS energy: 184.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -1171.538119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.538119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.425931 (E_RNA)
where:
Base-Base interactions energy: -838.174
where: short stacking energy: -346.787
Base-Backbone interact. energy: -2.841
local terms energy: -492.410799
where:
bonds (distance) C4'-P energy: -124.367
bonds (distance) P-C4' energy: -131.302
flat angles C4'-P-C4' energy: -111.124
flat angles P-C4'-P energy: -65.182
tors. eta vs tors. theta energy: -60.436
Dist. restrs. and SS energy: 161.888 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -1294.109933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.109933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.818446 (E_RNA)
where:
Base-Base interactions energy: -925.795
where: short stacking energy: -421.843
Base-Backbone interact. energy: 3.703
local terms energy: -519.726954
where:
bonds (distance) C4'-P energy: -116.529
bonds (distance) P-C4' energy: -144.619
flat angles C4'-P-C4' energy: -122.045
flat angles P-C4'-P energy: -66.036
tors. eta vs tors. theta energy: -70.498
Dist. restrs. and SS energy: 147.709 (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: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -1033.184133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.184133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.039382 (E_RNA)
where:
Base-Base interactions energy: -687.965
where: short stacking energy: -340.825
Base-Backbone interact. energy: -2.305
local terms energy: -490.769172
where:
bonds (distance) C4'-P energy: -112.605
bonds (distance) P-C4' energy: -134.129
flat angles C4'-P-C4' energy: -121.241
flat angles P-C4'-P energy: -69.935
tors. eta vs tors. theta energy: -52.859
Dist. restrs. and SS energy: 147.855 (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: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -1007.079299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.079299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.923597 (E_RNA)
where:
Base-Base interactions energy: -651.840
where: short stacking energy: -269.235
Base-Backbone interact. energy: 3.560
local terms energy: -472.643277
where:
bonds (distance) C4'-P energy: -138.354
bonds (distance) P-C4' energy: -122.438
flat angles C4'-P-C4' energy: -112.222
flat angles P-C4'-P energy: -66.654
tors. eta vs tors. theta energy: -32.976
Dist. restrs. and SS energy: 113.844 (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: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -1732.416421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.416421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.224001 (E_RNA)
where:
Base-Base interactions energy: -1166.155
where: short stacking energy: -514.157
Base-Backbone interact. energy: -4.182
local terms energy: -717.886871
where:
bonds (distance) C4'-P energy: -176.779
bonds (distance) P-C4' energy: -167.546
flat angles C4'-P-C4' energy: -167.711
flat angles P-C4'-P energy: -86.900
tors. eta vs tors. theta energy: -118.950
Dist. restrs. and SS energy: 155.808 (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: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -1578.649972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.649972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.464730 (E_RNA)
where:
Base-Base interactions energy: -1019.407
where: short stacking energy: -501.101
Base-Backbone interact. energy: -1.983
local terms energy: -689.075248
where:
bonds (distance) C4'-P energy: -149.454
bonds (distance) P-C4' energy: -176.263
flat angles C4'-P-C4' energy: -141.374
flat angles P-C4'-P energy: -101.215
tors. eta vs tors. theta energy: -120.770
Dist. restrs. and SS energy: 131.815 (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: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -1692.751535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.751535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.372926 (E_RNA)
where:
Base-Base interactions energy: -1116.031
where: short stacking energy: -555.511
Base-Backbone interact. energy: -3.737
local terms energy: -706.604428
where:
bonds (distance) C4'-P energy: -162.701
bonds (distance) P-C4' energy: -148.408
flat angles C4'-P-C4' energy: -154.424
flat angles P-C4'-P energy: -103.414
tors. eta vs tors. theta energy: -137.658
Dist. restrs. and SS energy: 133.621 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -1569.274082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.274082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.439817 (E_RNA)
where:
Base-Base interactions energy: -1043.194
where: short stacking energy: -475.123
Base-Backbone interact. energy: -2.528
local terms energy: -635.718192
where:
bonds (distance) C4'-P energy: -147.417
bonds (distance) P-C4' energy: -158.668
flat angles C4'-P-C4' energy: -137.278
flat angles P-C4'-P energy: -78.802
tors. eta vs tors. theta energy: -113.554
Dist. restrs. and SS energy: 112.166 (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: 4
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -1570.467224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.467224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.133349 (E_RNA)
where:
Base-Base interactions energy: -1019.868
where: short stacking energy: -439.429
Base-Backbone interact. energy: -4.340
local terms energy: -647.925088
where:
bonds (distance) C4'-P energy: -157.897
bonds (distance) P-C4' energy: -148.871
flat angles C4'-P-C4' energy: -146.198
flat angles P-C4'-P energy: -109.241
tors. eta vs tors. theta energy: -85.719
Dist. restrs. and SS energy: 101.666 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -1547.282880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.282880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.301216 (E_RNA)
where:
Base-Base interactions energy: -1023.499
where: short stacking energy: -445.281
Base-Backbone interact. energy: -0.530
local terms energy: -602.272215
where:
bonds (distance) C4'-P energy: -133.188
bonds (distance) P-C4' energy: -158.103
flat angles C4'-P-C4' energy: -133.870
flat angles P-C4'-P energy: -77.941
tors. eta vs tors. theta energy: -99.171
Dist. restrs. and SS energy: 79.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -1614.050780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.050780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.731619 (E_RNA)
where:
Base-Base interactions energy: -1087.755
where: short stacking energy: -486.409
Base-Backbone interact. energy: -1.814
local terms energy: -596.163117
where:
bonds (distance) C4'-P energy: -131.978
bonds (distance) P-C4' energy: -135.662
flat angles C4'-P-C4' energy: -120.031
flat angles P-C4'-P energy: -97.941
tors. eta vs tors. theta energy: -110.551
Dist. restrs. and SS energy: 71.681 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -1253.882649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.882649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.237609 (E_RNA)
where:
Base-Base interactions energy: -816.321
where: short stacking energy: -345.665
Base-Backbone interact. energy: -2.357
local terms energy: -536.559456
where:
bonds (distance) C4'-P energy: -141.934
bonds (distance) P-C4' energy: -148.583
flat angles C4'-P-C4' energy: -123.121
flat angles P-C4'-P energy: -72.629
tors. eta vs tors. theta energy: -50.293
Dist. restrs. and SS energy: 101.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -1297.462055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.462055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.502758 (E_RNA)
where:
Base-Base interactions energy: -867.619
where: short stacking energy: -386.210
Base-Backbone interact. energy: -0.122
local terms energy: -514.762020
where:
bonds (distance) C4'-P energy: -137.401
bonds (distance) P-C4' energy: -126.766
flat angles C4'-P-C4' energy: -105.728
flat angles P-C4'-P energy: -88.365
tors. eta vs tors. theta energy: -56.502
Dist. restrs. and SS energy: 85.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -1166.199137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.199137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.554128 (E_RNA)
where:
Base-Base interactions energy: -774.286
where: short stacking energy: -328.486
Base-Backbone interact. energy: 10.123
local terms energy: -487.390919
where:
bonds (distance) C4'-P energy: -111.504
bonds (distance) P-C4' energy: -140.707
flat angles C4'-P-C4' energy: -115.240
flat angles P-C4'-P energy: -74.397
tors. eta vs tors. theta energy: -45.543
Dist. restrs. and SS energy: 85.355 (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: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -1945.619408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.619408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.622998 (E_RNA)
where:
Base-Base interactions energy: -1301.596
where: short stacking energy: -594.745
Base-Backbone interact. energy: -0.083
local terms energy: -733.944627
where:
bonds (distance) C4'-P energy: -163.338
bonds (distance) P-C4' energy: -155.216
flat angles C4'-P-C4' energy: -168.284
flat angles P-C4'-P energy: -99.945
tors. eta vs tors. theta energy: -147.162
Dist. restrs. and SS energy: 90.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -1889.342053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.342053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.382410 (E_RNA)
where:
Base-Base interactions energy: -1257.856
where: short stacking energy: -573.558
Base-Backbone interact. energy: -2.444
local terms energy: -711.082679
where:
bonds (distance) C4'-P energy: -150.227
bonds (distance) P-C4' energy: -161.726
flat angles C4'-P-C4' energy: -154.230
flat angles P-C4'-P energy: -103.543
tors. eta vs tors. theta energy: -141.357
Dist. restrs. and SS energy: 82.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -1659.802143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.802143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.916267 (E_RNA)
where:
Base-Base interactions energy: -1067.728
where: short stacking energy: -491.034
Base-Backbone interact. energy: 0.975
local terms energy: -674.163788
where:
bonds (distance) C4'-P energy: -134.458
bonds (distance) P-C4' energy: -159.942
flat angles C4'-P-C4' energy: -170.514
flat angles P-C4'-P energy: -84.546
tors. eta vs tors. theta energy: -124.703
Dist. restrs. and SS energy: 81.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -1811.534099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.534099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.143351 (E_RNA)
where:
Base-Base interactions energy: -1213.090
where: short stacking energy: -545.560
Base-Backbone interact. energy: -3.532
local terms energy: -658.521332
where:
bonds (distance) C4'-P energy: -138.257
bonds (distance) P-C4' energy: -129.923
flat angles C4'-P-C4' energy: -149.752
flat angles P-C4'-P energy: -96.118
tors. eta vs tors. theta energy: -144.472
Dist. restrs. and SS energy: 63.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -1743.242212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.242212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.677698 (E_RNA)
where:
Base-Base interactions energy: -1157.173
where: short stacking energy: -499.540
Base-Backbone interact. energy: -3.848
local terms energy: -643.656737
where:
bonds (distance) C4'-P energy: -148.713
bonds (distance) P-C4' energy: -140.882
flat angles C4'-P-C4' energy: -157.818
flat angles P-C4'-P energy: -81.989
tors. eta vs tors. theta energy: -114.256
Dist. restrs. and SS energy: 61.435 (S_DIST_RNA)
chem. 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: -1772.999053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.999053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.564257 (E_RNA)
where:
Base-Base interactions energy: -1194.806
where: short stacking energy: -483.446
Base-Backbone interact. energy: 2.885
local terms energy: -634.642690
where:
bonds (distance) C4'-P energy: -138.325
bonds (distance) P-C4' energy: -165.012
flat angles C4'-P-C4' energy: -130.312
flat angles P-C4'-P energy: -78.142
tors. eta vs tors. theta energy: -122.852
Dist. restrs. and SS energy: 53.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -1558.963847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.963847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.771635 (E_RNA)
where:
Base-Base interactions energy: -1045.814
where: short stacking energy: -462.160
Base-Backbone interact. energy: -2.826
local terms energy: -574.131754
where:
bonds (distance) C4'-P energy: -120.654
bonds (distance) P-C4' energy: -152.346
flat angles C4'-P-C4' energy: -132.825
flat angles P-C4'-P energy: -68.449
tors. eta vs tors. theta energy: -99.857
Dist. restrs. and SS energy: 63.808 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -1468.289362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.289362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.369521 (E_RNA)
where:
Base-Base interactions energy: -1001.510
where: short stacking energy: -433.318
Base-Backbone interact. energy: -1.269
local terms energy: -539.591293
where:
bonds (distance) C4'-P energy: -121.873
bonds (distance) P-C4' energy: -129.306
flat angles C4'-P-C4' energy: -131.844
flat angles P-C4'-P energy: -79.756
tors. eta vs tors. theta energy: -76.812
Dist. restrs. and SS energy: 74.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -1394.362090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.362090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.245041 (E_RNA)
where:
Base-Base interactions energy: -954.947
where: short stacking energy: -391.189
Base-Backbone interact. energy: 0.815
local terms energy: -508.112978
where:
bonds (distance) C4'-P energy: -120.687
bonds (distance) P-C4' energy: -120.047
flat angles C4'-P-C4' energy: -121.858
flat angles P-C4'-P energy: -68.828
tors. eta vs tors. theta energy: -76.693
Dist. restrs. and SS energy: 67.883 (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: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -1328.375189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.375189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.320165 (E_RNA)
where:
Base-Base interactions energy: -906.012
where: short stacking energy: -382.824
Base-Backbone interact. energy: 6.172
local terms energy: -494.480186
where:
bonds (distance) C4'-P energy: -121.967
bonds (distance) P-C4' energy: -120.195
flat angles C4'-P-C4' energy: -114.576
flat angles P-C4'-P energy: -77.044
tors. eta vs tors. theta energy: -60.698
Dist. restrs. and SS energy: 65.945 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -2041.637747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.637747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.857699 (E_RNA)
where:
Base-Base interactions energy: -1337.394
where: short stacking energy: -620.724
Base-Backbone interact. energy: 1.600
local terms energy: -765.063732
where:
bonds (distance) C4'-P energy: -160.061
bonds (distance) P-C4' energy: -172.400
flat angles C4'-P-C4' energy: -170.081
flat angles P-C4'-P energy: -103.442
tors. eta vs tors. theta energy: -159.079
Dist. restrs. and SS energy: 59.220 (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: 5
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -2023.513026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.513026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.382595 (E_RNA)
where:
Base-Base interactions energy: -1336.931
where: short stacking energy: -594.265
Base-Backbone interact. energy: -3.552
local terms energy: -743.899601
where:
bonds (distance) C4'-P energy: -148.002
bonds (distance) P-C4' energy: -161.348
flat angles C4'-P-C4' energy: -166.847
flat angles P-C4'-P energy: -101.301
tors. eta vs tors. theta energy: -166.400
Dist. restrs. and SS energy: 60.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -1978.681967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.681967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.748843 (E_RNA)
where:
Base-Base interactions energy: -1293.857
where: short stacking energy: -600.697
Base-Backbone interact. energy: -2.255
local terms energy: -737.637009
where:
bonds (distance) C4'-P energy: -162.912
bonds (distance) P-C4' energy: -167.790
flat angles C4'-P-C4' energy: -150.075
flat angles P-C4'-P energy: -99.474
tors. eta vs tors. theta energy: -157.385
Dist. restrs. and SS energy: 55.067 (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: 2
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -1746.220308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.220308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.877088 (E_RNA)
where:
Base-Base interactions energy: -1154.686
where: short stacking energy: -517.777
Base-Backbone interact. energy: -1.378
local terms energy: -656.813771
where:
bonds (distance) C4'-P energy: -146.133
bonds (distance) P-C4' energy: -145.173
flat angles C4'-P-C4' energy: -165.010
flat angles P-C4'-P energy: -74.101
tors. eta vs tors. theta energy: -126.397
Dist. restrs. and SS energy: 66.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -1938.285266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.285266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.389471 (E_RNA)
where:
Base-Base interactions energy: -1291.346
where: short stacking energy: -543.705
Base-Backbone interact. energy: -0.610
local terms energy: -688.433066
where:
bonds (distance) C4'-P energy: -146.525
bonds (distance) P-C4' energy: -153.180
flat angles C4'-P-C4' energy: -159.610
flat angles P-C4'-P energy: -86.616
tors. eta vs tors. theta energy: -142.503
Dist. restrs. and SS energy: 42.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -1823.648825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.648825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.184352 (E_RNA)
where:
Base-Base interactions energy: -1197.018
where: short stacking energy: -519.576
Base-Backbone interact. energy: -0.317
local terms energy: -675.849786
where:
bonds (distance) C4'-P energy: -145.399
bonds (distance) P-C4' energy: -141.355
flat angles C4'-P-C4' energy: -145.283
flat angles P-C4'-P energy: -92.034
tors. eta vs tors. theta energy: -151.779
Dist. restrs. and SS energy: 49.536 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -1732.927411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.927411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.541987 (E_RNA)
where:
Base-Base interactions energy: -1163.112
where: short stacking energy: -508.841
Base-Backbone interact. energy: 11.705
local terms energy: -621.135594
where:
bonds (distance) C4'-P energy: -121.527
bonds (distance) P-C4' energy: -152.411
flat angles C4'-P-C4' energy: -139.282
flat angles P-C4'-P energy: -85.495
tors. eta vs tors. theta energy: -122.421
Dist. restrs. and SS energy: 39.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -1612.632652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.632652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.743056 (E_RNA)
where:
Base-Base interactions energy: -1070.037
where: short stacking energy: -446.286
Base-Backbone interact. energy: -2.113
local terms energy: -589.593007
where:
bonds (distance) C4'-P energy: -129.573
bonds (distance) P-C4' energy: -145.949
flat angles C4'-P-C4' energy: -150.742
flat angles P-C4'-P energy: -77.763
tors. eta vs tors. theta energy: -85.567
Dist. restrs. and SS energy: 49.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -1502.230015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.230015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.127789 (E_RNA)
where:
Base-Base interactions energy: -993.027
where: short stacking energy: -425.835
Base-Backbone interact. energy: -0.960
local terms energy: -551.140179
where:
bonds (distance) C4'-P energy: -138.816
bonds (distance) P-C4' energy: -136.527
flat angles C4'-P-C4' energy: -127.212
flat angles P-C4'-P energy: -64.799
tors. eta vs tors. theta energy: -83.786
Dist. restrs. and SS energy: 42.898 (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: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -1497.063250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.063250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.137876 (E_RNA)
where:
Base-Base interactions energy: -1027.110
where: short stacking energy: -407.950
Base-Backbone interact. energy: 2.878
local terms energy: -527.906129
where:
bonds (distance) C4'-P energy: -123.464
bonds (distance) P-C4' energy: -148.978
flat angles C4'-P-C4' energy: -118.367
flat angles P-C4'-P energy: -60.999
tors. eta vs tors. theta energy: -76.098
Dist. restrs. and SS energy: 55.075 (S_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: 7
Temperature: 0.900000
Total energy: -2109.825650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.825650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.117097 (E_RNA)
where:
Base-Base interactions energy: -1416.583
where: short stacking energy: -635.431
Base-Backbone interact. energy: 2.464
local terms energy: -742.997987
where:
bonds (distance) C4'-P energy: -169.354
bonds (distance) P-C4' energy: -158.319
flat angles C4'-P-C4' energy: -164.106
flat angles P-C4'-P energy: -93.994
tors. eta vs tors. theta energy: -157.225
Dist. restrs. and SS energy: 47.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -2110.593681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.593681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.376670 (E_RNA)
where:
Base-Base interactions energy: -1392.748
where: short stacking energy: -625.878
Base-Backbone interact. energy: -4.695
local terms energy: -758.934282
where:
bonds (distance) C4'-P energy: -153.191
bonds (distance) P-C4' energy: -167.465
flat angles C4'-P-C4' energy: -171.151
flat angles P-C4'-P energy: -93.452
tors. eta vs tors. theta energy: -173.675
Dist. restrs. and SS energy: 45.783 (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: 5
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -2028.892969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.892969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.761203 (E_RNA)
where:
Base-Base interactions energy: -1349.598
where: short stacking energy: -630.097
Base-Backbone interact. energy: 2.708
local terms energy: -741.870838
where:
bonds (distance) C4'-P energy: -152.826
bonds (distance) P-C4' energy: -155.595
flat angles C4'-P-C4' energy: -169.262
flat angles P-C4'-P energy: -108.029
tors. eta vs tors. theta energy: -156.159
Dist. restrs. and SS energy: 59.868 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -2034.920297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.920297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.672190 (E_RNA)
where:
Base-Base interactions energy: -1355.292
where: short stacking energy: -628.299
Base-Backbone interact. energy: 0.339
local terms energy: -705.719033
where:
bonds (distance) C4'-P energy: -156.098
bonds (distance) P-C4' energy: -143.870
flat angles C4'-P-C4' energy: -166.112
flat angles P-C4'-P energy: -89.429
tors. eta vs tors. theta energy: -150.210
Dist. restrs. and SS energy: 25.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -1734.268758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.268758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.879322 (E_RNA)
where:
Base-Base interactions energy: -1151.798
where: short stacking energy: -510.267
Base-Backbone interact. energy: -1.608
local terms energy: -632.473380
where:
bonds (distance) C4'-P energy: -142.009
bonds (distance) P-C4' energy: -143.272
flat angles C4'-P-C4' energy: -140.428
flat angles P-C4'-P energy: -73.285
tors. eta vs tors. theta energy: -133.480
Dist. restrs. and SS energy: 51.611 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -1849.400985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.400985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.696607 (E_RNA)
where:
Base-Base interactions energy: -1210.147
where: short stacking energy: -550.246
Base-Backbone interact. energy: -1.093
local terms energy: -671.456113
where:
bonds (distance) C4'-P energy: -140.514
bonds (distance) P-C4' energy: -141.013
flat angles C4'-P-C4' energy: -155.181
flat angles P-C4'-P energy: -94.499
tors. eta vs tors. theta energy: -140.250
Dist. restrs. and SS energy: 33.296 (S_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: 7
Temperature: 1.200000
Total energy: -1795.107994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.107994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.451068 (E_RNA)
where:
Base-Base interactions energy: -1192.895
where: short stacking energy: -518.650
Base-Backbone interact. energy: -0.185
local terms energy: -644.371266
where:
bonds (distance) C4'-P energy: -136.045
bonds (distance) P-C4' energy: -155.806
flat angles C4'-P-C4' energy: -140.089
flat angles P-C4'-P energy: -79.091
tors. eta vs tors. theta energy: -133.340
Dist. restrs. and SS energy: 42.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -1656.790835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.790835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.898054 (E_RNA)
where:
Base-Base interactions energy: -1067.649
where: short stacking energy: -467.860
Base-Backbone interact. energy: 1.840
local terms energy: -626.089023
where:
bonds (distance) C4'-P energy: -147.498
bonds (distance) P-C4' energy: -128.148
flat angles C4'-P-C4' energy: -140.793
flat angles P-C4'-P energy: -84.362
tors. eta vs tors. theta energy: -125.287
Dist. restrs. and SS energy: 35.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -1509.629135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.629135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.151152 (E_RNA)
where:
Base-Base interactions energy: -999.944
where: short stacking energy: -435.210
Base-Backbone interact. energy: 2.432
local terms energy: -549.639235
where:
bonds (distance) C4'-P energy: -120.772
bonds (distance) P-C4' energy: -149.197
flat angles C4'-P-C4' energy: -110.880
flat angles P-C4'-P energy: -81.035
tors. eta vs tors. theta energy: -87.755
Dist. restrs. and SS energy: 37.522 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -1562.693346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.693346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.574671 (E_RNA)
where:
Base-Base interactions energy: -1050.138
where: short stacking energy: -461.585
Base-Backbone interact. energy: 2.649
local terms energy: -559.085664
where:
bonds (distance) C4'-P energy: -118.017
bonds (distance) P-C4' energy: -130.668
flat angles C4'-P-C4' energy: -119.559
flat angles P-C4'-P energy: -77.264
tors. eta vs tors. theta energy: -113.577
Dist. restrs. and SS energy: 43.881 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -2228.533559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.533559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.652456 (E_RNA)
where:
Base-Base interactions energy: -1481.487
where: short stacking energy: -647.728
Base-Backbone interact. energy: -1.157
local terms energy: -788.008679
where:
bonds (distance) C4'-P energy: -168.428
bonds (distance) P-C4' energy: -167.803
flat angles C4'-P-C4' energy: -169.406
flat angles P-C4'-P energy: -100.910
tors. eta vs tors. theta energy: -181.462
Dist. restrs. and SS energy: 42.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -2106.718592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.718592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.718403 (E_RNA)
where:
Base-Base interactions energy: -1390.075
where: short stacking energy: -634.074
Base-Backbone interact. energy: 0.751
local terms energy: -758.394173
where:
bonds (distance) C4'-P energy: -161.724
bonds (distance) P-C4' energy: -161.618
flat angles C4'-P-C4' energy: -170.893
flat angles P-C4'-P energy: -102.930
tors. eta vs tors. theta energy: -161.228
Dist. restrs. and SS energy: 41.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -2180.687025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.687025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.616801 (E_RNA)
where:
Base-Base interactions energy: -1417.390
where: short stacking energy: -623.086
Base-Backbone interact. energy: -1.151
local terms energy: -777.075785
where:
bonds (distance) C4'-P energy: -148.171
bonds (distance) P-C4' energy: -168.225
flat angles C4'-P-C4' energy: -177.009
flat angles P-C4'-P energy: -115.578
tors. eta vs tors. theta energy: -168.092
Dist. restrs. and SS energy: 14.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -1960.168875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.168875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.587142 (E_RNA)
where:
Base-Base interactions energy: -1312.119
where: short stacking energy: -592.803
Base-Backbone interact. energy: -3.338
local terms energy: -686.129666
where:
bonds (distance) C4'-P energy: -146.547
bonds (distance) P-C4' energy: -148.942
flat angles C4'-P-C4' energy: -143.097
flat angles P-C4'-P energy: -90.113
tors. eta vs tors. theta energy: -157.431
Dist. restrs. and SS energy: 41.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -1929.763745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.763745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.482230 (E_RNA)
where:
Base-Base interactions energy: -1290.950
where: short stacking energy: -570.927
Base-Backbone interact. energy: -0.955
local terms energy: -660.577602
where:
bonds (distance) C4'-P energy: -143.680
bonds (distance) P-C4' energy: -152.850
flat angles C4'-P-C4' energy: -131.461
flat angles P-C4'-P energy: -80.516
tors. eta vs tors. theta energy: -152.072
Dist. restrs. and SS energy: 22.718 (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: 2
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -1697.523584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.523584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.219072 (E_RNA)
where:
Base-Base interactions energy: -1121.583
where: short stacking energy: -466.564
Base-Backbone interact. energy: 0.968
local terms energy: -626.604090
where:
bonds (distance) C4'-P energy: -138.719
bonds (distance) P-C4' energy: -140.883
flat angles C4'-P-C4' energy: -147.942
flat angles P-C4'-P energy: -97.551
tors. eta vs tors. theta energy: -101.509
Dist. restrs. and SS energy: 49.695 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -1826.671533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.671533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.248893 (E_RNA)
where:
Base-Base interactions energy: -1209.112
where: short stacking energy: -525.596
Base-Backbone interact. energy: 1.108
local terms energy: -647.244685
where:
bonds (distance) C4'-P energy: -118.092
bonds (distance) P-C4' energy: -148.453
flat angles C4'-P-C4' energy: -148.246
flat angles P-C4'-P energy: -95.314
tors. eta vs tors. theta energy: -137.138
Dist. restrs. and SS energy: 28.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -1697.841512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.841512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.660126 (E_RNA)
where:
Base-Base interactions energy: -1142.938
where: short stacking energy: -499.984
Base-Backbone interact. energy: -1.233
local terms energy: -576.488781
where:
bonds (distance) C4'-P energy: -121.393
bonds (distance) P-C4' energy: -132.059
flat angles C4'-P-C4' energy: -138.490
flat angles P-C4'-P energy: -71.054
tors. eta vs tors. theta energy: -113.493
Dist. restrs. and SS energy: 22.819 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -1690.471464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.471464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.721695 (E_RNA)
where:
Base-Base interactions energy: -1151.892
where: short stacking energy: -474.017
Base-Backbone interact. energy: 1.025
local terms energy: -562.855138
where:
bonds (distance) C4'-P energy: -139.967
bonds (distance) P-C4' energy: -134.784
flat angles C4'-P-C4' energy: -135.262
flat angles P-C4'-P energy: -40.830
tors. eta vs tors. theta energy: -112.012
Dist. restrs. and SS energy: 23.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -1500.506702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.506702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.868811 (E_RNA)
where:
Base-Base interactions energy: -1015.117
where: short stacking energy: -421.901
Base-Backbone interact. energy: 4.499
local terms energy: -523.251089
where:
bonds (distance) C4'-P energy: -103.815
bonds (distance) P-C4' energy: -127.905
flat angles C4'-P-C4' energy: -116.850
flat angles P-C4'-P energy: -90.286
tors. eta vs tors. theta energy: -84.395
Dist. restrs. and SS energy: 33.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -2273.589730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.589730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.714297 (E_RNA)
where:
Base-Base interactions energy: -1520.400
where: short stacking energy: -702.996
Base-Backbone interact. energy: -1.555
local terms energy: -792.759017
where:
bonds (distance) C4'-P energy: -154.215
bonds (distance) P-C4' energy: -160.411
flat angles C4'-P-C4' energy: -183.538
flat angles P-C4'-P energy: -110.933
tors. eta vs tors. theta energy: -183.663
Dist. restrs. and SS energy: 41.125 (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: 4
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -2255.869813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.869813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.360599 (E_RNA)
where:
Base-Base interactions energy: -1492.839
where: short stacking energy: -686.756
Base-Backbone interact. energy: -2.543
local terms energy: -766.978868
where:
bonds (distance) C4'-P energy: -159.483
bonds (distance) P-C4' energy: -154.215
flat angles C4'-P-C4' energy: -171.721
flat angles P-C4'-P energy: -108.458
tors. eta vs tors. theta energy: -173.102
Dist. restrs. and SS energy: 6.491 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -2045.021001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.021001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.413429 (E_RNA)
where:
Base-Base interactions energy: -1367.896
where: short stacking energy: -619.889
Base-Backbone interact. energy: -4.021
local terms energy: -708.495761
where:
bonds (distance) C4'-P energy: -155.491
bonds (distance) P-C4' energy: -159.172
flat angles C4'-P-C4' energy: -156.407
flat angles P-C4'-P energy: -94.378
tors. eta vs tors. theta energy: -143.047
Dist. restrs. and SS energy: 35.392 (S_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: 9
Temperature: 1.050000
Total energy: -1968.508261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.508261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.515428 (E_RNA)
where:
Base-Base interactions energy: -1307.344
where: short stacking energy: -591.122
Base-Backbone interact. energy: 1.295
local terms energy: -715.467013
where:
bonds (distance) C4'-P energy: -141.020
bonds (distance) P-C4' energy: -151.421
flat angles C4'-P-C4' energy: -161.574
flat angles P-C4'-P energy: -100.006
tors. eta vs tors. theta energy: -161.447
Dist. restrs. and SS energy: 53.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -2014.365033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.365033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.710195 (E_RNA)
where:
Base-Base interactions energy: -1358.104
where: short stacking energy: -581.876
Base-Backbone interact. energy: -2.172
local terms energy: -675.433757
where:
bonds (distance) C4'-P energy: -137.399
bonds (distance) P-C4' energy: -146.880
flat angles C4'-P-C4' energy: -158.967
flat angles P-C4'-P energy: -95.630
tors. eta vs tors. theta energy: -136.557
Dist. restrs. and SS energy: 21.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -1977.811313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.811313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.552178 (E_RNA)
where:
Base-Base interactions energy: -1319.620
where: short stacking energy: -559.444
Base-Backbone interact. energy: -1.002
local terms energy: -675.930453
where:
bonds (distance) C4'-P energy: -133.233
bonds (distance) P-C4' energy: -143.918
flat angles C4'-P-C4' energy: -157.255
flat angles P-C4'-P energy: -88.971
tors. eta vs tors. theta energy: -152.554
Dist. restrs. and SS energy: 18.741 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -1687.948090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.948090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.022414 (E_RNA)
where:
Base-Base interactions energy: -1127.547
where: short stacking energy: -517.132
Base-Backbone interact. energy: 3.271
local terms energy: -609.746443
where:
bonds (distance) C4'-P energy: -129.041
bonds (distance) P-C4' energy: -134.125
flat angles C4'-P-C4' energy: -141.185
flat angles P-C4'-P energy: -85.031
tors. eta vs tors. theta energy: -120.364
Dist. restrs. and SS energy: 46.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -1780.400483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.400483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.341899 (E_RNA)
where:
Base-Base interactions energy: -1196.194
where: short stacking energy: -517.151
Base-Backbone interact. energy: -0.809
local terms energy: -605.338649
where:
bonds (distance) C4'-P energy: -113.448
bonds (distance) P-C4' energy: -148.354
flat angles C4'-P-C4' energy: -149.470
flat angles P-C4'-P energy: -76.727
tors. eta vs tors. theta energy: -117.340
Dist. restrs. and SS energy: 21.941 (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: 6
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -1679.016707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.016707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.277939 (E_RNA)
where:
Base-Base interactions energy: -1146.289
where: short stacking energy: -485.432
Base-Backbone interact. energy: -0.713
local terms energy: -561.276476
where:
bonds (distance) C4'-P energy: -120.662
bonds (distance) P-C4' energy: -139.290
flat angles C4'-P-C4' energy: -132.903
flat angles P-C4'-P energy: -54.021
tors. eta vs tors. theta energy: -114.402
Dist. restrs. and SS energy: 29.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -1522.264846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.264846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.900589 (E_RNA)
where:
Base-Base interactions energy: -1015.637
where: short stacking energy: -431.810
Base-Backbone interact. energy: 0.651
local terms energy: -538.914310
where:
bonds (distance) C4'-P energy: -117.724
bonds (distance) P-C4' energy: -140.124
flat angles C4'-P-C4' energy: -115.780
flat angles P-C4'-P energy: -85.668
tors. eta vs tors. theta energy: -79.619
Dist. restrs. and SS energy: 31.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -2303.800643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.800643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.626183 (E_RNA)
where:
Base-Base interactions energy: -1530.037
where: short stacking energy: -722.722
Base-Backbone interact. energy: -3.125
local terms energy: -814.463773
where:
bonds (distance) C4'-P energy: -167.468
bonds (distance) P-C4' energy: -166.227
flat angles C4'-P-C4' energy: -173.992
flat angles P-C4'-P energy: -111.858
tors. eta vs tors. theta energy: -194.919
Dist. restrs. and SS energy: 43.826 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -2331.678060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.678060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.754431 (E_RNA)
where:
Base-Base interactions energy: -1556.005
where: short stacking energy: -716.142
Base-Backbone interact. energy: -2.444
local terms energy: -778.304908
where:
bonds (distance) C4'-P energy: -148.037
bonds (distance) P-C4' energy: -156.133
flat angles C4'-P-C4' energy: -171.111
flat angles P-C4'-P energy: -116.112
tors. eta vs tors. theta energy: -186.912
Dist. restrs. and SS energy: 5.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -2116.996704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.996704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.025880 (E_RNA)
where:
Base-Base interactions energy: -1395.360
where: short stacking energy: -629.685
Base-Backbone interact. energy: 2.763
local terms energy: -748.429037
where:
bonds (distance) C4'-P energy: -158.771
bonds (distance) P-C4' energy: -154.748
flat angles C4'-P-C4' energy: -163.738
flat angles P-C4'-P energy: -113.350
tors. eta vs tors. theta energy: -157.822
Dist. restrs. and SS energy: 24.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -2025.540646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.540646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.104746 (E_RNA)
where:
Base-Base interactions energy: -1340.536
where: short stacking energy: -619.319
Base-Backbone interact. energy: 1.212
local terms energy: -715.781259
where:
bonds (distance) C4'-P energy: -157.492
bonds (distance) P-C4' energy: -163.905
flat angles C4'-P-C4' energy: -163.075
flat angles P-C4'-P energy: -79.233
tors. eta vs tors. theta energy: -152.077
Dist. restrs. and SS energy: 29.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -2051.103633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.103633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.588417 (E_RNA)
where:
Base-Base interactions energy: -1406.977
where: short stacking energy: -626.422
Base-Backbone interact. energy: 7.560
local terms energy: -678.171240
where:
bonds (distance) C4'-P energy: -128.846
bonds (distance) P-C4' energy: -144.648
flat angles C4'-P-C4' energy: -156.495
flat angles P-C4'-P energy: -84.551
tors. eta vs tors. theta energy: -163.631
Dist. restrs. and SS energy: 26.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -2002.994080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.994080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.229347 (E_RNA)
where:
Base-Base interactions energy: -1339.101
where: short stacking energy: -560.867
Base-Backbone interact. energy: -2.472
local terms energy: -668.656864
where:
bonds (distance) C4'-P energy: -135.794
bonds (distance) P-C4' energy: -155.460
flat angles C4'-P-C4' energy: -143.324
flat angles P-C4'-P energy: -96.773
tors. eta vs tors. theta energy: -137.306
Dist. restrs. and SS energy: 7.235 (S_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: -1845.272345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.272345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.854847 (E_RNA)
where:
Base-Base interactions energy: -1220.625
where: short stacking energy: -534.327
Base-Backbone interact. energy: -1.363
local terms energy: -637.866130
where:
bonds (distance) C4'-P energy: -148.751
bonds (distance) P-C4' energy: -121.635
flat angles C4'-P-C4' energy: -148.728
flat angles P-C4'-P energy: -90.723
tors. eta vs tors. theta energy: -128.030
Dist. restrs. and SS energy: 14.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -1682.629299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.629299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.849846 (E_RNA)
where:
Base-Base interactions energy: -1154.212
where: short stacking energy: -456.504
Base-Backbone interact. energy: 0.340
local terms energy: -555.977392
where:
bonds (distance) C4'-P energy: -133.310
bonds (distance) P-C4' energy: -137.757
flat angles C4'-P-C4' energy: -134.133
flat angles P-C4'-P energy: -60.815
tors. eta vs tors. theta energy: -89.962
Dist. restrs. and SS energy: 27.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -1849.516392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.516392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.048442 (E_RNA)
where:
Base-Base interactions energy: -1204.246
where: short stacking energy: -506.785
Base-Backbone interact. energy: -2.737
local terms energy: -659.065512
where:
bonds (distance) C4'-P energy: -138.610
bonds (distance) P-C4' energy: -151.358
flat angles C4'-P-C4' energy: -151.335
flat angles P-C4'-P energy: -77.333
tors. eta vs tors. theta energy: -140.429
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: 10, replica: 8
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -1591.113400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.113400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.601790 (E_RNA)
where:
Base-Base interactions energy: -1064.307
where: short stacking energy: -455.558
Base-Backbone interact. energy: -2.179
local terms energy: -563.115747
where:
bonds (distance) C4'-P energy: -129.483
bonds (distance) P-C4' energy: -135.116
flat angles C4'-P-C4' energy: -123.065
flat angles P-C4'-P energy: -76.147
tors. eta vs tors. theta energy: -99.305
Dist. restrs. and SS energy: 38.488 (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: 11
Temperature: 0.900000
Total energy: -2296.251598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.251598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.959042 (E_RNA)
where:
Base-Base interactions energy: -1527.257
where: short stacking energy: -697.956
Base-Backbone interact. energy: -2.656
local terms energy: -806.045493
where:
bonds (distance) C4'-P energy: -163.965
bonds (distance) P-C4' energy: -163.482
flat angles C4'-P-C4' energy: -175.753
flat angles P-C4'-P energy: -116.763
tors. eta vs tors. theta energy: -186.083
Dist. restrs. and SS energy: 39.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -2328.594193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.594193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.559279 (E_RNA)
where:
Base-Base interactions energy: -1551.233
where: short stacking energy: -730.013
Base-Backbone interact. energy: -1.806
local terms energy: -780.520724
where:
bonds (distance) C4'-P energy: -137.938
bonds (distance) P-C4' energy: -169.702
flat angles C4'-P-C4' energy: -182.132
flat angles P-C4'-P energy: -96.632
tors. eta vs tors. theta energy: -194.116
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: 3, replica: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -2101.753987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.753987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.862338 (E_RNA)
where:
Base-Base interactions energy: -1378.351
where: short stacking energy: -640.080
Base-Backbone interact. energy: 8.796
local terms energy: -757.307111
where:
bonds (distance) C4'-P energy: -150.303
bonds (distance) P-C4' energy: -170.765
flat angles C4'-P-C4' energy: -159.379
flat angles P-C4'-P energy: -118.112
tors. eta vs tors. theta energy: -158.748
Dist. restrs. and SS energy: 25.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -2154.726375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.726375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.038596 (E_RNA)
where:
Base-Base interactions energy: -1453.880
where: short stacking energy: -629.021
Base-Backbone interact. energy: -1.295
local terms energy: -716.863388
where:
bonds (distance) C4'-P energy: -130.738
bonds (distance) P-C4' energy: -148.693
flat angles C4'-P-C4' energy: -166.813
flat angles P-C4'-P energy: -109.452
tors. eta vs tors. theta energy: -161.168
Dist. restrs. and SS energy: 17.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -1990.135412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.135412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.246611 (E_RNA)
where:
Base-Base interactions energy: -1333.816
where: short stacking energy: -597.590
Base-Backbone interact. energy: -1.547
local terms energy: -686.883837
where:
bonds (distance) C4'-P energy: -148.472
bonds (distance) P-C4' energy: -154.553
flat angles C4'-P-C4' energy: -147.329
flat angles P-C4'-P energy: -96.766
tors. eta vs tors. theta energy: -139.764
Dist. restrs. and SS energy: 32.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -2034.759061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.759061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.127384 (E_RNA)
where:
Base-Base interactions energy: -1349.428
where: short stacking energy: -594.015
Base-Backbone interact. energy: -1.640
local terms energy: -695.059426
where:
bonds (distance) C4'-P energy: -127.247
bonds (distance) P-C4' energy: -138.474
flat angles C4'-P-C4' energy: -165.261
flat angles P-C4'-P energy: -101.323
tors. eta vs tors. theta energy: -162.754
Dist. restrs. and SS energy: 11.368 (S_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: -1876.289132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.289132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.009202 (E_RNA)
where:
Base-Base interactions energy: -1253.454
where: short stacking energy: -544.139
Base-Backbone interact. energy: -0.322
local terms energy: -633.232463
where:
bonds (distance) C4'-P energy: -121.221
bonds (distance) P-C4' energy: -142.213
flat angles C4'-P-C4' energy: -143.006
flat angles P-C4'-P energy: -95.518
tors. eta vs tors. theta energy: -131.275
Dist. restrs. and SS energy: 10.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -1864.915506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.915506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.958979 (E_RNA)
where:
Base-Base interactions energy: -1250.314
where: short stacking energy: -541.570
Base-Backbone interact. energy: 2.779
local terms energy: -634.423982
where:
bonds (distance) C4'-P energy: -125.344
bonds (distance) P-C4' energy: -125.357
flat angles C4'-P-C4' energy: -146.667
flat angles P-C4'-P energy: -98.185
tors. eta vs tors. theta energy: -138.871
Dist. restrs. and SS energy: 17.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -1720.555769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.555769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.332417 (E_RNA)
where:
Base-Base interactions energy: -1154.477
where: short stacking energy: -498.207
Base-Backbone interact. energy: 8.416
local terms energy: -593.271585
where:
bonds (distance) C4'-P energy: -129.498
bonds (distance) P-C4' energy: -118.447
flat angles C4'-P-C4' energy: -133.951
flat angles P-C4'-P energy: -102.320
tors. eta vs tors. theta energy: -109.056
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: 10, replica: 8
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -1595.026542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.026542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.489331 (E_RNA)
where:
Base-Base interactions energy: -1082.721
where: short stacking energy: -452.079
Base-Backbone interact. energy: 1.613
local terms energy: -543.381320
where:
bonds (distance) C4'-P energy: -122.401
bonds (distance) P-C4' energy: -116.949
flat angles C4'-P-C4' energy: -128.045
flat angles P-C4'-P energy: -81.907
tors. eta vs tors. theta energy: -94.080
Dist. restrs. and SS energy: 29.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -2409.825127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.825127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.661341 (E_RNA)
where:
Base-Base interactions energy: -1585.958
where: short stacking energy: -746.408
Base-Backbone interact. energy: -1.372
local terms energy: -828.331050
where:
bonds (distance) C4'-P energy: -164.895
bonds (distance) P-C4' energy: -172.185
flat angles C4'-P-C4' energy: -179.189
flat angles P-C4'-P energy: -111.629
tors. eta vs tors. theta energy: -200.433
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: 2, replica: 3
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -2232.987104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.987104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.151625 (E_RNA)
where:
Base-Base interactions energy: -1491.354
where: short stacking energy: -667.286
Base-Backbone interact. energy: -2.602
local terms energy: -774.195805
where:
bonds (distance) C4'-P energy: -160.419
bonds (distance) P-C4' energy: -159.229
flat angles C4'-P-C4' energy: -164.659
flat angles P-C4'-P energy: -113.253
tors. eta vs tors. theta energy: -176.635
Dist. restrs. and SS energy: 35.165 (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: 9
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -2265.460272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.460272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.813778 (E_RNA)
where:
Base-Base interactions energy: -1536.729
where: short stacking energy: -691.711
Base-Backbone interact. energy: -1.796
local terms energy: -736.289049
where:
bonds (distance) C4'-P energy: -141.002
bonds (distance) P-C4' energy: -138.779
flat angles C4'-P-C4' energy: -181.709
flat angles P-C4'-P energy: -89.280
tors. eta vs tors. theta energy: -185.520
Dist. restrs. and SS energy: 9.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -2079.746046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.746046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.921998 (E_RNA)
where:
Base-Base interactions energy: -1355.062
where: short stacking energy: -613.842
Base-Backbone interact. energy: -0.938
local terms energy: -743.921484
where:
bonds (distance) C4'-P energy: -139.789
bonds (distance) P-C4' energy: -162.298
flat angles C4'-P-C4' energy: -170.594
flat angles P-C4'-P energy: -101.709
tors. eta vs tors. theta energy: -169.531
Dist. restrs. and SS energy: 20.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -2078.218198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.218198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.075491 (E_RNA)
where:
Base-Base interactions energy: -1348.535
where: short stacking energy: -584.749
Base-Backbone interact. energy: -3.697
local terms energy: -739.843505
where:
bonds (distance) C4'-P energy: -160.915
bonds (distance) P-C4' energy: -156.159
flat angles C4'-P-C4' energy: -164.051
flat angles P-C4'-P energy: -97.953
tors. eta vs tors. theta energy: -160.766
Dist. restrs. and SS energy: 13.857 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -1899.180166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.180166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.848173 (E_RNA)
where:
Base-Base interactions energy: -1281.034
where: short stacking energy: -572.155
Base-Backbone interact. energy: -0.859
local terms energy: -653.956071
where:
bonds (distance) C4'-P energy: -129.161
bonds (distance) P-C4' energy: -151.307
flat angles C4'-P-C4' energy: -141.054
flat angles P-C4'-P energy: -86.684
tors. eta vs tors. theta energy: -145.749
Dist. restrs. and SS energy: 36.668 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -1967.057850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.057850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.977948 (E_RNA)
where:
Base-Base interactions energy: -1319.490
where: short stacking energy: -557.101
Base-Backbone interact. energy: -1.352
local terms energy: -656.135945
where:
bonds (distance) C4'-P energy: -137.895
bonds (distance) P-C4' energy: -140.756
flat angles C4'-P-C4' energy: -158.333
flat angles P-C4'-P energy: -90.776
tors. eta vs tors. theta energy: -128.375
Dist. restrs. and SS energy: 9.920 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -1840.572407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.572407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.919788 (E_RNA)
where:
Base-Base interactions energy: -1242.491
where: short stacking energy: -535.337
Base-Backbone interact. energy: -0.980
local terms energy: -611.449088
where:
bonds (distance) C4'-P energy: -136.210
bonds (distance) P-C4' energy: -151.684
flat angles C4'-P-C4' energy: -123.954
flat angles P-C4'-P energy: -72.730
tors. eta vs tors. theta energy: -126.871
Dist. restrs. and SS energy: 14.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -1747.256056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.256056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.152955 (E_RNA)
where:
Base-Base interactions energy: -1191.290
where: short stacking energy: -494.596
Base-Backbone interact. energy: 3.175
local terms energy: -576.038368
where:
bonds (distance) C4'-P energy: -124.893
bonds (distance) P-C4' energy: -140.836
flat angles C4'-P-C4' energy: -116.170
flat angles P-C4'-P energy: -71.153
tors. eta vs tors. theta energy: -122.987
Dist. restrs. and SS energy: 16.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -1589.216282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.216282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.835033 (E_RNA)
where:
Base-Base interactions energy: -1074.769
where: short stacking energy: -444.930
Base-Backbone interact. energy: 3.087
local terms energy: -538.152749
where:
bonds (distance) C4'-P energy: -110.341
bonds (distance) P-C4' energy: -134.761
flat angles C4'-P-C4' energy: -124.778
flat angles P-C4'-P energy: -73.926
tors. eta vs tors. theta energy: -94.347
Dist. restrs. and SS energy: 20.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -2454.813883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.813883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.671739 (E_RNA)
where:
Base-Base interactions energy: -1644.577
where: short stacking energy: -745.616
Base-Backbone interact. energy: -1.875
local terms energy: -812.220519
where:
bonds (distance) C4'-P energy: -163.655
bonds (distance) P-C4' energy: -166.366
flat angles C4'-P-C4' energy: -172.012
flat angles P-C4'-P energy: -116.241
tors. eta vs tors. theta energy: -193.947
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: 2, replica: 9
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -2315.671331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.671331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.163627 (E_RNA)
where:
Base-Base interactions energy: -1545.478
where: short stacking energy: -699.717
Base-Backbone interact. energy: -4.581
local terms energy: -785.104483
where:
bonds (distance) C4'-P energy: -163.491
bonds (distance) P-C4' energy: -147.740
flat angles C4'-P-C4' energy: -169.270
flat angles P-C4'-P energy: -108.278
tors. eta vs tors. theta energy: -196.325
Dist. restrs. and SS energy: 19.492 (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: 3
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -2155.315983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.315983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.714916 (E_RNA)
where:
Base-Base interactions energy: -1397.244
where: short stacking energy: -659.293
Base-Backbone interact. energy: -0.979
local terms energy: -790.491403
where:
bonds (distance) C4'-P energy: -150.888
bonds (distance) P-C4' energy: -151.277
flat angles C4'-P-C4' energy: -185.902
flat angles P-C4'-P energy: -106.336
tors. eta vs tors. theta energy: -196.089
Dist. restrs. and SS energy: 33.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -2246.985290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.985290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.053931 (E_RNA)
where:
Base-Base interactions energy: -1519.977
where: short stacking energy: -672.029
Base-Backbone interact. energy: 1.243
local terms energy: -733.320596
where:
bonds (distance) C4'-P energy: -152.456
bonds (distance) P-C4' energy: -140.468
flat angles C4'-P-C4' energy: -160.037
flat angles P-C4'-P energy: -97.182
tors. eta vs tors. theta energy: -183.177
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: 5, replica: 1
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -2064.316206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.316206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.855254 (E_RNA)
where:
Base-Base interactions energy: -1379.090
where: short stacking energy: -606.663
Base-Backbone interact. energy: -0.456
local terms energy: -692.308855
where:
bonds (distance) C4'-P energy: -140.398
bonds (distance) P-C4' energy: -149.485
flat angles C4'-P-C4' energy: -157.223
flat angles P-C4'-P energy: -88.881
tors. eta vs tors. theta energy: -156.322
Dist. restrs. and SS energy: 7.539 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -2027.557720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.557720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.962277 (E_RNA)
where:
Base-Base interactions energy: -1349.585
where: short stacking energy: -581.012
Base-Backbone interact. energy: 0.842
local terms energy: -687.218503
where:
bonds (distance) C4'-P energy: -140.879
bonds (distance) P-C4' energy: -147.639
flat angles C4'-P-C4' energy: -148.435
flat angles P-C4'-P energy: -108.554
tors. eta vs tors. theta energy: -141.712
Dist. restrs. and SS energy: 8.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -1810.204064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.204064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.358435 (E_RNA)
where:
Base-Base interactions energy: -1195.629
where: short stacking energy: -515.250
Base-Backbone interact. energy: -1.836
local terms energy: -651.892890
where:
bonds (distance) C4'-P energy: -125.207
bonds (distance) P-C4' energy: -147.162
flat angles C4'-P-C4' energy: -147.508
flat angles P-C4'-P energy: -92.801
tors. eta vs tors. theta energy: -139.215
Dist. restrs. and SS energy: 39.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -1851.383647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.383647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.175833 (E_RNA)
where:
Base-Base interactions energy: -1225.994
where: short stacking energy: -547.893
Base-Backbone interact. energy: -1.628
local terms energy: -633.553907
where:
bonds (distance) C4'-P energy: -139.166
bonds (distance) P-C4' energy: -155.302
flat angles C4'-P-C4' energy: -138.459
flat angles P-C4'-P energy: -69.600
tors. eta vs tors. theta energy: -131.027
Dist. restrs. and SS energy: 9.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -1750.003167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.003167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.758213 (E_RNA)
where:
Base-Base interactions energy: -1204.016
where: short stacking energy: -490.175
Base-Backbone interact. energy: 0.078
local terms energy: -551.820161
where:
bonds (distance) C4'-P energy: -113.521
bonds (distance) P-C4' energy: -130.513
flat angles C4'-P-C4' energy: -125.761
flat angles P-C4'-P energy: -81.540
tors. eta vs tors. theta energy: -100.484
Dist. restrs. and SS energy: 5.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -1715.362878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.362878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.866126 (E_RNA)
where:
Base-Base interactions energy: -1171.352
where: short stacking energy: -498.656
Base-Backbone interact. energy: 1.595
local terms energy: -571.108768
where:
bonds (distance) C4'-P energy: -128.190
bonds (distance) P-C4' energy: -125.335
flat angles C4'-P-C4' energy: -133.155
flat angles P-C4'-P energy: -73.682
tors. eta vs tors. theta energy: -110.748
Dist. restrs. and SS energy: 25.503 (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: 4
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -2449.840225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.840225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.407013 (E_RNA)
where:
Base-Base interactions energy: -1639.204
where: short stacking energy: -754.883
Base-Backbone interact. energy: -5.166
local terms energy: -808.037295
where:
bonds (distance) C4'-P energy: -164.231
bonds (distance) P-C4' energy: -150.450
flat angles C4'-P-C4' energy: -171.108
flat angles P-C4'-P energy: -119.869
tors. eta vs tors. theta energy: -202.379
Dist. restrs. and SS energy: 2.567 (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: 9
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -2323.005902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.005902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.003255 (E_RNA)
where:
Base-Base interactions energy: -1530.246
where: short stacking energy: -704.979
Base-Backbone interact. energy: -3.325
local terms energy: -810.433068
where:
bonds (distance) C4'-P energy: -149.824
bonds (distance) P-C4' energy: -163.460
flat angles C4'-P-C4' energy: -171.758
flat angles P-C4'-P energy: -119.104
tors. eta vs tors. theta energy: -206.287
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: 3, replica: 3
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -2153.006564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.006564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.567114 (E_RNA)
where:
Base-Base interactions energy: -1415.408
where: short stacking energy: -646.763
Base-Backbone interact. energy: -1.250
local terms energy: -770.909226
where:
bonds (distance) C4'-P energy: -144.025
bonds (distance) P-C4' energy: -168.561
flat angles C4'-P-C4' energy: -162.503
flat angles P-C4'-P energy: -110.014
tors. eta vs tors. theta energy: -185.806
Dist. restrs. and SS energy: 34.561 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -2231.934400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.934400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.059567 (E_RNA)
where:
Base-Base interactions energy: -1520.651
where: short stacking energy: -647.564
Base-Backbone interact. energy: -2.065
local terms energy: -713.343397
where:
bonds (distance) C4'-P energy: -151.362
bonds (distance) P-C4' energy: -137.965
flat angles C4'-P-C4' energy: -154.813
flat angles P-C4'-P energy: -96.540
tors. eta vs tors. theta energy: -172.665
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: 5, replica: 6
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -2133.426174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.426174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.157764 (E_RNA)
where:
Base-Base interactions energy: -1415.998
where: short stacking energy: -611.974
Base-Backbone interact. energy: -0.939
local terms energy: -724.220055
where:
bonds (distance) C4'-P energy: -131.483
bonds (distance) P-C4' energy: -165.128
flat angles C4'-P-C4' energy: -173.344
flat angles P-C4'-P energy: -93.226
tors. eta vs tors. theta energy: -161.039
Dist. restrs. and SS energy: 7.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -2018.480481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.480481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.427604 (E_RNA)
where:
Base-Base interactions energy: -1353.398
where: short stacking energy: -612.292
Base-Backbone interact. energy: 1.226
local terms energy: -686.255233
where:
bonds (distance) C4'-P energy: -127.310
bonds (distance) P-C4' energy: -149.711
flat angles C4'-P-C4' energy: -174.308
flat angles P-C4'-P energy: -89.246
tors. eta vs tors. theta energy: -145.680
Dist. restrs. and SS energy: 19.947 (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: 10
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -1926.226946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.226946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.192550 (E_RNA)
where:
Base-Base interactions energy: -1280.946
where: short stacking energy: -533.011
Base-Backbone interact. energy: -1.035
local terms energy: -653.211004
where:
bonds (distance) C4'-P energy: -126.370
bonds (distance) P-C4' energy: -143.551
flat angles C4'-P-C4' energy: -156.070
flat angles P-C4'-P energy: -93.365
tors. eta vs tors. theta energy: -133.855
Dist. restrs. and SS energy: 8.966 (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: 5
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -1713.308356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.308356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.303087 (E_RNA)
where:
Base-Base interactions energy: -1136.321
where: short stacking energy: -510.741
Base-Backbone interact. energy: 0.955
local terms energy: -624.937140
where:
bonds (distance) C4'-P energy: -125.526
bonds (distance) P-C4' energy: -130.555
flat angles C4'-P-C4' energy: -145.019
flat angles P-C4'-P energy: -102.506
tors. eta vs tors. theta energy: -121.332
Dist. restrs. and SS energy: 46.995 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -1787.316000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.316000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.368593 (E_RNA)
where:
Base-Base interactions energy: -1208.692
where: short stacking energy: -526.971
Base-Backbone interact. energy: 0.442
local terms energy: -589.118702
where:
bonds (distance) C4'-P energy: -110.405
bonds (distance) P-C4' energy: -129.509
flat angles C4'-P-C4' energy: -129.475
flat angles P-C4'-P energy: -87.589
tors. eta vs tors. theta energy: -132.141
Dist. restrs. and SS energy: 10.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -1701.398353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.398353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.010586 (E_RNA)
where:
Base-Base interactions energy: -1164.147
where: short stacking energy: -483.655
Base-Backbone interact. energy: 2.448
local terms energy: -559.311778
where:
bonds (distance) C4'-P energy: -124.943
bonds (distance) P-C4' energy: -129.504
flat angles C4'-P-C4' energy: -117.139
flat angles P-C4'-P energy: -86.064
tors. eta vs tors. theta energy: -101.661
Dist. restrs. and SS energy: 19.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -2449.849568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.849568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.499811 (E_RNA)
where:
Base-Base interactions energy: -1629.509
where: short stacking energy: -729.759
Base-Backbone interact. energy: -0.881
local terms energy: -822.110025
where:
bonds (distance) C4'-P energy: -159.330
bonds (distance) P-C4' energy: -164.269
flat angles C4'-P-C4' energy: -170.344
flat angles P-C4'-P energy: -126.509
tors. eta vs tors. theta energy: -201.658
Dist. restrs. and SS energy: 2.650 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -2415.595156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.595156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.190828 (E_RNA)
where:
Base-Base interactions energy: -1615.028
where: short stacking energy: -680.177
Base-Backbone interact. energy: -4.709
local terms energy: -810.453792
where:
bonds (distance) C4'-P energy: -143.942
bonds (distance) P-C4' energy: -167.884
flat angles C4'-P-C4' energy: -183.080
flat angles P-C4'-P energy: -114.486
tors. eta vs tors. theta energy: -201.062
Dist. restrs. and SS energy: 14.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -2157.892519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.892519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.982298 (E_RNA)
where:
Base-Base interactions energy: -1425.377
where: short stacking energy: -640.279
Base-Backbone interact. energy: -2.574
local terms energy: -760.031055
where:
bonds (distance) C4'-P energy: -152.180
bonds (distance) P-C4' energy: -143.897
flat angles C4'-P-C4' energy: -162.077
flat angles P-C4'-P energy: -118.041
tors. eta vs tors. theta energy: -183.835
Dist. restrs. and SS energy: 30.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -2213.902185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.902185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.984380 (E_RNA)
where:
Base-Base interactions energy: -1492.236
where: short stacking energy: -646.971
Base-Backbone interact. energy: -3.683
local terms energy: -724.064523
where:
bonds (distance) C4'-P energy: -147.276
bonds (distance) P-C4' energy: -137.949
flat angles C4'-P-C4' energy: -159.674
flat angles P-C4'-P energy: -107.589
tors. eta vs tors. theta energy: -171.577
Dist. restrs. and SS energy: 6.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -2218.389837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.389837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.358580 (E_RNA)
where:
Base-Base interactions energy: -1475.638
where: short stacking energy: -647.492
Base-Backbone interact. energy: -3.043
local terms energy: -742.677360
where:
bonds (distance) C4'-P energy: -150.334
bonds (distance) P-C4' energy: -152.690
flat angles C4'-P-C4' energy: -166.512
flat angles P-C4'-P energy: -107.410
tors. eta vs tors. theta energy: -165.730
Dist. restrs. and SS energy: 2.969 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -2011.488385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.488385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.312412 (E_RNA)
where:
Base-Base interactions energy: -1394.245
where: short stacking energy: -582.623
Base-Backbone interact. energy: -2.688
local terms energy: -630.379193
where:
bonds (distance) C4'-P energy: -134.684
bonds (distance) P-C4' energy: -145.751
flat angles C4'-P-C4' energy: -130.284
flat angles P-C4'-P energy: -81.999
tors. eta vs tors. theta energy: -137.661
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: 10
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -1968.281439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.281439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.263965 (E_RNA)
where:
Base-Base interactions energy: -1298.484
where: short stacking energy: -570.930
Base-Backbone interact. energy: -1.594
local terms energy: -681.186197
where:
bonds (distance) C4'-P energy: -139.154
bonds (distance) P-C4' energy: -146.732
flat angles C4'-P-C4' energy: -145.908
flat angles P-C4'-P energy: -91.489
tors. eta vs tors. theta energy: -157.902
Dist. restrs. and SS energy: 12.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -1934.711739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.711739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.134482 (E_RNA)
where:
Base-Base interactions energy: -1288.367
where: short stacking energy: -548.779
Base-Backbone interact. energy: 1.951
local terms energy: -653.718259
where:
bonds (distance) C4'-P energy: -116.515
bonds (distance) P-C4' energy: -141.490
flat angles C4'-P-C4' energy: -158.448
flat angles P-C4'-P energy: -89.127
tors. eta vs tors. theta energy: -148.138
Dist. restrs. and SS energy: 5.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -1618.259534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.259534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.691511 (E_RNA)
where:
Base-Base interactions energy: -1104.740
where: short stacking energy: -468.033
Base-Backbone interact. energy: -3.739
local terms energy: -549.213066
where:
bonds (distance) C4'-P energy: -98.927
bonds (distance) P-C4' energy: -127.533
flat angles C4'-P-C4' energy: -122.915
flat angles P-C4'-P energy: -78.236
tors. eta vs tors. theta energy: -121.602
Dist. restrs. and SS energy: 39.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -1726.438031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.438031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.421286 (E_RNA)
where:
Base-Base interactions energy: -1176.662
where: short stacking energy: -484.161
Base-Backbone interact. energy: 4.126
local terms energy: -564.885391
where:
bonds (distance) C4'-P energy: -127.426
bonds (distance) P-C4' energy: -123.746
flat angles C4'-P-C4' energy: -123.535
flat angles P-C4'-P energy: -75.647
tors. eta vs tors. theta energy: -114.531
Dist. restrs. and SS energy: 10.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -2492.716898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.716898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.646854 (E_RNA)
where:
Base-Base interactions energy: -1673.243
where: short stacking energy: -756.006
Base-Backbone interact. energy: -0.829
local terms energy: -821.575293
where:
bonds (distance) C4'-P energy: -150.359
bonds (distance) P-C4' energy: -165.344
flat angles C4'-P-C4' energy: -183.464
flat angles P-C4'-P energy: -112.549
tors. eta vs tors. theta energy: -209.859
Dist. restrs. and SS energy: 2.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -2418.826672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.826672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.946496 (E_RNA)
where:
Base-Base interactions energy: -1609.998
where: short stacking energy: -712.628
Base-Backbone interact. energy: -0.881
local terms energy: -819.067690
where:
bonds (distance) C4'-P energy: -169.118
bonds (distance) P-C4' energy: -162.535
flat angles C4'-P-C4' energy: -176.238
flat angles P-C4'-P energy: -118.484
tors. eta vs tors. theta energy: -192.694
Dist. restrs. and SS energy: 11.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -2303.992720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.992720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.393662 (E_RNA)
where:
Base-Base interactions energy: -1557.104
where: short stacking energy: -681.736
Base-Backbone interact. energy: -0.885
local terms energy: -751.404654
where:
bonds (distance) C4'-P energy: -138.918
bonds (distance) P-C4' energy: -156.277
flat angles C4'-P-C4' energy: -166.975
flat angles P-C4'-P energy: -109.386
tors. eta vs tors. theta energy: -179.849
Dist. restrs. and SS energy: 5.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -2112.240258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.240258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.666373 (E_RNA)
where:
Base-Base interactions energy: -1377.706
where: short stacking energy: -588.821
Base-Backbone interact. energy: -0.651
local terms energy: -760.309531
where:
bonds (distance) C4'-P energy: -154.791
bonds (distance) P-C4' energy: -155.509
flat angles C4'-P-C4' energy: -172.636
flat angles P-C4'-P energy: -102.628
tors. eta vs tors. theta energy: -174.746
Dist. restrs. and SS energy: 26.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -2165.091173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.091173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.138416 (E_RNA)
where:
Base-Base interactions energy: -1443.015
where: short stacking energy: -626.492
Base-Backbone interact. energy: -1.050
local terms energy: -728.073017
where:
bonds (distance) C4'-P energy: -138.116
bonds (distance) P-C4' energy: -159.247
flat angles C4'-P-C4' energy: -177.154
flat angles P-C4'-P energy: -84.271
tors. eta vs tors. theta energy: -169.286
Dist. restrs. and SS energy: 7.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -1958.588849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.588849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.458409 (E_RNA)
where:
Base-Base interactions energy: -1322.262
where: short stacking energy: -569.236
Base-Backbone interact. energy: 6.223
local terms energy: -653.419046
where:
bonds (distance) C4'-P energy: -134.552
bonds (distance) P-C4' energy: -135.949
flat angles C4'-P-C4' energy: -141.289
flat angles P-C4'-P energy: -105.125
tors. eta vs tors. theta energy: -136.504
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: 7, replica: 10
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -2002.554082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.554082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.943921 (E_RNA)
where:
Base-Base interactions energy: -1322.840
where: short stacking energy: -581.905
Base-Backbone interact. energy: -2.636
local terms energy: -688.467783
where:
bonds (distance) C4'-P energy: -131.675
bonds (distance) P-C4' energy: -148.891
flat angles C4'-P-C4' energy: -162.366
flat angles P-C4'-P energy: -96.370
tors. eta vs tors. theta energy: -149.165
Dist. restrs. and SS energy: 11.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -1927.613533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.613533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.505281 (E_RNA)
where:
Base-Base interactions energy: -1296.924
where: short stacking energy: -551.888
Base-Backbone interact. energy: 5.759
local terms energy: -644.340341
where:
bonds (distance) C4'-P energy: -141.084
bonds (distance) P-C4' energy: -122.343
flat angles C4'-P-C4' energy: -146.983
flat angles P-C4'-P energy: -92.306
tors. eta vs tors. theta energy: -141.624
Dist. restrs. and SS energy: 7.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -1819.821079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.821079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.583713 (E_RNA)
where:
Base-Base interactions energy: -1235.201
where: short stacking energy: -528.284
Base-Backbone interact. energy: -2.370
local terms energy: -597.012946
where:
bonds (distance) C4'-P energy: -131.807
bonds (distance) P-C4' energy: -132.768
flat angles C4'-P-C4' energy: -152.122
flat angles P-C4'-P energy: -71.704
tors. eta vs tors. theta energy: -108.612
Dist. restrs. and SS energy: 14.763 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -1593.440044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.440044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.737073 (E_RNA)
where:
Base-Base interactions energy: -1027.587
where: short stacking energy: -456.552
Base-Backbone interact. energy: 1.171
local terms energy: -597.321106
where:
bonds (distance) C4'-P energy: -132.908
bonds (distance) P-C4' energy: -145.534
flat angles C4'-P-C4' energy: -146.007
flat angles P-C4'-P energy: -83.772
tors. eta vs tors. theta energy: -89.100
Dist. restrs. and SS energy: 30.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -2585.483946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.483946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.626264 (E_RNA)
where:
Base-Base interactions energy: -1730.783
where: short stacking energy: -753.623
Base-Backbone interact. energy: 1.464
local terms energy: -858.307186
where:
bonds (distance) C4'-P energy: -154.963
bonds (distance) P-C4' energy: -178.680
flat angles C4'-P-C4' energy: -181.204
flat angles P-C4'-P energy: -135.069
tors. eta vs tors. theta energy: -208.391
Dist. restrs. and SS energy: 2.142 (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: 9
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -2437.245803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.245803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.405351 (E_RNA)
where:
Base-Base interactions energy: -1654.222
where: short stacking energy: -727.164
Base-Backbone interact. energy: -0.764
local terms energy: -801.419753
where:
bonds (distance) C4'-P energy: -140.380
bonds (distance) P-C4' energy: -163.917
flat angles C4'-P-C4' energy: -173.977
flat angles P-C4'-P energy: -116.967
tors. eta vs tors. theta energy: -206.178
Dist. restrs. and SS energy: 19.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -2332.787104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.787104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.334078 (E_RNA)
where:
Base-Base interactions energy: -1590.923
where: short stacking energy: -702.089
Base-Backbone interact. energy: 1.453
local terms energy: -745.864048
where:
bonds (distance) C4'-P energy: -145.556
bonds (distance) P-C4' energy: -144.273
flat angles C4'-P-C4' energy: -165.823
flat angles P-C4'-P energy: -102.679
tors. eta vs tors. theta energy: -187.534
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: 4, replica: 6
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -2227.981874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.981874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.249913 (E_RNA)
where:
Base-Base interactions energy: -1467.454
where: short stacking energy: -625.222
Base-Backbone interact. energy: -2.074
local terms energy: -762.721349
where:
bonds (distance) C4'-P energy: -138.797
bonds (distance) P-C4' energy: -161.012
flat angles C4'-P-C4' energy: -168.793
flat angles P-C4'-P energy: -111.313
tors. eta vs tors. theta energy: -182.806
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: 3
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -1941.898491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.898491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.358602 (E_RNA)
where:
Base-Base interactions energy: -1276.043
where: short stacking energy: -586.180
Base-Backbone interact. energy: 2.680
local terms energy: -688.995360
where:
bonds (distance) C4'-P energy: -134.183
bonds (distance) P-C4' energy: -140.652
flat angles C4'-P-C4' energy: -152.760
flat angles P-C4'-P energy: -117.815
tors. eta vs tors. theta energy: -143.585
Dist. restrs. and SS energy: 20.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -2028.176912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.176912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.218321 (E_RNA)
where:
Base-Base interactions energy: -1361.784
where: short stacking energy: -609.722
Base-Backbone interact. energy: -5.147
local terms energy: -674.287314
where:
bonds (distance) C4'-P energy: -114.632
bonds (distance) P-C4' energy: -146.390
flat angles C4'-P-C4' energy: -162.684
flat angles P-C4'-P energy: -96.512
tors. eta vs tors. theta energy: -154.069
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: 7, replica: 1
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -1942.579927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.579927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.610365 (E_RNA)
where:
Base-Base interactions energy: -1324.530
where: short stacking energy: -529.962
Base-Backbone interact. energy: -0.194
local terms energy: -622.886153
where:
bonds (distance) C4'-P energy: -125.788
bonds (distance) P-C4' energy: -136.467
flat angles C4'-P-C4' energy: -148.680
flat angles P-C4'-P energy: -82.253
tors. eta vs tors. theta energy: -129.699
Dist. restrs. and SS energy: 5.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -1970.939957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.939957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.831967 (E_RNA)
where:
Base-Base interactions energy: -1366.351
where: short stacking energy: -568.498
Base-Backbone interact. energy: 3.985
local terms energy: -611.465797
where:
bonds (distance) C4'-P energy: -105.588
bonds (distance) P-C4' energy: -136.488
flat angles C4'-P-C4' energy: -154.763
flat angles P-C4'-P energy: -80.638
tors. eta vs tors. theta energy: -133.989
Dist. restrs. and SS energy: 2.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -1825.201684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.201684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.415570 (E_RNA)
where:
Base-Base interactions energy: -1240.915
where: short stacking energy: -521.969
Base-Backbone interact. energy: 0.982
local terms energy: -591.482223
where:
bonds (distance) C4'-P energy: -112.321
bonds (distance) P-C4' energy: -117.650
flat angles C4'-P-C4' energy: -138.049
flat angles P-C4'-P energy: -96.700
tors. eta vs tors. theta energy: -126.762
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: 5
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -1619.063034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.063034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.950157 (E_RNA)
where:
Base-Base interactions energy: -1080.982
where: short stacking energy: -446.333
Base-Backbone interact. energy: -3.006
local terms energy: -567.962179
where:
bonds (distance) C4'-P energy: -131.926
bonds (distance) P-C4' energy: -113.875
flat angles C4'-P-C4' energy: -132.760
flat angles P-C4'-P energy: -101.279
tors. eta vs tors. theta energy: -88.122
Dist. restrs. and SS energy: 32.887 (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: 4
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -2603.851687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.851687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.506083 (E_RNA)
where:
Base-Base interactions energy: -1764.786
where: short stacking energy: -781.898
Base-Backbone interact. energy: -1.258
local terms energy: -840.462122
where:
bonds (distance) C4'-P energy: -157.202
bonds (distance) P-C4' energy: -152.840
flat angles C4'-P-C4' energy: -184.100
flat angles P-C4'-P energy: -118.565
tors. eta vs tors. theta energy: -227.755
Dist. restrs. and SS energy: 2.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -2408.720084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.720084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.381056 (E_RNA)
where:
Base-Base interactions energy: -1600.890
where: short stacking energy: -689.933
Base-Backbone interact. energy: -1.859
local terms energy: -821.632468
where:
bonds (distance) C4'-P energy: -155.013
bonds (distance) P-C4' energy: -167.216
flat angles C4'-P-C4' energy: -171.638
flat angles P-C4'-P energy: -129.161
tors. eta vs tors. theta energy: -198.604
Dist. restrs. and SS energy: 15.661 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -2375.876170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.876170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.594226 (E_RNA)
where:
Base-Base interactions energy: -1596.899
where: short stacking energy: -709.633
Base-Backbone interact. energy: -2.166
local terms energy: -781.529166
where:
bonds (distance) C4'-P energy: -143.892
bonds (distance) P-C4' energy: -144.334
flat angles C4'-P-C4' energy: -167.742
flat angles P-C4'-P energy: -121.502
tors. eta vs tors. theta energy: -204.059
Dist. restrs. and SS energy: 4.718 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -2287.841867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.841867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.192050 (E_RNA)
where:
Base-Base interactions energy: -1527.314
where: short stacking energy: -677.147
Base-Backbone interact. energy: -2.141
local terms energy: -763.737300
where:
bonds (distance) C4'-P energy: -135.457
bonds (distance) P-C4' energy: -168.898
flat angles C4'-P-C4' energy: -176.316
flat angles P-C4'-P energy: -97.901
tors. eta vs tors. theta energy: -185.165
Dist. restrs. and SS energy: 5.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -2166.252579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.252579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.307980 (E_RNA)
where:
Base-Base interactions energy: -1441.221
where: short stacking energy: -658.755
Base-Backbone interact. energy: -3.605
local terms energy: -728.481874
where:
bonds (distance) C4'-P energy: -153.573
bonds (distance) P-C4' energy: -149.935
flat angles C4'-P-C4' energy: -141.113
flat angles P-C4'-P energy: -105.348
tors. eta vs tors. theta energy: -178.513
Dist. restrs. and SS energy: 7.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -1876.107800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.107800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.605928 (E_RNA)
where:
Base-Base interactions energy: -1236.327
where: short stacking energy: -537.944
Base-Backbone interact. energy: -2.361
local terms energy: -661.917267
where:
bonds (distance) C4'-P energy: -164.280
bonds (distance) P-C4' energy: -136.262
flat angles C4'-P-C4' energy: -128.193
flat angles P-C4'-P energy: -107.855
tors. eta vs tors. theta energy: -125.327
Dist. restrs. and SS energy: 24.498 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -1950.692382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.692382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.099523 (E_RNA)
where:
Base-Base interactions energy: -1317.402
where: short stacking energy: -570.938
Base-Backbone interact. energy: -3.479
local terms energy: -635.218928
where:
bonds (distance) C4'-P energy: -134.329
bonds (distance) P-C4' energy: -141.879
flat angles C4'-P-C4' energy: -149.164
flat angles P-C4'-P energy: -71.811
tors. eta vs tors. theta energy: -138.035
Dist. restrs. and SS energy: 5.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -1971.682053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.682053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.287410 (E_RNA)
where:
Base-Base interactions energy: -1347.078
where: short stacking energy: -574.192
Base-Backbone interact. energy: -0.820
local terms energy: -627.389472
where:
bonds (distance) C4'-P energy: -134.968
bonds (distance) P-C4' energy: -119.567
flat angles C4'-P-C4' energy: -143.711
flat angles P-C4'-P energy: -89.274
tors. eta vs tors. theta energy: -139.869
Dist. restrs. and SS energy: 3.605 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -1849.183431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.183431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.025027 (E_RNA)
where:
Base-Base interactions energy: -1262.310
where: short stacking energy: -541.164
Base-Backbone interact. energy: -2.913
local terms energy: -590.802660
where:
bonds (distance) C4'-P energy: -115.444
bonds (distance) P-C4' energy: -101.914
flat angles C4'-P-C4' energy: -140.479
flat angles P-C4'-P energy: -90.434
tors. eta vs tors. theta energy: -142.531
Dist. restrs. and SS energy: 6.842 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -1698.504002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.504002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.683269 (E_RNA)
where:
Base-Base interactions energy: -1145.939
where: short stacking energy: -495.345
Base-Backbone interact. energy: 0.804
local terms energy: -565.548421
where:
bonds (distance) C4'-P energy: -118.784
bonds (distance) P-C4' energy: -110.279
flat angles C4'-P-C4' energy: -125.936
flat angles P-C4'-P energy: -84.050
tors. eta vs tors. theta energy: -126.499
Dist. restrs. and SS energy: 12.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -2596.069970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.069970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.197895 (E_RNA)
where:
Base-Base interactions energy: -1734.708
where: short stacking energy: -744.163
Base-Backbone interact. energy: -4.324
local terms energy: -859.165405
where:
bonds (distance) C4'-P energy: -170.722
bonds (distance) P-C4' energy: -169.335
flat angles C4'-P-C4' energy: -187.868
flat angles P-C4'-P energy: -118.874
tors. eta vs tors. theta energy: -212.366
Dist. restrs. and SS energy: 2.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -2432.607379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.607379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.273804 (E_RNA)
where:
Base-Base interactions energy: -1650.146
where: short stacking energy: -708.989
Base-Backbone interact. energy: -1.734
local terms energy: -793.393605
where:
bonds (distance) C4'-P energy: -145.857
bonds (distance) P-C4' energy: -159.262
flat angles C4'-P-C4' energy: -177.385
flat angles P-C4'-P energy: -111.485
tors. eta vs tors. theta energy: -199.405
Dist. restrs. and SS energy: 12.666 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -2397.820082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.820082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.609005 (E_RNA)
where:
Base-Base interactions energy: -1614.807
where: short stacking energy: -731.930
Base-Backbone interact. energy: 0.800
local terms energy: -785.602133
where:
bonds (distance) C4'-P energy: -163.277
bonds (distance) P-C4' energy: -151.729
flat angles C4'-P-C4' energy: -163.197
flat angles P-C4'-P energy: -105.510
tors. eta vs tors. theta energy: -201.890
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: 10
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -2237.167906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.167906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.666787 (E_RNA)
where:
Base-Base interactions energy: -1500.986
where: short stacking energy: -680.604
Base-Backbone interact. energy: -0.988
local terms energy: -743.693184
where:
bonds (distance) C4'-P energy: -137.534
bonds (distance) P-C4' energy: -124.764
flat angles C4'-P-C4' energy: -173.641
flat angles P-C4'-P energy: -120.211
tors. eta vs tors. theta energy: -187.544
Dist. restrs. and SS energy: 8.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -2174.671212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.671212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.359892 (E_RNA)
where:
Base-Base interactions energy: -1435.221
where: short stacking energy: -621.803
Base-Backbone interact. energy: -1.321
local terms energy: -744.817529
where:
bonds (distance) C4'-P energy: -143.066
bonds (distance) P-C4' energy: -144.538
flat angles C4'-P-C4' energy: -163.039
flat angles P-C4'-P energy: -105.030
tors. eta vs tors. theta energy: -189.144
Dist. restrs. and SS energy: 6.689 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -2046.068623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.068623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.636888 (E_RNA)
where:
Base-Base interactions energy: -1387.294
where: short stacking energy: -596.577
Base-Backbone interact. energy: -0.366
local terms energy: -660.976737
where:
bonds (distance) C4'-P energy: -144.300
bonds (distance) P-C4' energy: -121.758
flat angles C4'-P-C4' energy: -152.504
flat angles P-C4'-P energy: -101.065
tors. eta vs tors. theta energy: -141.350
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: 7, replica: 3
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -1807.616283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.616283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.710668 (E_RNA)
where:
Base-Base interactions energy: -1209.819
where: short stacking energy: -546.128
Base-Backbone interact. energy: -3.871
local terms energy: -613.020030
where:
bonds (distance) C4'-P energy: -134.352
bonds (distance) P-C4' energy: -133.518
flat angles C4'-P-C4' energy: -137.541
flat angles P-C4'-P energy: -81.684
tors. eta vs tors. theta energy: -125.924
Dist. restrs. and SS energy: 19.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -1951.912135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.912135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.734872 (E_RNA)
where:
Base-Base interactions energy: -1315.498
where: short stacking energy: -540.822
Base-Backbone interact. energy: -2.250
local terms energy: -636.986013
where:
bonds (distance) C4'-P energy: -121.680
bonds (distance) P-C4' energy: -138.684
flat angles C4'-P-C4' energy: -130.299
flat angles P-C4'-P energy: -106.833
tors. eta vs tors. theta energy: -139.491
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: 9, replica: 8
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -1808.085577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.085577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.243480 (E_RNA)
where:
Base-Base interactions energy: -1249.827
where: short stacking energy: -508.596
Base-Backbone interact. energy: 1.517
local terms energy: -569.933199
where:
bonds (distance) C4'-P energy: -118.072
bonds (distance) P-C4' energy: -118.946
flat angles C4'-P-C4' energy: -126.926
flat angles P-C4'-P energy: -79.609
tors. eta vs tors. theta energy: -126.381
Dist. restrs. and SS energy: 10.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -1771.207728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.207728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.422221 (E_RNA)
where:
Base-Base interactions energy: -1174.935
where: short stacking energy: -448.854
Base-Backbone interact. energy: 1.259
local terms energy: -604.745856
where:
bonds (distance) C4'-P energy: -121.744
bonds (distance) P-C4' energy: -150.862
flat angles C4'-P-C4' energy: -144.069
flat angles P-C4'-P energy: -95.691
tors. eta vs tors. theta energy: -92.379
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: 1, replica: 4
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -2641.694768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.694768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.179311 (E_RNA)
where:
Base-Base interactions energy: -1796.363
where: short stacking energy: -788.834
Base-Backbone interact. energy: -5.208
local terms energy: -841.608190
where:
bonds (distance) C4'-P energy: -176.325
bonds (distance) P-C4' energy: -166.113
flat angles C4'-P-C4' energy: -172.294
flat angles P-C4'-P energy: -121.895
tors. eta vs tors. theta energy: -204.981
Dist. restrs. and SS energy: 1.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -2430.490009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.490009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.865833 (E_RNA)
where:
Base-Base interactions energy: -1619.839
where: short stacking energy: -705.359
Base-Backbone interact. energy: 0.251
local terms energy: -819.277655
where:
bonds (distance) C4'-P energy: -168.861
bonds (distance) P-C4' energy: -153.332
flat angles C4'-P-C4' energy: -174.934
flat angles P-C4'-P energy: -118.554
tors. eta vs tors. theta energy: -203.597
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: 3, replica: 7
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -2427.303989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.303989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.914354 (E_RNA)
where:
Base-Base interactions energy: -1655.080
where: short stacking energy: -704.051
Base-Backbone interact. energy: 0.578
local terms energy: -774.412374
where:
bonds (distance) C4'-P energy: -140.402
bonds (distance) P-C4' energy: -162.878
flat angles C4'-P-C4' energy: -180.575
flat angles P-C4'-P energy: -95.780
tors. eta vs tors. theta energy: -194.777
Dist. restrs. and SS energy: 1.610 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -2258.936827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.936827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.952603 (E_RNA)
where:
Base-Base interactions energy: -1544.691
where: short stacking energy: -660.801
Base-Backbone interact. energy: 5.923
local terms energy: -728.184576
where:
bonds (distance) C4'-P energy: -137.210
bonds (distance) P-C4' energy: -135.566
flat angles C4'-P-C4' energy: -162.273
flat angles P-C4'-P energy: -112.454
tors. eta vs tors. theta energy: -180.681
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: 5, replica: 6
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -2172.856014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.856014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.790479 (E_RNA)
where:
Base-Base interactions energy: -1446.164
where: short stacking energy: -639.660
Base-Backbone interact. energy: -2.965
local terms energy: -726.661188
where:
bonds (distance) C4'-P energy: -152.026
bonds (distance) P-C4' energy: -150.763
flat angles C4'-P-C4' energy: -155.148
flat angles P-C4'-P energy: -107.062
tors. eta vs tors. theta energy: -161.662
Dist. restrs. and SS energy: 2.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -2059.824354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.824354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.555825 (E_RNA)
where:
Base-Base interactions energy: -1367.097
where: short stacking energy: -608.891
Base-Backbone interact. energy: -0.512
local terms energy: -697.947385
where:
bonds (distance) C4'-P energy: -140.536
bonds (distance) P-C4' energy: -157.094
flat angles C4'-P-C4' energy: -148.583
flat angles P-C4'-P energy: -100.695
tors. eta vs tors. theta energy: -151.040
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: 7, replica: 2
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -2045.435909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.435909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.776386 (E_RNA)
where:
Base-Base interactions energy: -1392.616
where: short stacking energy: -601.830
Base-Backbone interact. energy: 2.006
local terms energy: -657.166989
where:
bonds (distance) C4'-P energy: -122.350
bonds (distance) P-C4' energy: -141.465
flat angles C4'-P-C4' energy: -137.910
flat angles P-C4'-P energy: -100.445
tors. eta vs tors. theta energy: -154.997
Dist. restrs. and SS energy: 2.340 (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: 3
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -1761.319641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.319641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.189278 (E_RNA)
where:
Base-Base interactions energy: -1151.436
where: short stacking energy: -512.539
Base-Backbone interact. energy: -1.770
local terms energy: -631.983155
where:
bonds (distance) C4'-P energy: -125.121
bonds (distance) P-C4' energy: -135.636
flat angles C4'-P-C4' energy: -147.829
flat angles P-C4'-P energy: -91.004
tors. eta vs tors. theta energy: -132.393
Dist. restrs. and SS energy: 23.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -1801.396484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.396484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.971935 (E_RNA)
where:
Base-Base interactions energy: -1196.996
where: short stacking energy: -510.873
Base-Backbone interact. energy: 3.987
local terms energy: -617.962572
where:
bonds (distance) C4'-P energy: -132.623
bonds (distance) P-C4' energy: -123.145
flat angles C4'-P-C4' energy: -136.281
flat angles P-C4'-P energy: -96.809
tors. eta vs tors. theta energy: -129.105
Dist. restrs. and SS energy: 9.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -1786.441467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.441467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.810099 (E_RNA)
where:
Base-Base interactions energy: -1186.516
where: short stacking energy: -494.643
Base-Backbone interact. energy: -0.672
local terms energy: -618.622428
where:
bonds (distance) C4'-P energy: -130.556
bonds (distance) P-C4' energy: -148.243
flat angles C4'-P-C4' energy: -126.291
flat angles P-C4'-P energy: -90.330
tors. eta vs tors. theta energy: -123.202
Dist. restrs. and SS energy: 19.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -2620.763821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.763821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.910479 (E_RNA)
where:
Base-Base interactions energy: -1767.323
where: short stacking energy: -789.878
Base-Backbone interact. energy: -0.074
local terms energy: -855.513167
where:
bonds (distance) C4'-P energy: -163.969
bonds (distance) P-C4' energy: -154.930
flat angles C4'-P-C4' energy: -196.790
flat angles P-C4'-P energy: -119.044
tors. eta vs tors. theta energy: -220.780
Dist. restrs. and SS energy: 2.147 (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: 9
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -2443.571993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.571993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.308373 (E_RNA)
where:
Base-Base interactions energy: -1650.655
where: short stacking energy: -719.826
Base-Backbone interact. energy: 1.092
local terms energy: -801.745099
where:
bonds (distance) C4'-P energy: -143.598
bonds (distance) P-C4' energy: -167.634
flat angles C4'-P-C4' energy: -176.443
flat angles P-C4'-P energy: -113.558
tors. eta vs tors. theta energy: -200.512
Dist. restrs. and SS energy: 7.736 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -2447.584942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.584942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.033404 (E_RNA)
where:
Base-Base interactions energy: -1649.124
where: short stacking energy: -700.784
Base-Backbone interact. energy: -4.035
local terms energy: -796.873801
where:
bonds (distance) C4'-P energy: -158.828
bonds (distance) P-C4' energy: -172.488
flat angles C4'-P-C4' energy: -168.108
flat angles P-C4'-P energy: -116.470
tors. eta vs tors. theta energy: -180.980
Dist. restrs. and SS energy: 2.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -2309.370718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.370718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.713133 (E_RNA)
where:
Base-Base interactions energy: -1557.625
where: short stacking energy: -694.906
Base-Backbone interact. energy: -4.513
local terms energy: -755.575292
where:
bonds (distance) C4'-P energy: -143.342
bonds (distance) P-C4' energy: -136.042
flat angles C4'-P-C4' energy: -163.162
flat angles P-C4'-P energy: -108.116
tors. eta vs tors. theta energy: -204.914
Dist. restrs. and SS energy: 8.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -2230.155360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.155360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.302823 (E_RNA)
where:
Base-Base interactions energy: -1512.938
where: short stacking energy: -671.650
Base-Backbone interact. energy: -2.296
local terms energy: -722.068926
where:
bonds (distance) C4'-P energy: -140.317
bonds (distance) P-C4' energy: -134.345
flat angles C4'-P-C4' energy: -159.217
flat angles P-C4'-P energy: -92.149
tors. eta vs tors. theta energy: -196.041
Dist. restrs. and SS energy: 7.147 (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: 1
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -2045.262211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.262211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.418853 (E_RNA)
where:
Base-Base interactions energy: -1343.334
where: short stacking energy: -589.248
Base-Backbone interact. energy: -2.195
local terms energy: -707.890293
where:
bonds (distance) C4'-P energy: -130.853
bonds (distance) P-C4' energy: -151.752
flat angles C4'-P-C4' energy: -163.999
flat angles P-C4'-P energy: -108.660
tors. eta vs tors. theta energy: -152.626
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: 7, replica: 2
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -2107.943311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.943311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.644678 (E_RNA)
where:
Base-Base interactions energy: -1418.815
where: short stacking energy: -614.122
Base-Backbone interact. energy: 1.358
local terms energy: -692.187417
where:
bonds (distance) C4'-P energy: -143.063
bonds (distance) P-C4' energy: -136.914
flat angles C4'-P-C4' energy: -144.773
flat angles P-C4'-P energy: -99.501
tors. eta vs tors. theta energy: -167.936
Dist. restrs. and SS energy: 1.701 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -1956.383863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.383863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.490303 (E_RNA)
where:
Base-Base interactions energy: -1316.220
where: short stacking energy: -569.336
Base-Backbone interact. energy: -3.348
local terms energy: -642.922836
where:
bonds (distance) C4'-P energy: -111.095
bonds (distance) P-C4' energy: -152.672
flat angles C4'-P-C4' energy: -143.426
flat angles P-C4'-P energy: -93.724
tors. eta vs tors. theta energy: -142.006
Dist. restrs. and SS energy: 6.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -1680.764096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.764096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.926161 (E_RNA)
where:
Base-Base interactions energy: -1118.009
where: short stacking energy: -475.741
Base-Backbone interact. energy: 1.820
local terms energy: -582.736324
where:
bonds (distance) C4'-P energy: -123.272
bonds (distance) P-C4' energy: -125.048
flat angles C4'-P-C4' energy: -130.091
flat angles P-C4'-P energy: -85.526
tors. eta vs tors. theta energy: -118.800
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: 5
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -1800.097464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.097464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.500019 (E_RNA)
where:
Base-Base interactions energy: -1244.048
where: short stacking energy: -525.116
Base-Backbone interact. energy: 0.359
local terms energy: -561.810889
where:
bonds (distance) C4'-P energy: -105.347
bonds (distance) P-C4' energy: -116.914
flat angles C4'-P-C4' energy: -120.267
flat angles P-C4'-P energy: -90.895
tors. eta vs tors. theta energy: -128.388
Dist. restrs. and SS energy: 5.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -2616.427744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.427744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.284659 (E_RNA)
where:
Base-Base interactions energy: -1779.319
where: short stacking energy: -783.642
Base-Backbone interact. energy: -2.859
local terms energy: -837.106300
where:
bonds (distance) C4'-P energy: -166.694
bonds (distance) P-C4' energy: -145.277
flat angles C4'-P-C4' energy: -184.271
flat angles P-C4'-P energy: -119.020
tors. eta vs tors. theta energy: -221.845
Dist. restrs. and SS energy: 2.857 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -2428.023163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.023163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.454800 (E_RNA)
where:
Base-Base interactions energy: -1643.568
where: short stacking energy: -721.260
Base-Backbone interact. energy: -2.247
local terms energy: -796.639852
where:
bonds (distance) C4'-P energy: -150.672
bonds (distance) P-C4' energy: -153.705
flat angles C4'-P-C4' energy: -182.424
flat angles P-C4'-P energy: -106.161
tors. eta vs tors. theta energy: -203.678
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: 3, replica: 7
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -2420.335482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.335482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.414407 (E_RNA)
where:
Base-Base interactions energy: -1661.765
where: short stacking energy: -711.030
Base-Backbone interact. energy: 1.684
local terms energy: -761.333164
where:
bonds (distance) C4'-P energy: -153.770
bonds (distance) P-C4' energy: -143.667
flat angles C4'-P-C4' energy: -169.554
flat angles P-C4'-P energy: -105.596
tors. eta vs tors. theta energy: -188.746
Dist. restrs. and SS energy: 1.079 (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: 10
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -2348.581129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.581129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.840215 (E_RNA)
where:
Base-Base interactions energy: -1587.398
where: short stacking energy: -717.549
Base-Backbone interact. energy: -3.647
local terms energy: -765.794637
where:
bonds (distance) C4'-P energy: -141.081
bonds (distance) P-C4' energy: -156.183
flat angles C4'-P-C4' energy: -166.293
flat angles P-C4'-P energy: -102.539
tors. eta vs tors. theta energy: -199.699
Dist. restrs. and SS energy: 8.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -2232.569203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.569203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.913327 (E_RNA)
where:
Base-Base interactions energy: -1499.656
where: short stacking energy: -646.042
Base-Backbone interact. energy: -4.499
local terms energy: -732.758476
where:
bonds (distance) C4'-P energy: -164.211
bonds (distance) P-C4' energy: -134.496
flat angles C4'-P-C4' energy: -146.258
flat angles P-C4'-P energy: -106.166
tors. eta vs tors. theta energy: -181.628
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: 6, replica: 1
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -2031.902457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.902457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.091276 (E_RNA)
where:
Base-Base interactions energy: -1342.635
where: short stacking energy: -593.264
Base-Backbone interact. energy: -1.944
local terms energy: -695.513022
where:
bonds (distance) C4'-P energy: -149.814
bonds (distance) P-C4' energy: -144.131
flat angles C4'-P-C4' energy: -164.956
flat angles P-C4'-P energy: -88.749
tors. eta vs tors. theta energy: -147.864
Dist. restrs. and SS energy: 8.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -2112.523090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.523090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.663799 (E_RNA)
where:
Base-Base interactions energy: -1445.115
where: short stacking energy: -606.979
Base-Backbone interact. energy: 2.641
local terms energy: -671.189604
where:
bonds (distance) C4'-P energy: -129.640
bonds (distance) P-C4' energy: -133.430
flat angles C4'-P-C4' energy: -147.330
flat angles P-C4'-P energy: -79.110
tors. eta vs tors. theta energy: -181.680
Dist. restrs. and SS energy: 1.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -1953.964888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.964888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.288285 (E_RNA)
where:
Base-Base interactions energy: -1299.946
where: short stacking energy: -552.540
Base-Backbone interact. energy: -0.388
local terms energy: -659.954268
where:
bonds (distance) C4'-P energy: -144.158
bonds (distance) P-C4' energy: -130.198
flat angles C4'-P-C4' energy: -150.615
flat angles P-C4'-P energy: -89.756
tors. eta vs tors. theta energy: -145.228
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: 9, replica: 5
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -1855.562931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.562931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.800945 (E_RNA)
where:
Base-Base interactions energy: -1262.343
where: short stacking energy: -512.762
Base-Backbone interact. energy: 0.741
local terms energy: -596.198506
where:
bonds (distance) C4'-P energy: -134.797
bonds (distance) P-C4' energy: -108.458
flat angles C4'-P-C4' energy: -152.617
flat angles P-C4'-P energy: -88.039
tors. eta vs tors. theta energy: -112.287
Dist. restrs. and SS energy: 2.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -1654.582324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.582324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.075704 (E_RNA)
where:
Base-Base interactions energy: -1136.177
where: short stacking energy: -510.798
Base-Backbone interact. energy: 2.286
local terms energy: -543.185258
where:
bonds (distance) C4'-P energy: -108.663
bonds (distance) P-C4' energy: -128.156
flat angles C4'-P-C4' energy: -118.888
flat angles P-C4'-P energy: -62.121
tors. eta vs tors. theta energy: -125.357
Dist. restrs. and SS energy: 22.493 (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: 4
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -2662.863791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.863791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.576783 (E_RNA)
where:
Base-Base interactions energy: -1819.727
where: short stacking energy: -797.027
Base-Backbone interact. energy: -2.756
local terms energy: -843.093043
where:
bonds (distance) C4'-P energy: -154.745
bonds (distance) P-C4' energy: -161.916
flat angles C4'-P-C4' energy: -181.379
flat angles P-C4'-P energy: -126.306
tors. eta vs tors. theta energy: -218.747
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: 7
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -2520.160040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.160040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.852043 (E_RNA)
where:
Base-Base interactions energy: -1721.820
where: short stacking energy: -755.179
Base-Backbone interact. energy: 0.568
local terms energy: -801.599495
where:
bonds (distance) C4'-P energy: -154.790
bonds (distance) P-C4' energy: -155.589
flat angles C4'-P-C4' energy: -172.335
flat angles P-C4'-P energy: -101.861
tors. eta vs tors. theta energy: -217.024
Dist. restrs. and SS energy: 2.692 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -2347.647235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.647235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.041284 (E_RNA)
where:
Base-Base interactions energy: -1563.996
where: short stacking energy: -668.490
Base-Backbone interact. energy: -1.946
local terms energy: -792.098910
where:
bonds (distance) C4'-P energy: -156.988
bonds (distance) P-C4' energy: -149.009
flat angles C4'-P-C4' energy: -165.961
flat angles P-C4'-P energy: -125.352
tors. eta vs tors. theta energy: -194.789
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: 4, replica: 6
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -2283.986194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.986194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.205410 (E_RNA)
where:
Base-Base interactions energy: -1528.644
where: short stacking energy: -688.861
Base-Backbone interact. energy: 3.160
local terms energy: -760.721014
where:
bonds (distance) C4'-P energy: -145.716
bonds (distance) P-C4' energy: -155.312
flat angles C4'-P-C4' energy: -174.526
flat angles P-C4'-P energy: -100.164
tors. eta vs tors. theta energy: -185.003
Dist. restrs. and SS energy: 2.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -2260.405067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.405067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.205325 (E_RNA)
where:
Base-Base interactions energy: -1541.147
where: short stacking energy: -674.312
Base-Backbone interact. energy: -0.194
local terms energy: -723.864595
where:
bonds (distance) C4'-P energy: -148.137
bonds (distance) P-C4' energy: -142.179
flat angles C4'-P-C4' energy: -158.288
flat angles P-C4'-P energy: -93.420
tors. eta vs tors. theta energy: -181.841
Dist. restrs. and SS energy: 4.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -2150.137263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.137263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.649362 (E_RNA)
where:
Base-Base interactions energy: -1459.534
where: short stacking energy: -642.031
Base-Backbone interact. energy: 1.394
local terms energy: -694.508795
where:
bonds (distance) C4'-P energy: -126.104
bonds (distance) P-C4' energy: -148.469
flat angles C4'-P-C4' energy: -152.570
flat angles P-C4'-P energy: -93.853
tors. eta vs tors. theta energy: -173.513
Dist. restrs. and SS energy: 2.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -2009.107784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.107784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.491244 (E_RNA)
where:
Base-Base interactions energy: -1354.086
where: short stacking energy: -564.585
Base-Backbone interact. energy: 3.513
local terms energy: -660.918234
where:
bonds (distance) C4'-P energy: -144.497
bonds (distance) P-C4' energy: -137.674
flat angles C4'-P-C4' energy: -146.094
flat angles P-C4'-P energy: -96.465
tors. eta vs tors. theta energy: -136.188
Dist. restrs. and SS energy: 2.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -1979.675984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.675984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.799602 (E_RNA)
where:
Base-Base interactions energy: -1331.321
where: short stacking energy: -558.292
Base-Backbone interact. energy: -2.079
local terms energy: -650.400033
where:
bonds (distance) C4'-P energy: -151.182
bonds (distance) P-C4' energy: -127.039
flat angles C4'-P-C4' energy: -154.811
flat angles P-C4'-P energy: -70.458
tors. eta vs tors. theta energy: -146.910
Dist. restrs. and SS energy: 4.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -1893.645059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.645059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.160853 (E_RNA)
where:
Base-Base interactions energy: -1295.049
where: short stacking energy: -538.009
Base-Backbone interact. energy: 1.702
local terms energy: -601.813629
where:
bonds (distance) C4'-P energy: -125.625
bonds (distance) P-C4' energy: -130.441
flat angles C4'-P-C4' energy: -125.427
flat angles P-C4'-P energy: -83.451
tors. eta vs tors. theta energy: -136.869
Dist. restrs. and SS energy: 1.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -1687.835068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.835068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.265541 (E_RNA)
where:
Base-Base interactions energy: -1143.480
where: short stacking energy: -515.177
Base-Backbone interact. energy: -0.728
local terms energy: -564.057575
where:
bonds (distance) C4'-P energy: -123.180
bonds (distance) P-C4' energy: -113.202
flat angles C4'-P-C4' energy: -133.975
flat angles P-C4'-P energy: -70.995
tors. eta vs tors. theta energy: -122.706
Dist. restrs. and SS energy: 20.430 (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: 4
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -2647.532606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.532606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.944396 (E_RNA)
where:
Base-Base interactions energy: -1776.950
where: short stacking energy: -780.795
Base-Backbone interact. energy: -1.975
local terms energy: -871.019773
where:
bonds (distance) C4'-P energy: -161.991
bonds (distance) P-C4' energy: -166.508
flat angles C4'-P-C4' energy: -186.726
flat angles P-C4'-P energy: -132.392
tors. eta vs tors. theta energy: -223.403
Dist. restrs. and SS energy: 2.412 (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: 7
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -2586.207314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.207314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.448695 (E_RNA)
where:
Base-Base interactions energy: -1731.694
where: short stacking energy: -783.368
Base-Backbone interact. energy: -1.254
local terms energy: -855.500445
where:
bonds (distance) C4'-P energy: -145.238
bonds (distance) P-C4' energy: -171.864
flat angles C4'-P-C4' energy: -195.656
flat angles P-C4'-P energy: -121.044
tors. eta vs tors. theta energy: -221.700
Dist. restrs. and SS energy: 2.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -2405.252486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.252486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.945961 (E_RNA)
where:
Base-Base interactions energy: -1601.254
where: short stacking energy: -725.194
Base-Backbone interact. energy: -0.013
local terms energy: -805.678729
where:
bonds (distance) C4'-P energy: -139.176
bonds (distance) P-C4' energy: -164.336
flat angles C4'-P-C4' energy: -174.154
flat angles P-C4'-P energy: -120.424
tors. eta vs tors. theta energy: -207.590
Dist. restrs. and SS energy: 1.693 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -2285.482782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.482782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.414672 (E_RNA)
where:
Base-Base interactions energy: -1560.242
where: short stacking energy: -676.532
Base-Backbone interact. energy: 4.172
local terms energy: -740.344306
where:
bonds (distance) C4'-P energy: -125.670
bonds (distance) P-C4' energy: -144.841
flat angles C4'-P-C4' energy: -169.797
flat angles P-C4'-P energy: -112.756
tors. eta vs tors. theta energy: -187.280
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: 5, replica: 10
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -2163.625818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.625818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.854523 (E_RNA)
where:
Base-Base interactions energy: -1446.976
where: short stacking energy: -649.708
Base-Backbone interact. energy: 1.726
local terms energy: -724.604687
where:
bonds (distance) C4'-P energy: -138.931
bonds (distance) P-C4' energy: -148.108
flat angles C4'-P-C4' energy: -158.614
flat angles P-C4'-P energy: -103.029
tors. eta vs tors. theta energy: -175.923
Dist. restrs. and SS energy: 6.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -2147.934859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.934859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.910781 (E_RNA)
where:
Base-Base interactions energy: -1450.534
where: short stacking energy: -605.485
Base-Backbone interact. energy: 0.212
local terms energy: -701.589543
where:
bonds (distance) C4'-P energy: -144.695
bonds (distance) P-C4' energy: -136.717
flat angles C4'-P-C4' energy: -162.850
flat angles P-C4'-P energy: -101.715
tors. eta vs tors. theta energy: -155.613
Dist. restrs. and SS energy: 3.976 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -2037.636028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.636028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.280375 (E_RNA)
where:
Base-Base interactions energy: -1371.675
where: short stacking energy: -586.764
Base-Backbone interact. energy: -0.679
local terms energy: -668.926549
where:
bonds (distance) C4'-P energy: -132.758
bonds (distance) P-C4' energy: -152.731
flat angles C4'-P-C4' energy: -146.949
flat angles P-C4'-P energy: -92.531
tors. eta vs tors. theta energy: -143.957
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: 8, replica: 8
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -1942.167119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.167119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.585463 (E_RNA)
where:
Base-Base interactions energy: -1328.234
where: short stacking energy: -564.805
Base-Backbone interact. energy: -2.456
local terms energy: -618.895604
where:
bonds (distance) C4'-P energy: -117.225
bonds (distance) P-C4' energy: -132.374
flat angles C4'-P-C4' energy: -135.402
flat angles P-C4'-P energy: -91.005
tors. eta vs tors. theta energy: -142.889
Dist. restrs. and SS energy: 7.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -1875.143770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.143770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.374146 (E_RNA)
where:
Base-Base interactions energy: -1268.757
where: short stacking energy: -542.123
Base-Backbone interact. energy: -1.485
local terms energy: -610.131930
where:
bonds (distance) C4'-P energy: -137.847
bonds (distance) P-C4' energy: -133.134
flat angles C4'-P-C4' energy: -128.272
flat angles P-C4'-P energy: -76.574
tors. eta vs tors. theta energy: -134.305
Dist. restrs. and SS energy: 5.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -1710.549117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.549117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.656887 (E_RNA)
where:
Base-Base interactions energy: -1150.800
where: short stacking energy: -481.311
Base-Backbone interact. energy: -1.773
local terms energy: -571.083567
where:
bonds (distance) C4'-P energy: -139.201
bonds (distance) P-C4' energy: -121.630
flat angles C4'-P-C4' energy: -127.270
flat angles P-C4'-P energy: -72.950
tors. eta vs tors. theta energy: -110.033
Dist. restrs. and SS energy: 13.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -2619.467164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.467164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.984486 (E_RNA)
where:
Base-Base interactions energy: -1769.181
where: short stacking energy: -787.642
Base-Backbone interact. energy: -2.598
local terms energy: -849.205497
where:
bonds (distance) C4'-P energy: -160.677
bonds (distance) P-C4' energy: -156.859
flat angles C4'-P-C4' energy: -196.593
flat angles P-C4'-P energy: -118.651
tors. eta vs tors. theta energy: -216.425
Dist. restrs. and SS energy: 1.517 (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: 25
Temperature: 0.950000
Total energy: -2539.950690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.950690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.597014 (E_RNA)
where:
Base-Base interactions energy: -1719.466
where: short stacking energy: -758.187
Base-Backbone interact. energy: 4.837
local terms energy: -828.967335
where:
bonds (distance) C4'-P energy: -164.155
bonds (distance) P-C4' energy: -158.623
flat angles C4'-P-C4' energy: -188.896
flat angles P-C4'-P energy: -116.359
tors. eta vs tors. theta energy: -200.934
Dist. restrs. and SS energy: 3.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -2470.083771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.083771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.204071 (E_RNA)
where:
Base-Base interactions energy: -1662.769
where: short stacking energy: -737.547
Base-Backbone interact. energy: -2.798
local terms energy: -805.636722
where:
bonds (distance) C4'-P energy: -148.181
bonds (distance) P-C4' energy: -157.414
flat angles C4'-P-C4' energy: -177.964
flat angles P-C4'-P energy: -122.521
tors. eta vs tors. theta energy: -199.556
Dist. restrs. and SS energy: 1.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -2272.020476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.020476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.821014 (E_RNA)
where:
Base-Base interactions energy: -1536.875
where: short stacking energy: -650.844
Base-Backbone interact. energy: -1.340
local terms energy: -740.605330
where:
bonds (distance) C4'-P energy: -139.138
bonds (distance) P-C4' energy: -151.185
flat angles C4'-P-C4' energy: -170.689
flat angles P-C4'-P energy: -104.164
tors. eta vs tors. theta energy: -175.429
Dist. restrs. and SS energy: 6.801 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -2167.804883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.804883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.742878 (E_RNA)
where:
Base-Base interactions energy: -1438.398
where: short stacking energy: -636.147
Base-Backbone interact. energy: -2.115
local terms energy: -734.230090
where:
bonds (distance) C4'-P energy: -132.515
bonds (distance) P-C4' energy: -151.806
flat angles C4'-P-C4' energy: -158.232
flat angles P-C4'-P energy: -113.491
tors. eta vs tors. theta energy: -178.186
Dist. restrs. and SS energy: 6.938 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -2133.343938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.343938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.436761 (E_RNA)
where:
Base-Base interactions energy: -1446.630
where: short stacking energy: -632.371
Base-Backbone interact. energy: -1.898
local terms energy: -686.908695
where:
bonds (distance) C4'-P energy: -142.851
bonds (distance) P-C4' energy: -134.695
flat angles C4'-P-C4' energy: -139.793
flat angles P-C4'-P energy: -99.154
tors. eta vs tors. theta energy: -170.416
Dist. restrs. and SS energy: 2.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -2016.552549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.552549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.145289 (E_RNA)
where:
Base-Base interactions energy: -1393.150
where: short stacking energy: -582.774
Base-Backbone interact. energy: 2.687
local terms energy: -628.682083
where:
bonds (distance) C4'-P energy: -115.050
bonds (distance) P-C4' energy: -135.968
flat angles C4'-P-C4' energy: -145.746
flat angles P-C4'-P energy: -109.852
tors. eta vs tors. theta energy: -122.066
Dist. restrs. and SS energy: 2.593 (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: 8
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -1963.009588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.009588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.648108 (E_RNA)
where:
Base-Base interactions energy: -1312.963
where: short stacking energy: -575.370
Base-Backbone interact. energy: -2.508
local terms energy: -656.176282
where:
bonds (distance) C4'-P energy: -126.770
bonds (distance) P-C4' energy: -133.967
flat angles C4'-P-C4' energy: -149.163
flat angles P-C4'-P energy: -89.440
tors. eta vs tors. theta energy: -156.837
Dist. restrs. and SS energy: 8.639 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -1879.627102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.627102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.339797 (E_RNA)
where:
Base-Base interactions energy: -1267.658
where: short stacking energy: -524.963
Base-Backbone interact. energy: -3.110
local terms energy: -612.571532
where:
bonds (distance) C4'-P energy: -140.644
bonds (distance) P-C4' energy: -113.500
flat angles C4'-P-C4' energy: -129.230
flat angles P-C4'-P energy: -88.091
tors. eta vs tors. theta energy: -141.107
Dist. restrs. and SS energy: 3.713 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -1767.393222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.393222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.968953 (E_RNA)
where:
Base-Base interactions energy: -1181.076
where: short stacking energy: -513.997
Base-Backbone interact. energy: -5.169
local terms energy: -592.723684
where:
bonds (distance) C4'-P energy: -108.479
bonds (distance) P-C4' energy: -124.211
flat angles C4'-P-C4' energy: -129.254
flat angles P-C4'-P energy: -95.664
tors. eta vs tors. theta energy: -135.115
Dist. restrs. and SS energy: 11.576 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -2639.337481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.337481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.602797 (E_RNA)
where:
Base-Base interactions energy: -1789.105
where: short stacking energy: -794.639
Base-Backbone interact. energy: 0.025
local terms energy: -851.522805
where:
bonds (distance) C4'-P energy: -149.254
bonds (distance) P-C4' energy: -160.824
flat angles C4'-P-C4' energy: -186.598
flat angles P-C4'-P energy: -131.854
tors. eta vs tors. theta energy: -222.992
Dist. restrs. and SS energy: 1.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -2557.252084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.252084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.539526 (E_RNA)
where:
Base-Base interactions energy: -1731.601
where: short stacking energy: -777.400
Base-Backbone interact. energy: -2.360
local terms energy: -825.577635
where:
bonds (distance) C4'-P energy: -150.893
bonds (distance) P-C4' energy: -164.085
flat angles C4'-P-C4' energy: -175.118
flat angles P-C4'-P energy: -120.054
tors. eta vs tors. theta energy: -215.428
Dist. restrs. and SS energy: 2.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -2441.209171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.209171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.578611 (E_RNA)
where:
Base-Base interactions energy: -1659.235
where: short stacking energy: -733.494
Base-Backbone interact. energy: -0.976
local terms energy: -782.367823
where:
bonds (distance) C4'-P energy: -133.622
bonds (distance) P-C4' energy: -149.083
flat angles C4'-P-C4' energy: -172.104
flat angles P-C4'-P energy: -119.315
tors. eta vs tors. theta energy: -208.242
Dist. restrs. and SS energy: 1.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -2329.333312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.333312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.776075 (E_RNA)
where:
Base-Base interactions energy: -1561.939
where: short stacking energy: -678.141
Base-Backbone interact. energy: -3.003
local terms energy: -771.833998
where:
bonds (distance) C4'-P energy: -151.087
bonds (distance) P-C4' energy: -162.376
flat angles C4'-P-C4' energy: -173.933
flat angles P-C4'-P energy: -97.094
tors. eta vs tors. theta energy: -187.344
Dist. restrs. and SS energy: 7.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -2188.580340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.580340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.021417 (E_RNA)
where:
Base-Base interactions energy: -1454.668
where: short stacking energy: -639.005
Base-Backbone interact. energy: 1.563
local terms energy: -738.916518
where:
bonds (distance) C4'-P energy: -160.508
bonds (distance) P-C4' energy: -172.719
flat angles C4'-P-C4' energy: -156.174
flat angles P-C4'-P energy: -80.953
tors. eta vs tors. theta energy: -168.562
Dist. restrs. and SS energy: 3.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -2079.803964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.803964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.673785 (E_RNA)
where:
Base-Base interactions energy: -1363.861
where: short stacking energy: -618.503
Base-Backbone interact. energy: -2.517
local terms energy: -719.295015
where:
bonds (distance) C4'-P energy: -140.694
bonds (distance) P-C4' energy: -158.475
flat angles C4'-P-C4' energy: -150.067
flat angles P-C4'-P energy: -90.551
tors. eta vs tors. theta energy: -179.508
Dist. restrs. and SS energy: 5.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -2071.615487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.615487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.039389 (E_RNA)
where:
Base-Base interactions energy: -1383.780
where: short stacking energy: -601.286
Base-Backbone interact. energy: -1.319
local terms energy: -687.941055
where:
bonds (distance) C4'-P energy: -137.153
bonds (distance) P-C4' energy: -140.310
flat angles C4'-P-C4' energy: -156.149
flat angles P-C4'-P energy: -88.806
tors. eta vs tors. theta energy: -165.523
Dist. restrs. and SS energy: 1.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -1889.719473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.719473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.827386 (E_RNA)
where:
Base-Base interactions energy: -1284.083
where: short stacking energy: -538.998
Base-Backbone interact. energy: -3.948
local terms energy: -612.796244
where:
bonds (distance) C4'-P energy: -122.920
bonds (distance) P-C4' energy: -150.687
flat angles C4'-P-C4' energy: -153.464
flat angles P-C4'-P energy: -66.507
tors. eta vs tors. theta energy: -119.218
Dist. restrs. and SS energy: 11.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -1880.700690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.700690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.966760 (E_RNA)
where:
Base-Base interactions energy: -1270.960
where: short stacking energy: -544.686
Base-Backbone interact. energy: -0.843
local terms energy: -613.163329
where:
bonds (distance) C4'-P energy: -139.125
bonds (distance) P-C4' energy: -125.347
flat angles C4'-P-C4' energy: -124.168
flat angles P-C4'-P energy: -90.308
tors. eta vs tors. theta energy: -134.217
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: 10, replica: 3
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -1836.670630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.670630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.425499 (E_RNA)
where:
Base-Base interactions energy: -1221.983
where: short stacking energy: -484.510
Base-Backbone interact. energy: -2.971
local terms energy: -615.471467
where:
bonds (distance) C4'-P energy: -119.847
bonds (distance) P-C4' energy: -127.167
flat angles C4'-P-C4' energy: -139.528
flat angles P-C4'-P energy: -95.746
tors. eta vs tors. theta energy: -133.183
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: 1, replica: 4
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -2651.521658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.521658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.914985 (E_RNA)
where:
Base-Base interactions energy: -1792.254
where: short stacking energy: -769.371
Base-Backbone interact. energy: -0.466
local terms energy: -860.194334
where:
bonds (distance) C4'-P energy: -148.621
bonds (distance) P-C4' energy: -178.176
flat angles C4'-P-C4' energy: -183.391
flat angles P-C4'-P energy: -127.904
tors. eta vs tors. theta energy: -222.102
Dist. restrs. and SS energy: 1.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -2569.108808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.108808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.144271 (E_RNA)
where:
Base-Base interactions energy: -1742.170
where: short stacking energy: -779.351
Base-Backbone interact. energy: -4.683
local terms energy: -825.291151
where:
bonds (distance) C4'-P energy: -148.069
bonds (distance) P-C4' energy: -163.384
flat angles C4'-P-C4' energy: -177.418
flat angles P-C4'-P energy: -119.201
tors. eta vs tors. theta energy: -217.219
Dist. restrs. and SS energy: 3.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -2441.566143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.566143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.790337 (E_RNA)
where:
Base-Base interactions energy: -1663.157
where: short stacking energy: -744.703
Base-Backbone interact. energy: 4.752
local terms energy: -784.385750
where:
bonds (distance) C4'-P energy: -161.000
bonds (distance) P-C4' energy: -141.079
flat angles C4'-P-C4' energy: -174.545
flat angles P-C4'-P energy: -100.189
tors. eta vs tors. theta energy: -207.572
Dist. restrs. and SS energy: 1.224 (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: 9
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -2366.165881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.165881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.531521 (E_RNA)
where:
Base-Base interactions energy: -1635.433
where: short stacking energy: -704.361
Base-Backbone interact. energy: 0.464
local terms energy: -734.562811
where:
bonds (distance) C4'-P energy: -125.710
bonds (distance) P-C4' energy: -149.797
flat angles C4'-P-C4' energy: -166.188
flat angles P-C4'-P energy: -107.857
tors. eta vs tors. theta energy: -185.011
Dist. restrs. and SS energy: 3.366 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -2223.636853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.636853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.087848 (E_RNA)
where:
Base-Base interactions energy: -1486.047
where: short stacking energy: -660.800
Base-Backbone interact. energy: 0.232
local terms energy: -739.272602
where:
bonds (distance) C4'-P energy: -141.875
bonds (distance) P-C4' energy: -149.491
flat angles C4'-P-C4' energy: -148.905
flat angles P-C4'-P energy: -105.032
tors. eta vs tors. theta energy: -193.969
Dist. restrs. and SS energy: 1.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -2127.747873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.747873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.682377 (E_RNA)
where:
Base-Base interactions energy: -1421.191
where: short stacking energy: -636.095
Base-Backbone interact. energy: -1.826
local terms energy: -706.665138
where:
bonds (distance) C4'-P energy: -124.445
bonds (distance) P-C4' energy: -120.990
flat angles C4'-P-C4' energy: -169.226
flat angles P-C4'-P energy: -113.746
tors. eta vs tors. theta energy: -178.258
Dist. restrs. and SS energy: 1.935 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -2018.427945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.427945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.156289 (E_RNA)
where:
Base-Base interactions energy: -1320.457
where: short stacking energy: -555.322
Base-Backbone interact. energy: -4.727
local terms energy: -702.972514
where:
bonds (distance) C4'-P energy: -137.555
bonds (distance) P-C4' energy: -156.595
flat angles C4'-P-C4' energy: -163.811
flat angles P-C4'-P energy: -96.354
tors. eta vs tors. theta energy: -148.657
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: 8, replica: 5
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -1973.082079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.082079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.418554 (E_RNA)
where:
Base-Base interactions energy: -1335.105
where: short stacking energy: -569.033
Base-Backbone interact. energy: -0.875
local terms energy: -639.438802
where:
bonds (distance) C4'-P energy: -129.415
bonds (distance) P-C4' energy: -135.598
flat angles C4'-P-C4' energy: -144.205
flat angles P-C4'-P energy: -91.197
tors. eta vs tors. theta energy: -139.025
Dist. restrs. and SS energy: 2.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -1878.366775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.366775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.604237 (E_RNA)
where:
Base-Base interactions energy: -1279.335
where: short stacking energy: -564.347
Base-Backbone interact. energy: -2.700
local terms energy: -602.569390
where:
bonds (distance) C4'-P energy: -109.027
bonds (distance) P-C4' energy: -131.712
flat angles C4'-P-C4' energy: -144.501
flat angles P-C4'-P energy: -83.996
tors. eta vs tors. theta energy: -133.334
Dist. restrs. and SS energy: 6.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -1844.520832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.520832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.682228 (E_RNA)
where:
Base-Base interactions energy: -1264.898
where: short stacking energy: -516.597
Base-Backbone interact. energy: -1.094
local terms energy: -581.689834
where:
bonds (distance) C4'-P energy: -108.400
bonds (distance) P-C4' energy: -127.823
flat angles C4'-P-C4' energy: -130.281
flat angles P-C4'-P energy: -76.794
tors. eta vs tors. theta energy: -138.392
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: 1, replica: 4
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -2654.143728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.143728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.871288 (E_RNA)
where:
Base-Base interactions energy: -1797.786
where: short stacking energy: -784.217
Base-Backbone interact. energy: -2.764
local terms energy: -855.321402
where:
bonds (distance) C4'-P energy: -164.551
bonds (distance) P-C4' energy: -155.744
flat angles C4'-P-C4' energy: -186.380
flat angles P-C4'-P energy: -120.831
tors. eta vs tors. theta energy: -227.816
Dist. restrs. and SS energy: 1.728 (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: 7
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -2569.135858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.135858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.419570 (E_RNA)
where:
Base-Base interactions energy: -1767.463
where: short stacking energy: -753.929
Base-Backbone interact. energy: -1.000
local terms energy: -802.956487
where:
bonds (distance) C4'-P energy: -155.486
bonds (distance) P-C4' energy: -147.353
flat angles C4'-P-C4' energy: -181.197
flat angles P-C4'-P energy: -111.728
tors. eta vs tors. theta energy: -207.193
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: 3, replica: 9
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -2458.950662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.950662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.243760 (E_RNA)
where:
Base-Base interactions energy: -1670.409
where: short stacking energy: -721.086
Base-Backbone interact. energy: -3.183
local terms energy: -788.651247
where:
bonds (distance) C4'-P energy: -151.800
bonds (distance) P-C4' energy: -142.102
flat angles C4'-P-C4' energy: -177.686
flat angles P-C4'-P energy: -105.005
tors. eta vs tors. theta energy: -212.059
Dist. restrs. and SS energy: 3.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -2359.604334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.604334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.560821 (E_RNA)
where:
Base-Base interactions energy: -1586.446
where: short stacking energy: -675.136
Base-Backbone interact. energy: -1.371
local terms energy: -773.743422
where:
bonds (distance) C4'-P energy: -141.171
bonds (distance) P-C4' energy: -157.401
flat angles C4'-P-C4' energy: -169.791
flat angles P-C4'-P energy: -114.925
tors. eta vs tors. theta energy: -190.456
Dist. restrs. and SS energy: 1.956 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -2224.654706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.654706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.060207 (E_RNA)
where:
Base-Base interactions energy: -1477.003
where: short stacking energy: -654.275
Base-Backbone interact. energy: -2.065
local terms energy: -746.992766
where:
bonds (distance) C4'-P energy: -140.501
bonds (distance) P-C4' energy: -150.211
flat angles C4'-P-C4' energy: -158.405
flat angles P-C4'-P energy: -115.429
tors. eta vs tors. theta energy: -182.446
Dist. restrs. and SS energy: 1.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -2129.856444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.856444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.196162 (E_RNA)
where:
Base-Base interactions energy: -1424.110
where: short stacking energy: -612.916
Base-Backbone interact. energy: -1.795
local terms energy: -706.291371
where:
bonds (distance) C4'-P energy: -130.986
bonds (distance) P-C4' energy: -165.612
flat angles C4'-P-C4' energy: -149.478
flat angles P-C4'-P energy: -97.036
tors. eta vs tors. theta energy: -163.180
Dist. restrs. and SS energy: 2.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -2132.339292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.339292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.513466 (E_RNA)
where:
Base-Base interactions energy: -1387.744
where: short stacking energy: -644.349
Base-Backbone interact. energy: -2.263
local terms energy: -743.506110
where:
bonds (distance) C4'-P energy: -147.608
bonds (distance) P-C4' energy: -155.311
flat angles C4'-P-C4' energy: -153.042
flat angles P-C4'-P energy: -105.605
tors. eta vs tors. theta energy: -181.940
Dist. restrs. and SS energy: 1.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -1947.156130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.156130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.577616 (E_RNA)
where:
Base-Base interactions energy: -1306.378
where: short stacking energy: -561.250
Base-Backbone interact. energy: -1.280
local terms energy: -651.920489
where:
bonds (distance) C4'-P energy: -126.152
bonds (distance) P-C4' energy: -145.702
flat angles C4'-P-C4' energy: -145.293
flat angles P-C4'-P energy: -91.677
tors. eta vs tors. theta energy: -143.097
Dist. restrs. and SS energy: 12.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -1891.402359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.402359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.528609 (E_RNA)
where:
Base-Base interactions energy: -1309.651
where: short stacking energy: -569.553
Base-Backbone interact. energy: 2.321
local terms energy: -588.198701
where:
bonds (distance) C4'-P energy: -122.534
bonds (distance) P-C4' energy: -109.285
flat angles C4'-P-C4' energy: -124.969
flat angles P-C4'-P energy: -78.419
tors. eta vs tors. theta energy: -152.992
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: 10, replica: 3
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -1852.762391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.762391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.729369 (E_RNA)
where:
Base-Base interactions energy: -1230.851
where: short stacking energy: -519.359
Base-Backbone interact. energy: -0.844
local terms energy: -626.034676
where:
bonds (distance) C4'-P energy: -126.410
bonds (distance) P-C4' energy: -115.795
flat angles C4'-P-C4' energy: -147.703
flat angles P-C4'-P energy: -78.780
tors. eta vs tors. theta energy: -157.348
Dist. restrs. and SS energy: 4.967 (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: 4
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -2652.746990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.746990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.424405 (E_RNA)
where:
Base-Base interactions energy: -1815.920
where: short stacking energy: -826.384
Base-Backbone interact. energy: -0.615
local terms energy: -837.890210
where:
bonds (distance) C4'-P energy: -166.413
bonds (distance) P-C4' energy: -151.781
flat angles C4'-P-C4' energy: -173.545
flat angles P-C4'-P energy: -120.295
tors. eta vs tors. theta energy: -225.856
Dist. restrs. and SS energy: 1.677 (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: 7
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -2576.351525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.351525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.987775 (E_RNA)
where:
Base-Base interactions energy: -1730.761
where: short stacking energy: -738.191
Base-Backbone interact. energy: 3.414
local terms energy: -851.640730
where:
bonds (distance) C4'-P energy: -162.154
bonds (distance) P-C4' energy: -164.603
flat angles C4'-P-C4' energy: -183.541
flat angles P-C4'-P energy: -127.680
tors. eta vs tors. theta energy: -213.662
Dist. restrs. and SS energy: 2.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -2392.503993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.503993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.885640 (E_RNA)
where:
Base-Base interactions energy: -1644.577
where: short stacking energy: -678.288
Base-Backbone interact. energy: -2.624
local terms energy: -748.685409
where:
bonds (distance) C4'-P energy: -137.130
bonds (distance) P-C4' energy: -150.783
flat angles C4'-P-C4' energy: -172.638
flat angles P-C4'-P energy: -114.341
tors. eta vs tors. theta energy: -173.792
Dist. restrs. and SS energy: 3.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -2352.829475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.829475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.750179 (E_RNA)
where:
Base-Base interactions energy: -1564.828
where: short stacking energy: -686.968
Base-Backbone interact. energy: -4.423
local terms energy: -785.499111
where:
bonds (distance) C4'-P energy: -138.637
bonds (distance) P-C4' energy: -151.889
flat angles C4'-P-C4' energy: -177.810
flat angles P-C4'-P energy: -118.722
tors. eta vs tors. theta energy: -198.442
Dist. restrs. and SS energy: 1.921 (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: 2
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -2196.275363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.275363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.127778 (E_RNA)
where:
Base-Base interactions energy: -1503.020
where: short stacking energy: -652.944
Base-Backbone interact. energy: -0.182
local terms energy: -695.926048
where:
bonds (distance) C4'-P energy: -126.697
bonds (distance) P-C4' energy: -135.090
flat angles C4'-P-C4' energy: -162.856
flat angles P-C4'-P energy: -101.681
tors. eta vs tors. theta energy: -169.602
Dist. restrs. and SS energy: 2.852 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -2155.684756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.684756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.202996 (E_RNA)
where:
Base-Base interactions energy: -1449.300
where: short stacking energy: -641.367
Base-Backbone interact. energy: -2.029
local terms energy: -705.873383
where:
bonds (distance) C4'-P energy: -130.962
bonds (distance) P-C4' energy: -140.689
flat angles C4'-P-C4' energy: -165.963
flat angles P-C4'-P energy: -90.070
tors. eta vs tors. theta energy: -178.189
Dist. restrs. and SS energy: 1.518 (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: 1
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -2095.921866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.921866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.728823 (E_RNA)
where:
Base-Base interactions energy: -1433.297
where: short stacking energy: -611.571
Base-Backbone interact. energy: -3.240
local terms energy: -662.192168
where:
bonds (distance) C4'-P energy: -117.488
bonds (distance) P-C4' energy: -139.167
flat angles C4'-P-C4' energy: -155.250
flat angles P-C4'-P energy: -99.172
tors. eta vs tors. theta energy: -151.116
Dist. restrs. and SS energy: 2.807 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -1992.076385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.076385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.824324 (E_RNA)
where:
Base-Base interactions energy: -1337.333
where: short stacking energy: -555.019
Base-Backbone interact. energy: -2.393
local terms energy: -655.098334
where:
bonds (distance) C4'-P energy: -126.280
bonds (distance) P-C4' energy: -145.524
flat angles C4'-P-C4' energy: -154.288
flat angles P-C4'-P energy: -94.880
tors. eta vs tors. theta energy: -134.126
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: 9, replica: 10
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -1816.613046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.613046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.465132 (E_RNA)
where:
Base-Base interactions energy: -1231.023
where: short stacking energy: -493.335
Base-Backbone interact. energy: -2.422
local terms energy: -589.019921
where:
bonds (distance) C4'-P energy: -134.103
bonds (distance) P-C4' energy: -140.156
flat angles C4'-P-C4' energy: -123.383
flat angles P-C4'-P energy: -76.648
tors. eta vs tors. theta energy: -114.729
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: 10, replica: 3
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -1869.085669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.085669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.737113 (E_RNA)
where:
Base-Base interactions energy: -1281.600
where: short stacking energy: -532.532
Base-Backbone interact. energy: -1.900
local terms energy: -595.237764
where:
bonds (distance) C4'-P energy: -112.011
bonds (distance) P-C4' energy: -131.046
flat angles C4'-P-C4' energy: -128.683
flat angles P-C4'-P energy: -78.090
tors. eta vs tors. theta energy: -145.408
Dist. restrs. and SS energy: 9.651 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -2672.738949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.738949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.225871 (E_RNA)
where:
Base-Base interactions energy: -1823.840
where: short stacking energy: -805.493
Base-Backbone interact. energy: -2.031
local terms energy: -848.354052
where:
bonds (distance) C4'-P energy: -171.289
bonds (distance) P-C4' energy: -157.945
flat angles C4'-P-C4' energy: -176.338
flat angles P-C4'-P energy: -118.699
tors. eta vs tors. theta energy: -224.083
Dist. restrs. and SS energy: 1.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -2543.460176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.460176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.747033 (E_RNA)
where:
Base-Base interactions energy: -1731.145
where: short stacking energy: -757.326
Base-Backbone interact. energy: -5.565
local terms energy: -809.037220
where:
bonds (distance) C4'-P energy: -144.808
bonds (distance) P-C4' energy: -163.234
flat angles C4'-P-C4' energy: -181.795
flat angles P-C4'-P energy: -111.306
tors. eta vs tors. theta energy: -207.894
Dist. restrs. and SS energy: 2.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -2472.452932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.452932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.690255 (E_RNA)
where:
Base-Base interactions energy: -1677.836
where: short stacking energy: -720.448
Base-Backbone interact. energy: 0.593
local terms energy: -798.447114
where:
bonds (distance) C4'-P energy: -154.702
bonds (distance) P-C4' energy: -153.440
flat angles C4'-P-C4' energy: -174.140
flat angles P-C4'-P energy: -112.679
tors. eta vs tors. theta energy: -203.486
Dist. restrs. and SS energy: 3.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -2343.810018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.810018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.581631 (E_RNA)
where:
Base-Base interactions energy: -1561.403
where: short stacking energy: -690.400
Base-Backbone interact. energy: -5.653
local terms energy: -780.526507
where:
bonds (distance) C4'-P energy: -151.552
bonds (distance) P-C4' energy: -160.770
flat angles C4'-P-C4' energy: -170.655
flat angles P-C4'-P energy: -98.090
tors. eta vs tors. theta energy: -199.459
Dist. restrs. and SS energy: 3.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -2219.699814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.699814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.513190 (E_RNA)
where:
Base-Base interactions energy: -1483.615
where: short stacking energy: -688.053
Base-Backbone interact. energy: -0.500
local terms energy: -737.398198
where:
bonds (distance) C4'-P energy: -137.109
bonds (distance) P-C4' energy: -148.019
flat angles C4'-P-C4' energy: -162.352
flat angles P-C4'-P energy: -100.372
tors. eta vs tors. theta energy: -189.546
Dist. restrs. and SS energy: 1.813 (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: 2
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -2145.742286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.742286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.723682 (E_RNA)
where:
Base-Base interactions energy: -1468.688
where: short stacking energy: -655.752
Base-Backbone interact. energy: 0.757
local terms energy: -679.793091
where:
bonds (distance) C4'-P energy: -116.228
bonds (distance) P-C4' energy: -132.767
flat angles C4'-P-C4' energy: -150.996
flat angles P-C4'-P energy: -91.425
tors. eta vs tors. theta energy: -188.376
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: 7, replica: 1
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -2092.622214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.622214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.123484 (E_RNA)
where:
Base-Base interactions energy: -1445.035
where: short stacking energy: -611.295
Base-Backbone interact. energy: 0.439
local terms energy: -650.527620
where:
bonds (distance) C4'-P energy: -114.913
bonds (distance) P-C4' energy: -140.304
flat angles C4'-P-C4' energy: -148.843
flat angles P-C4'-P energy: -86.804
tors. eta vs tors. theta energy: -159.664
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: 8, replica: 8
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -1961.583050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.583050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.210733 (E_RNA)
where:
Base-Base interactions energy: -1343.121
where: short stacking energy: -578.745
Base-Backbone interact. energy: 6.503
local terms energy: -628.592318
where:
bonds (distance) C4'-P energy: -127.875
bonds (distance) P-C4' energy: -133.005
flat angles C4'-P-C4' energy: -154.423
flat angles P-C4'-P energy: -71.097
tors. eta vs tors. theta energy: -142.192
Dist. restrs. and SS energy: 3.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -1938.370108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.370108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.984710 (E_RNA)
where:
Base-Base interactions energy: -1302.951
where: short stacking energy: -567.560
Base-Backbone interact. energy: -3.083
local terms energy: -634.950857
where:
bonds (distance) C4'-P energy: -122.926
bonds (distance) P-C4' energy: -131.932
flat angles C4'-P-C4' energy: -152.684
flat angles P-C4'-P energy: -77.899
tors. eta vs tors. theta energy: -149.509
Dist. restrs. and SS energy: 2.615 (S_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: 30
Temperature: 1.350000
Total energy: -1795.451978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.451978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.314819 (E_RNA)
where:
Base-Base interactions energy: -1214.578
where: short stacking energy: -497.251
Base-Backbone interact. energy: -2.771
local terms energy: -582.966482
where:
bonds (distance) C4'-P energy: -108.126
bonds (distance) P-C4' energy: -129.661
flat angles C4'-P-C4' energy: -130.639
flat angles P-C4'-P energy: -98.557
tors. eta vs tors. theta energy: -115.984
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: 1, replica: 4
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -2678.455238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.455238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.697403 (E_RNA)
where:
Base-Base interactions energy: -1827.421
where: short stacking energy: -797.258
Base-Backbone interact. energy: -3.450
local terms energy: -848.826164
where:
bonds (distance) C4'-P energy: -157.216
bonds (distance) P-C4' energy: -166.819
flat angles C4'-P-C4' energy: -175.454
flat angles P-C4'-P energy: -117.985
tors. eta vs tors. theta energy: -231.351
Dist. restrs. and SS energy: 1.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -2571.646183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.646183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.029195 (E_RNA)
where:
Base-Base interactions energy: -1732.671
where: short stacking energy: -772.040
Base-Backbone interact. energy: 3.456
local terms energy: -843.813722
where:
bonds (distance) C4'-P energy: -171.456
bonds (distance) P-C4' energy: -154.283
flat angles C4'-P-C4' energy: -178.085
flat angles P-C4'-P energy: -119.114
tors. eta vs tors. theta energy: -220.876
Dist. restrs. and SS energy: 1.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -2483.659947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.659947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.937996 (E_RNA)
where:
Base-Base interactions energy: -1688.822
where: short stacking energy: -744.356
Base-Backbone interact. energy: -4.698
local terms energy: -792.417784
where:
bonds (distance) C4'-P energy: -156.203
bonds (distance) P-C4' energy: -151.500
flat angles C4'-P-C4' energy: -175.111
flat angles P-C4'-P energy: -107.650
tors. eta vs tors. theta energy: -201.954
Dist. restrs. and SS energy: 2.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -2326.950113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.950113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.930909 (E_RNA)
where:
Base-Base interactions energy: -1542.069
where: short stacking energy: -703.336
Base-Backbone interact. energy: -1.847
local terms energy: -785.014867
where:
bonds (distance) C4'-P energy: -136.153
bonds (distance) P-C4' energy: -148.621
flat angles C4'-P-C4' energy: -180.042
flat angles P-C4'-P energy: -117.387
tors. eta vs tors. theta energy: -202.812
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: 5, replica: 6
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -2276.218488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.218488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.759554 (E_RNA)
where:
Base-Base interactions energy: -1531.525
where: short stacking energy: -672.290
Base-Backbone interact. energy: -1.691
local terms energy: -744.543997
where:
bonds (distance) C4'-P energy: -141.520
bonds (distance) P-C4' energy: -156.922
flat angles C4'-P-C4' energy: -157.026
flat angles P-C4'-P energy: -100.993
tors. eta vs tors. theta energy: -188.083
Dist. restrs. and SS energy: 1.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -2153.669614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.669614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.114720 (E_RNA)
where:
Base-Base interactions energy: -1465.479
where: short stacking energy: -629.558
Base-Backbone interact. energy: 2.383
local terms energy: -694.018892
where:
bonds (distance) C4'-P energy: -134.369
bonds (distance) P-C4' energy: -138.297
flat angles C4'-P-C4' energy: -154.250
flat angles P-C4'-P energy: -94.328
tors. eta vs tors. theta energy: -172.775
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: 7, replica: 1
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -2034.525086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.525086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.756181 (E_RNA)
where:
Base-Base interactions energy: -1392.886
where: short stacking energy: -579.503
Base-Backbone interact. energy: -0.231
local terms energy: -643.639909
where:
bonds (distance) C4'-P energy: -139.486
bonds (distance) P-C4' energy: -139.077
flat angles C4'-P-C4' energy: -142.233
flat angles P-C4'-P energy: -90.918
tors. eta vs tors. theta energy: -131.926
Dist. restrs. and SS energy: 2.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -1996.321792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.321792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.556382 (E_RNA)
where:
Base-Base interactions energy: -1362.118
where: short stacking energy: -581.875
Base-Backbone interact. energy: -3.093
local terms energy: -633.345350
where:
bonds (distance) C4'-P energy: -112.298
bonds (distance) P-C4' energy: -131.843
flat angles C4'-P-C4' energy: -145.104
flat angles P-C4'-P energy: -92.696
tors. eta vs tors. theta energy: -151.405
Dist. restrs. and SS energy: 2.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -1928.406632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.406632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.019058 (E_RNA)
where:
Base-Base interactions energy: -1295.095
where: short stacking energy: -557.039
Base-Backbone interact. energy: -2.332
local terms energy: -634.592250
where:
bonds (distance) C4'-P energy: -116.090
bonds (distance) P-C4' energy: -123.809
flat angles C4'-P-C4' energy: -158.180
flat angles P-C4'-P energy: -93.353
tors. eta vs tors. theta energy: -143.160
Dist. restrs. and SS energy: 3.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -1843.129713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.129713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.189146 (E_RNA)
where:
Base-Base interactions energy: -1254.240
where: short stacking energy: -536.759
Base-Backbone interact. energy: 0.132
local terms energy: -593.080799
where:
bonds (distance) C4'-P energy: -124.944
bonds (distance) P-C4' energy: -106.755
flat angles C4'-P-C4' energy: -129.984
flat angles P-C4'-P energy: -98.379
tors. eta vs tors. theta energy: -133.019
Dist. restrs. and SS energy: 4.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -2700.815095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.815095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.661927 (E_RNA)
where:
Base-Base interactions energy: -1838.934
where: short stacking energy: -812.594
Base-Backbone interact. energy: -1.607
local terms energy: -862.121788
where:
bonds (distance) C4'-P energy: -158.227
bonds (distance) P-C4' energy: -172.802
flat angles C4'-P-C4' energy: -186.923
flat angles P-C4'-P energy: -120.963
tors. eta vs tors. theta energy: -223.208
Dist. restrs. and SS energy: 1.847 (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: 7
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -2616.419454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.419454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.985173 (E_RNA)
where:
Base-Base interactions energy: -1774.016
where: short stacking energy: -782.199
Base-Backbone interact. energy: -4.190
local terms energy: -841.778941
where:
bonds (distance) C4'-P energy: -153.259
bonds (distance) P-C4' energy: -168.161
flat angles C4'-P-C4' energy: -179.623
flat angles P-C4'-P energy: -126.993
tors. eta vs tors. theta energy: -213.743
Dist. restrs. and SS energy: 3.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -2442.323026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.323026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.247293 (E_RNA)
where:
Base-Base interactions energy: -1674.720
where: short stacking energy: -722.552
Base-Backbone interact. energy: -2.185
local terms energy: -768.342900
where:
bonds (distance) C4'-P energy: -142.562
bonds (distance) P-C4' energy: -166.223
flat angles C4'-P-C4' energy: -157.689
flat angles P-C4'-P energy: -115.327
tors. eta vs tors. theta energy: -186.542
Dist. restrs. and SS energy: 2.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -2340.399308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.399308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.915717 (E_RNA)
where:
Base-Base interactions energy: -1555.035
where: short stacking energy: -688.151
Base-Backbone interact. energy: -3.142
local terms energy: -783.738972
where:
bonds (distance) C4'-P energy: -144.203
bonds (distance) P-C4' energy: -160.127
flat angles C4'-P-C4' energy: -170.377
flat angles P-C4'-P energy: -110.987
tors. eta vs tors. theta energy: -198.045
Dist. restrs. and SS energy: 1.516 (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: 6
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -2213.173187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.173187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.339881 (E_RNA)
where:
Base-Base interactions energy: -1491.318
where: short stacking energy: -654.983
Base-Backbone interact. energy: 2.252
local terms energy: -726.273937
where:
bonds (distance) C4'-P energy: -140.229
bonds (distance) P-C4' energy: -135.347
flat angles C4'-P-C4' energy: -161.656
flat angles P-C4'-P energy: -103.012
tors. eta vs tors. theta energy: -186.030
Dist. restrs. and SS energy: 2.167 (S_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: -2181.847983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.847983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.156218 (E_RNA)
where:
Base-Base interactions energy: -1507.699
where: short stacking energy: -669.702
Base-Backbone interact. energy: 0.211
local terms energy: -677.667976
where:
bonds (distance) C4'-P energy: -112.569
bonds (distance) P-C4' energy: -137.054
flat angles C4'-P-C4' energy: -150.484
flat angles P-C4'-P energy: -107.929
tors. eta vs tors. theta energy: -169.632
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: 7, replica: 1
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -2124.979877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.979877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.039782 (E_RNA)
where:
Base-Base interactions energy: -1432.282
where: short stacking energy: -596.596
Base-Backbone interact. energy: -2.648
local terms energy: -692.110058
where:
bonds (distance) C4'-P energy: -135.533
bonds (distance) P-C4' energy: -154.168
flat angles C4'-P-C4' energy: -131.590
flat angles P-C4'-P energy: -112.338
tors. eta vs tors. theta energy: -158.481
Dist. restrs. and SS energy: 2.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -2028.739255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.739255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.089445 (E_RNA)
where:
Base-Base interactions energy: -1385.690
where: short stacking energy: -593.722
Base-Backbone interact. energy: 0.889
local terms energy: -646.288665
where:
bonds (distance) C4'-P energy: -127.060
bonds (distance) P-C4' energy: -130.180
flat angles C4'-P-C4' energy: -143.653
flat angles P-C4'-P energy: -92.238
tors. eta vs tors. theta energy: -153.158
Dist. restrs. and SS energy: 2.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -1895.622487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.622487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.610413 (E_RNA)
where:
Base-Base interactions energy: -1300.126
where: short stacking energy: -539.222
Base-Backbone interact. energy: 3.032
local terms energy: -602.516691
where:
bonds (distance) C4'-P energy: -127.053
bonds (distance) P-C4' energy: -119.462
flat angles C4'-P-C4' energy: -138.163
flat angles P-C4'-P energy: -94.190
tors. eta vs tors. theta energy: -123.649
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: 10, replica: 10
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -1845.463035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.463035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.258741 (E_RNA)
where:
Base-Base interactions energy: -1270.987
where: short stacking energy: -529.586
Base-Backbone interact. energy: 2.595
local terms energy: -582.866804
where:
bonds (distance) C4'-P energy: -117.021
bonds (distance) P-C4' energy: -119.912
flat angles C4'-P-C4' energy: -117.686
flat angles P-C4'-P energy: -99.169
tors. eta vs tors. theta energy: -129.079
Dist. restrs. and SS energy: 5.796 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -2700.120322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.120322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.213831 (E_RNA)
where:
Base-Base interactions energy: -1818.978
where: short stacking energy: -782.379
Base-Backbone interact. energy: -1.558
local terms energy: -880.677933
where:
bonds (distance) C4'-P energy: -166.629
bonds (distance) P-C4' energy: -151.474
flat angles C4'-P-C4' energy: -193.660
flat angles P-C4'-P energy: -143.718
tors. eta vs tors. theta energy: -225.197
Dist. restrs. and SS energy: 1.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -2613.143931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.143931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.082694 (E_RNA)
where:
Base-Base interactions energy: -1792.297
where: short stacking energy: -764.897
Base-Backbone interact. energy: -1.814
local terms energy: -820.971822
where:
bonds (distance) C4'-P energy: -153.032
bonds (distance) P-C4' energy: -150.409
flat angles C4'-P-C4' energy: -186.030
flat angles P-C4'-P energy: -117.935
tors. eta vs tors. theta energy: -213.566
Dist. restrs. and SS energy: 1.939 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -2478.505542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.505542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.297350 (E_RNA)
where:
Base-Base interactions energy: -1711.693
where: short stacking energy: -696.892
Base-Backbone interact. energy: 3.478
local terms energy: -772.082939
where:
bonds (distance) C4'-P energy: -158.038
bonds (distance) P-C4' energy: -143.098
flat angles C4'-P-C4' energy: -166.034
flat angles P-C4'-P energy: -120.515
tors. eta vs tors. theta energy: -184.398
Dist. restrs. and SS energy: 1.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -2280.654726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.654726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.707229 (E_RNA)
where:
Base-Base interactions energy: -1505.968
where: short stacking energy: -670.712
Base-Backbone interact. energy: -0.652
local terms energy: -776.087272
where:
bonds (distance) C4'-P energy: -154.981
bonds (distance) P-C4' energy: -158.965
flat angles C4'-P-C4' energy: -168.909
flat angles P-C4'-P energy: -104.613
tors. eta vs tors. theta energy: -188.619
Dist. restrs. and SS energy: 2.053 (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: 33
Temperature: 1.100000
Total energy: -2281.455834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.455834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.999097 (E_RNA)
where:
Base-Base interactions energy: -1546.260
where: short stacking energy: -683.228
Base-Backbone interact. energy: -5.861
local terms energy: -730.878251
where:
bonds (distance) C4'-P energy: -130.580
bonds (distance) P-C4' energy: -131.881
flat angles C4'-P-C4' energy: -170.508
flat angles P-C4'-P energy: -104.192
tors. eta vs tors. theta energy: -193.718
Dist. restrs. and SS energy: 1.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -2159.538323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.538323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.838734 (E_RNA)
where:
Base-Base interactions energy: -1502.441
where: short stacking energy: -650.127
Base-Backbone interact. energy: 5.525
local terms energy: -664.922132
where:
bonds (distance) C4'-P energy: -117.777
bonds (distance) P-C4' energy: -140.696
flat angles C4'-P-C4' energy: -146.269
flat angles P-C4'-P energy: -76.024
tors. eta vs tors. theta energy: -184.155
Dist. restrs. and SS energy: 2.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -2120.506923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.506923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.190894 (E_RNA)
where:
Base-Base interactions energy: -1428.015
where: short stacking energy: -613.749
Base-Backbone interact. energy: -4.388
local terms energy: -689.787864
where:
bonds (distance) C4'-P energy: -130.315
bonds (distance) P-C4' energy: -149.870
flat angles C4'-P-C4' energy: -145.471
flat angles P-C4'-P energy: -104.968
tors. eta vs tors. theta energy: -159.165
Dist. restrs. and SS energy: 1.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -1986.879663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.879663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.070420 (E_RNA)
where:
Base-Base interactions energy: -1321.907
where: short stacking energy: -539.066
Base-Backbone interact. energy: -1.195
local terms energy: -666.968121
where:
bonds (distance) C4'-P energy: -133.648
bonds (distance) P-C4' energy: -154.751
flat angles C4'-P-C4' energy: -136.057
flat angles P-C4'-P energy: -101.689
tors. eta vs tors. theta energy: -140.824
Dist. restrs. and SS energy: 3.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -1984.404327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.404327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.056989 (E_RNA)
where:
Base-Base interactions energy: -1356.193
where: short stacking energy: -544.199
Base-Backbone interact. energy: -1.886
local terms energy: -627.977592
where:
bonds (distance) C4'-P energy: -120.814
bonds (distance) P-C4' energy: -141.269
flat angles C4'-P-C4' energy: -134.437
flat angles P-C4'-P energy: -97.899
tors. eta vs tors. theta energy: -133.558
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: 10, replica: 10
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -1810.757292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.757292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.592926 (E_RNA)
where:
Base-Base interactions energy: -1226.606
where: short stacking energy: -516.241
Base-Backbone interact. energy: -2.542
local terms energy: -592.445399
where:
bonds (distance) C4'-P energy: -123.925
bonds (distance) P-C4' energy: -133.082
flat angles C4'-P-C4' energy: -139.027
flat angles P-C4'-P energy: -74.831
tors. eta vs tors. theta energy: -121.581
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: 1, replica: 4
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -2681.054671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.054671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.565621 (E_RNA)
where:
Base-Base interactions energy: -1834.743
where: short stacking energy: -813.780
Base-Backbone interact. energy: -5.028
local terms energy: -842.794618
where:
bonds (distance) C4'-P energy: -146.723
bonds (distance) P-C4' energy: -165.005
flat angles C4'-P-C4' energy: -190.705
flat angles P-C4'-P energy: -129.295
tors. eta vs tors. theta energy: -211.067
Dist. restrs. and SS energy: 1.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -2590.129856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.129856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.857786 (E_RNA)
where:
Base-Base interactions energy: -1755.782
where: short stacking energy: -766.842
Base-Backbone interact. energy: 0.456
local terms energy: -838.531844
where:
bonds (distance) C4'-P energy: -159.283
bonds (distance) P-C4' energy: -159.131
flat angles C4'-P-C4' energy: -183.864
flat angles P-C4'-P energy: -109.068
tors. eta vs tors. theta energy: -227.187
Dist. restrs. and SS energy: 3.728 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -2466.584483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.584483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.144114 (E_RNA)
where:
Base-Base interactions energy: -1693.340
where: short stacking energy: -699.545
Base-Backbone interact. energy: -0.066
local terms energy: -775.738076
where:
bonds (distance) C4'-P energy: -130.728
bonds (distance) P-C4' energy: -148.584
flat angles C4'-P-C4' energy: -171.515
flat angles P-C4'-P energy: -124.001
tors. eta vs tors. theta energy: -200.911
Dist. restrs. and SS energy: 2.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -2286.048839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.048839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.414877 (E_RNA)
where:
Base-Base interactions energy: -1532.687
where: short stacking energy: -686.312
Base-Backbone interact. energy: -2.864
local terms energy: -751.864202
where:
bonds (distance) C4'-P energy: -138.642
bonds (distance) P-C4' energy: -153.971
flat angles C4'-P-C4' energy: -168.285
flat angles P-C4'-P energy: -97.040
tors. eta vs tors. theta energy: -193.926
Dist. restrs. and SS energy: 1.366 (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: 6
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -2274.406847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.406847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.976431 (E_RNA)
where:
Base-Base interactions energy: -1529.491
where: short stacking energy: -657.321
Base-Backbone interact. energy: -0.256
local terms energy: -746.229384
where:
bonds (distance) C4'-P energy: -138.093
bonds (distance) P-C4' energy: -147.121
flat angles C4'-P-C4' energy: -167.756
flat angles P-C4'-P energy: -114.181
tors. eta vs tors. theta energy: -179.078
Dist. restrs. and SS energy: 1.570 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -2116.327091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.327091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.595086 (E_RNA)
where:
Base-Base interactions energy: -1431.409
where: short stacking energy: -622.706
Base-Backbone interact. energy: 4.722
local terms energy: -691.908087
where:
bonds (distance) C4'-P energy: -135.271
bonds (distance) P-C4' energy: -154.484
flat angles C4'-P-C4' energy: -158.914
flat angles P-C4'-P energy: -84.357
tors. eta vs tors. theta energy: -158.882
Dist. restrs. and SS energy: 2.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -2093.495706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.495706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.368978 (E_RNA)
where:
Base-Base interactions energy: -1439.465
where: short stacking energy: -613.556
Base-Backbone interact. energy: 1.018
local terms energy: -656.921629
where:
bonds (distance) C4'-P energy: -125.851
bonds (distance) P-C4' energy: -127.826
flat angles C4'-P-C4' energy: -151.548
flat angles P-C4'-P energy: -87.309
tors. eta vs tors. theta energy: -164.387
Dist. restrs. and SS energy: 1.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -2004.937684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.937684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.387065 (E_RNA)
where:
Base-Base interactions energy: -1332.292
where: short stacking energy: -570.286
Base-Backbone interact. energy: -0.921
local terms energy: -674.174586
where:
bonds (distance) C4'-P energy: -127.881
bonds (distance) P-C4' energy: -130.043
flat angles C4'-P-C4' energy: -171.510
flat angles P-C4'-P energy: -88.025
tors. eta vs tors. theta energy: -156.716
Dist. restrs. and SS energy: 2.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -2032.988047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.988047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.101297 (E_RNA)
where:
Base-Base interactions energy: -1414.914
where: short stacking energy: -583.242
Base-Backbone interact. energy: -0.366
local terms energy: -620.820501
where:
bonds (distance) C4'-P energy: -98.277
bonds (distance) P-C4' energy: -133.255
flat angles C4'-P-C4' energy: -154.537
flat angles P-C4'-P energy: -72.842
tors. eta vs tors. theta energy: -161.909
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: 10, replica: 10
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -1797.815749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.815749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.841651 (E_RNA)
where:
Base-Base interactions energy: -1205.445
where: short stacking energy: -519.472
Base-Backbone interact. energy: -1.577
local terms energy: -596.819322
where:
bonds (distance) C4'-P energy: -117.553
bonds (distance) P-C4' energy: -134.019
flat angles C4'-P-C4' energy: -137.826
flat angles P-C4'-P energy: -72.837
tors. eta vs tors. theta energy: -134.586
Dist. restrs. and SS energy: 6.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -2670.168467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.168467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.259389 (E_RNA)
where:
Base-Base interactions energy: -1852.710
where: short stacking energy: -825.506
Base-Backbone interact. energy: 1.969
local terms energy: -820.517848
where:
bonds (distance) C4'-P energy: -147.716
bonds (distance) P-C4' energy: -141.401
flat angles C4'-P-C4' energy: -188.712
flat angles P-C4'-P energy: -123.547
tors. eta vs tors. theta energy: -219.142
Dist. restrs. and SS energy: 1.091 (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: 7
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -2651.079207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.079207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.388139 (E_RNA)
where:
Base-Base interactions energy: -1806.428
where: short stacking energy: -768.551
Base-Backbone interact. energy: -2.241
local terms energy: -845.719250
where:
bonds (distance) C4'-P energy: -161.154
bonds (distance) P-C4' energy: -173.504
flat angles C4'-P-C4' energy: -180.287
flat angles P-C4'-P energy: -109.586
tors. eta vs tors. theta energy: -221.188
Dist. restrs. and SS energy: 3.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -2502.065310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.065310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.806893 (E_RNA)
where:
Base-Base interactions energy: -1677.250
where: short stacking energy: -699.266
Base-Backbone interact. energy: -3.450
local terms energy: -824.106618
where:
bonds (distance) C4'-P energy: -167.412
bonds (distance) P-C4' energy: -163.729
flat angles C4'-P-C4' energy: -183.368
flat angles P-C4'-P energy: -107.689
tors. eta vs tors. theta energy: -201.908
Dist. restrs. and SS energy: 2.742 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -2339.868473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.868473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.274812 (E_RNA)
where:
Base-Base interactions energy: -1555.741
where: short stacking energy: -683.240
Base-Backbone interact. energy: -2.275
local terms energy: -783.257880
where:
bonds (distance) C4'-P energy: -145.338
bonds (distance) P-C4' energy: -155.029
flat angles C4'-P-C4' energy: -176.954
flat angles P-C4'-P energy: -112.523
tors. eta vs tors. theta energy: -193.414
Dist. restrs. and SS energy: 1.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -2262.167102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.167102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.473255 (E_RNA)
where:
Base-Base interactions energy: -1503.660
where: short stacking energy: -666.474
Base-Backbone interact. energy: 1.228
local terms energy: -762.041335
where:
bonds (distance) C4'-P energy: -147.442
bonds (distance) P-C4' energy: -143.552
flat angles C4'-P-C4' energy: -165.781
flat angles P-C4'-P energy: -120.071
tors. eta vs tors. theta energy: -185.197
Dist. restrs. and SS energy: 2.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -2156.295149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.295149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.578745 (E_RNA)
where:
Base-Base interactions energy: -1482.313
where: short stacking energy: -628.517
Base-Backbone interact. energy: 5.246
local terms energy: -682.511980
where:
bonds (distance) C4'-P energy: -116.988
bonds (distance) P-C4' energy: -144.253
flat angles C4'-P-C4' energy: -172.728
flat angles P-C4'-P energy: -92.048
tors. eta vs tors. theta energy: -156.496
Dist. restrs. and SS energy: 3.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -2131.315663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.315663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.623288 (E_RNA)
where:
Base-Base interactions energy: -1437.290
where: short stacking energy: -616.487
Base-Backbone interact. energy: -0.991
local terms energy: -696.343232
where:
bonds (distance) C4'-P energy: -140.762
bonds (distance) P-C4' energy: -147.429
flat angles C4'-P-C4' energy: -138.019
flat angles P-C4'-P energy: -91.592
tors. eta vs tors. theta energy: -178.541
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: 8, replica: 8
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -2040.947031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.947031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.963478 (E_RNA)
where:
Base-Base interactions energy: -1380.186
where: short stacking energy: -584.285
Base-Backbone interact. energy: -3.613
local terms energy: -660.164817
where:
bonds (distance) C4'-P energy: -136.088
bonds (distance) P-C4' energy: -142.427
flat angles C4'-P-C4' energy: -146.739
flat angles P-C4'-P energy: -85.783
tors. eta vs tors. theta energy: -149.128
Dist. restrs. and SS energy: 3.016 (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: 3
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -1930.958539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.958539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.385068 (E_RNA)
where:
Base-Base interactions energy: -1306.738
where: short stacking energy: -544.181
Base-Backbone interact. energy: 1.143
local terms energy: -627.789902
where:
bonds (distance) C4'-P energy: -132.803
bonds (distance) P-C4' energy: -136.159
flat angles C4'-P-C4' energy: -136.228
flat angles P-C4'-P energy: -96.446
tors. eta vs tors. theta energy: -126.153
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: 10, replica: 10
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -1773.916969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.916969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.815138 (E_RNA)
where:
Base-Base interactions energy: -1216.165
where: short stacking energy: -517.600
Base-Backbone interact. energy: -1.101
local terms energy: -563.548940
where:
bonds (distance) C4'-P energy: -103.553
bonds (distance) P-C4' energy: -132.319
flat angles C4'-P-C4' energy: -133.878
flat angles P-C4'-P energy: -77.640
tors. eta vs tors. theta energy: -116.160
Dist. restrs. and SS energy: 6.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -2759.967141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.967141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.365334 (E_RNA)
where:
Base-Base interactions energy: -1880.759
where: short stacking energy: -817.095
Base-Backbone interact. energy: -3.480
local terms energy: -877.126564
where:
bonds (distance) C4'-P energy: -157.073
bonds (distance) P-C4' energy: -171.695
flat angles C4'-P-C4' energy: -177.595
flat angles P-C4'-P energy: -130.200
tors. eta vs tors. theta energy: -240.563
Dist. restrs. and SS energy: 1.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -2634.096814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.096814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.099897 (E_RNA)
where:
Base-Base interactions energy: -1771.656
where: short stacking energy: -759.857
Base-Backbone interact. energy: -3.535
local terms energy: -859.908912
where:
bonds (distance) C4'-P energy: -179.050
bonds (distance) P-C4' energy: -176.692
flat angles C4'-P-C4' energy: -169.988
flat angles P-C4'-P energy: -117.054
tors. eta vs tors. theta energy: -217.125
Dist. restrs. and SS energy: 1.003 (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: 9
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -2509.090047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.090047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.068769 (E_RNA)
where:
Base-Base interactions energy: -1711.544
where: short stacking energy: -712.655
Base-Backbone interact. energy: 2.174
local terms energy: -803.699694
where:
bonds (distance) C4'-P energy: -153.191
bonds (distance) P-C4' energy: -159.027
flat angles C4'-P-C4' energy: -175.590
flat angles P-C4'-P energy: -121.043
tors. eta vs tors. theta energy: -194.849
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: 4, replica: 6
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -2353.477911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.477911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.149117 (E_RNA)
where:
Base-Base interactions energy: -1588.771
where: short stacking energy: -693.163
Base-Backbone interact. energy: 2.869
local terms energy: -769.247022
where:
bonds (distance) C4'-P energy: -147.336
bonds (distance) P-C4' energy: -140.482
flat angles C4'-P-C4' energy: -162.475
flat angles P-C4'-P energy: -123.934
tors. eta vs tors. theta energy: -195.019
Dist. restrs. and SS energy: 1.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -2282.770070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.770070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.028741 (E_RNA)
where:
Base-Base interactions energy: -1519.715
where: short stacking energy: -649.640
Base-Backbone interact. energy: 0.565
local terms energy: -765.878455
where:
bonds (distance) C4'-P energy: -148.878
bonds (distance) P-C4' energy: -147.009
flat angles C4'-P-C4' energy: -175.784
flat angles P-C4'-P energy: -103.905
tors. eta vs tors. theta energy: -190.302
Dist. restrs. and SS energy: 2.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -2141.495716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.495716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.684434 (E_RNA)
where:
Base-Base interactions energy: -1424.962
where: short stacking energy: -611.792
Base-Backbone interact. energy: -1.781
local terms energy: -717.941127
where:
bonds (distance) C4'-P energy: -147.991
bonds (distance) P-C4' energy: -132.479
flat angles C4'-P-C4' energy: -164.183
flat angles P-C4'-P energy: -111.027
tors. eta vs tors. theta energy: -162.261
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: 7, replica: 2
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -2132.567790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.567790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.055848 (E_RNA)
where:
Base-Base interactions energy: -1431.704
where: short stacking energy: -611.039
Base-Backbone interact. energy: 2.732
local terms energy: -706.084615
where:
bonds (distance) C4'-P energy: -143.849
bonds (distance) P-C4' energy: -132.708
flat angles C4'-P-C4' energy: -169.818
flat angles P-C4'-P energy: -86.296
tors. eta vs tors. theta energy: -173.413
Dist. restrs. and SS energy: 2.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -1999.412979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.412979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.937274 (E_RNA)
where:
Base-Base interactions energy: -1375.572
where: short stacking energy: -559.784
Base-Backbone interact. energy: -0.979
local terms energy: -624.386891
where:
bonds (distance) C4'-P energy: -126.590
bonds (distance) P-C4' energy: -127.981
flat angles C4'-P-C4' energy: -137.499
flat angles P-C4'-P energy: -99.887
tors. eta vs tors. theta energy: -132.430
Dist. restrs. and SS energy: 1.524 (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: 3
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -1922.813423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.813423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.700652 (E_RNA)
where:
Base-Base interactions energy: -1301.681
where: short stacking energy: -571.091
Base-Backbone interact. energy: 2.627
local terms energy: -626.646326
where:
bonds (distance) C4'-P energy: -123.587
bonds (distance) P-C4' energy: -125.392
flat angles C4'-P-C4' energy: -134.079
flat angles P-C4'-P energy: -102.035
tors. eta vs tors. theta energy: -141.555
Dist. restrs. and SS energy: 2.887 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -1837.554809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.554809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.791547 (E_RNA)
where:
Base-Base interactions energy: -1231.128
where: short stacking energy: -526.978
Base-Backbone interact. energy: -2.320
local terms energy: -609.342950
where:
bonds (distance) C4'-P energy: -144.822
bonds (distance) P-C4' energy: -115.441
flat angles C4'-P-C4' energy: -134.314
flat angles P-C4'-P energy: -85.034
tors. eta vs tors. theta energy: -129.731
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: 1, replica: 4
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -2693.638476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.638476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.734111 (E_RNA)
where:
Base-Base interactions energy: -1832.619
where: short stacking energy: -803.104
Base-Backbone interact. energy: -5.374
local terms energy: -856.741368
where:
bonds (distance) C4'-P energy: -166.394
bonds (distance) P-C4' energy: -151.612
flat angles C4'-P-C4' energy: -188.802
flat angles P-C4'-P energy: -119.624
tors. eta vs tors. theta energy: -230.310
Dist. restrs. and SS energy: 1.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -2630.153562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.153562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.404638 (E_RNA)
where:
Base-Base interactions energy: -1792.060
where: short stacking energy: -776.958
Base-Backbone interact. energy: 0.956
local terms energy: -840.300767
where:
bonds (distance) C4'-P energy: -167.653
bonds (distance) P-C4' energy: -158.654
flat angles C4'-P-C4' energy: -189.720
flat angles P-C4'-P energy: -103.344
tors. eta vs tors. theta energy: -220.930
Dist. restrs. and SS energy: 1.251 (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: 9
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -2528.525585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.525585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.723088 (E_RNA)
where:
Base-Base interactions energy: -1733.095
where: short stacking energy: -713.776
Base-Backbone interact. energy: -1.368
local terms energy: -797.259846
where:
bonds (distance) C4'-P energy: -152.380
bonds (distance) P-C4' energy: -150.822
flat angles C4'-P-C4' energy: -167.540
flat angles P-C4'-P energy: -124.926
tors. eta vs tors. theta energy: -201.593
Dist. restrs. and SS energy: 3.198 (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: 6
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -2371.631841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.631841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.487346 (E_RNA)
where:
Base-Base interactions energy: -1613.039
where: short stacking energy: -723.531
Base-Backbone interact. energy: 5.492
local terms energy: -765.940342
where:
bonds (distance) C4'-P energy: -146.926
bonds (distance) P-C4' energy: -149.366
flat angles C4'-P-C4' energy: -169.370
flat angles P-C4'-P energy: -104.952
tors. eta vs tors. theta energy: -195.326
Dist. restrs. and SS energy: 1.856 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -2255.335073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.335073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.667620 (E_RNA)
where:
Base-Base interactions energy: -1530.378
where: short stacking energy: -673.292
Base-Backbone interact. energy: 1.821
local terms energy: -728.110515
where:
bonds (distance) C4'-P energy: -149.933
bonds (distance) P-C4' energy: -133.002
flat angles C4'-P-C4' energy: -161.577
flat angles P-C4'-P energy: -101.860
tors. eta vs tors. theta energy: -181.738
Dist. restrs. and SS energy: 1.333 (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: 1
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -2184.752241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.752241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.055804 (E_RNA)
where:
Base-Base interactions energy: -1464.232
where: short stacking energy: -633.187
Base-Backbone interact. energy: -0.644
local terms energy: -721.179807
where:
bonds (distance) C4'-P energy: -141.850
bonds (distance) P-C4' energy: -137.013
flat angles C4'-P-C4' energy: -158.165
flat angles P-C4'-P energy: -115.660
tors. eta vs tors. theta energy: -168.492
Dist. restrs. and SS energy: 1.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -2099.178240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.178240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.693395 (E_RNA)
where:
Base-Base interactions energy: -1396.620
where: short stacking energy: -590.245
Base-Backbone interact. energy: -3.098
local terms energy: -702.974945
where:
bonds (distance) C4'-P energy: -144.802
bonds (distance) P-C4' energy: -134.291
flat angles C4'-P-C4' energy: -151.764
flat angles P-C4'-P energy: -108.573
tors. eta vs tors. theta energy: -163.544
Dist. restrs. and SS energy: 3.515 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -2016.375716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.375716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.271132 (E_RNA)
where:
Base-Base interactions energy: -1360.386
where: short stacking energy: -589.263
Base-Backbone interact. energy: 1.240
local terms energy: -660.125178
where:
bonds (distance) C4'-P energy: -112.657
bonds (distance) P-C4' energy: -125.078
flat angles C4'-P-C4' energy: -166.371
flat angles P-C4'-P energy: -95.330
tors. eta vs tors. theta energy: -160.689
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: 9, replica: 3
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -1926.854957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.854957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.221335 (E_RNA)
where:
Base-Base interactions energy: -1306.938
where: short stacking energy: -533.158
Base-Backbone interact. energy: 0.369
local terms energy: -623.651476
where:
bonds (distance) C4'-P energy: -140.716
bonds (distance) P-C4' energy: -128.191
flat angles C4'-P-C4' energy: -145.928
flat angles P-C4'-P energy: -74.046
tors. eta vs tors. theta energy: -134.770
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: 10, replica: 10
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -1810.949724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.949724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.580116 (E_RNA)
where:
Base-Base interactions energy: -1261.125
where: short stacking energy: -505.811
Base-Backbone interact. energy: 4.598
local terms energy: -557.053079
where:
bonds (distance) C4'-P energy: -95.185
bonds (distance) P-C4' energy: -129.990
flat angles C4'-P-C4' energy: -126.627
flat angles P-C4'-P energy: -89.077
tors. eta vs tors. theta energy: -116.174
Dist. restrs. and SS energy: 2.630 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -2711.680291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.680291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.282035 (E_RNA)
where:
Base-Base interactions energy: -1853.778
where: short stacking energy: -803.154
Base-Backbone interact. energy: -5.051
local terms energy: -854.452907
where:
bonds (distance) C4'-P energy: -158.676
bonds (distance) P-C4' energy: -158.318
flat angles C4'-P-C4' energy: -193.064
flat angles P-C4'-P energy: -125.520
tors. eta vs tors. theta energy: -218.876
Dist. restrs. and SS energy: 1.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -2641.088213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.088213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.411283 (E_RNA)
where:
Base-Base interactions energy: -1823.359
where: short stacking energy: -800.271
Base-Backbone interact. energy: 9.467
local terms energy: -828.519141
where:
bonds (distance) C4'-P energy: -151.646
bonds (distance) P-C4' energy: -154.999
flat angles C4'-P-C4' energy: -182.982
flat angles P-C4'-P energy: -116.767
tors. eta vs tors. theta energy: -222.125
Dist. restrs. and SS energy: 1.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -2549.379259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.379259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.009479 (E_RNA)
where:
Base-Base interactions energy: -1761.522
where: short stacking energy: -763.540
Base-Backbone interact. energy: 1.718
local terms energy: -794.205819
where:
bonds (distance) C4'-P energy: -125.036
bonds (distance) P-C4' energy: -158.465
flat angles C4'-P-C4' energy: -186.446
flat angles P-C4'-P energy: -112.339
tors. eta vs tors. theta energy: -211.920
Dist. restrs. and SS energy: 4.630 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -2385.945012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.945012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.879634 (E_RNA)
where:
Base-Base interactions energy: -1632.727
where: short stacking energy: -707.325
Base-Backbone interact. energy: 5.040
local terms energy: -760.193149
where:
bonds (distance) C4'-P energy: -150.896
bonds (distance) P-C4' energy: -152.471
flat angles C4'-P-C4' energy: -152.421
flat angles P-C4'-P energy: -104.667
tors. eta vs tors. theta energy: -199.739
Dist. restrs. and SS energy: 1.935 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -2275.304218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.304218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.415908 (E_RNA)
where:
Base-Base interactions energy: -1532.013
where: short stacking energy: -660.688
Base-Backbone interact. energy: -1.894
local terms energy: -742.508569
where:
bonds (distance) C4'-P energy: -138.110
bonds (distance) P-C4' energy: -142.538
flat angles C4'-P-C4' energy: -172.923
flat angles P-C4'-P energy: -104.824
tors. eta vs tors. theta energy: -184.113
Dist. restrs. and SS energy: 1.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -2166.428314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.428314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.357123 (E_RNA)
where:
Base-Base interactions energy: -1428.327
where: short stacking energy: -618.456
Base-Backbone interact. energy: -1.186
local terms energy: -739.844100
where:
bonds (distance) C4'-P energy: -158.538
bonds (distance) P-C4' energy: -150.744
flat angles C4'-P-C4' energy: -153.811
flat angles P-C4'-P energy: -111.461
tors. eta vs tors. theta energy: -165.290
Dist. restrs. and SS energy: 2.929 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -2075.572849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.572849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.443603 (E_RNA)
where:
Base-Base interactions energy: -1423.423
where: short stacking energy: -618.832
Base-Backbone interact. energy: 5.035
local terms energy: -661.055868
where:
bonds (distance) C4'-P energy: -125.653
bonds (distance) P-C4' energy: -136.391
flat angles C4'-P-C4' energy: -145.401
flat angles P-C4'-P energy: -94.122
tors. eta vs tors. theta energy: -159.489
Dist. restrs. and SS energy: 3.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -2016.920792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.920792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.053083 (E_RNA)
where:
Base-Base interactions energy: -1345.137
where: short stacking energy: -577.670
Base-Backbone interact. energy: 1.297
local terms energy: -675.213343
where:
bonds (distance) C4'-P energy: -125.311
bonds (distance) P-C4' energy: -141.307
flat angles C4'-P-C4' energy: -143.065
flat angles P-C4'-P energy: -106.853
tors. eta vs tors. theta energy: -158.677
Dist. restrs. and SS energy: 2.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -1879.670904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.670904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.954270 (E_RNA)
where:
Base-Base interactions energy: -1262.945
where: short stacking energy: -526.634
Base-Backbone interact. energy: 2.449
local terms energy: -622.458259
where:
bonds (distance) C4'-P energy: -146.482
bonds (distance) P-C4' energy: -112.866
flat angles C4'-P-C4' energy: -131.446
flat angles P-C4'-P energy: -93.829
tors. eta vs tors. theta energy: -137.836
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: 10, replica: 10
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -1845.000173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.000173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.494504 (E_RNA)
where:
Base-Base interactions energy: -1253.773
where: short stacking energy: -531.646
Base-Backbone interact. energy: 0.920
local terms energy: -597.641566
where:
bonds (distance) C4'-P energy: -111.086
bonds (distance) P-C4' energy: -127.863
flat angles C4'-P-C4' energy: -131.399
flat angles P-C4'-P energy: -85.022
tors. eta vs tors. theta energy: -142.272
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: 1, replica: 4
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -2666.684455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.684455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.634102 (E_RNA)
where:
Base-Base interactions energy: -1835.944
where: short stacking energy: -770.095
Base-Backbone interact. energy: -1.540
local terms energy: -830.150281
where:
bonds (distance) C4'-P energy: -150.395
bonds (distance) P-C4' energy: -170.826
flat angles C4'-P-C4' energy: -170.450
flat angles P-C4'-P energy: -120.080
tors. eta vs tors. theta energy: -218.400
Dist. restrs. and SS energy: 0.950 (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: 7
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -2664.678961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.678961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.885999 (E_RNA)
where:
Base-Base interactions energy: -1838.388
where: short stacking energy: -794.406
Base-Backbone interact. energy: -2.062
local terms energy: -826.436325
where:
bonds (distance) C4'-P energy: -152.717
bonds (distance) P-C4' energy: -153.455
flat angles C4'-P-C4' energy: -189.436
flat angles P-C4'-P energy: -110.495
tors. eta vs tors. theta energy: -220.333
Dist. restrs. and SS energy: 2.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -2579.266483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.266483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.784147 (E_RNA)
where:
Base-Base interactions energy: -1764.392
where: short stacking energy: -745.698
Base-Backbone interact. energy: 0.775
local terms energy: -820.167263
where:
bonds (distance) C4'-P energy: -164.184
bonds (distance) P-C4' energy: -170.214
flat angles C4'-P-C4' energy: -163.932
flat angles P-C4'-P energy: -113.519
tors. eta vs tors. theta energy: -208.318
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: 6
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -2392.406521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.406521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.049087 (E_RNA)
where:
Base-Base interactions energy: -1615.587
where: short stacking energy: -727.683
Base-Backbone interact. energy: -1.545
local terms energy: -776.917207
where:
bonds (distance) C4'-P energy: -136.792
bonds (distance) P-C4' energy: -154.310
flat angles C4'-P-C4' energy: -154.894
flat angles P-C4'-P energy: -121.161
tors. eta vs tors. theta energy: -209.761
Dist. restrs. and SS energy: 1.643 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -2290.897971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.897971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.612933 (E_RNA)
where:
Base-Base interactions energy: -1557.682
where: short stacking energy: -673.839
Base-Backbone interact. energy: 4.659
local terms energy: -740.589590
where:
bonds (distance) C4'-P energy: -148.618
bonds (distance) P-C4' energy: -136.232
flat angles C4'-P-C4' energy: -167.400
flat angles P-C4'-P energy: -88.718
tors. eta vs tors. theta energy: -199.621
Dist. restrs. and SS energy: 2.715 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -2147.664729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.664729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.635461 (E_RNA)
where:
Base-Base interactions energy: -1450.351
where: short stacking energy: -613.992
Base-Backbone interact. energy: 0.824
local terms energy: -700.108477
where:
bonds (distance) C4'-P energy: -130.205
bonds (distance) P-C4' energy: -141.931
flat angles C4'-P-C4' energy: -159.129
flat angles P-C4'-P energy: -94.054
tors. eta vs tors. theta energy: -174.789
Dist. restrs. and SS energy: 1.971 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -2058.503980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.503980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.550101 (E_RNA)
where:
Base-Base interactions energy: -1358.708
where: short stacking energy: -587.318
Base-Backbone interact. energy: -2.532
local terms energy: -700.310079
where:
bonds (distance) C4'-P energy: -157.889
bonds (distance) P-C4' energy: -142.501
flat angles C4'-P-C4' energy: -158.176
flat angles P-C4'-P energy: -89.752
tors. eta vs tors. theta energy: -151.993
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: 8, replica: 8
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -2031.660517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.660517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.749327 (E_RNA)
where:
Base-Base interactions energy: -1372.565
where: short stacking energy: -602.769
Base-Backbone interact. energy: 7.838
local terms energy: -670.021839
where:
bonds (distance) C4'-P energy: -127.860
bonds (distance) P-C4' energy: -128.342
flat angles C4'-P-C4' energy: -141.438
flat angles P-C4'-P energy: -108.791
tors. eta vs tors. theta energy: -163.591
Dist. restrs. and SS energy: 3.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -1930.915950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.915950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.733442 (E_RNA)
where:
Base-Base interactions energy: -1308.227
where: short stacking energy: -557.805
Base-Backbone interact. energy: -3.149
local terms energy: -622.356659
where:
bonds (distance) C4'-P energy: -145.984
bonds (distance) P-C4' energy: -137.950
flat angles C4'-P-C4' energy: -142.418
flat angles P-C4'-P energy: -67.495
tors. eta vs tors. theta energy: -128.510
Dist. restrs. and SS energy: 2.817 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -1811.788761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.788761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.292610 (E_RNA)
where:
Base-Base interactions energy: -1232.010
where: short stacking energy: -506.570
Base-Backbone interact. energy: 0.223
local terms energy: -584.505102
where:
bonds (distance) C4'-P energy: -114.453
bonds (distance) P-C4' energy: -120.109
flat angles C4'-P-C4' energy: -142.504
flat angles P-C4'-P energy: -88.838
tors. eta vs tors. theta energy: -118.601
Dist. restrs. and SS energy: 4.504 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -2682.102867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.102867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.874351 (E_RNA)
where:
Base-Base interactions energy: -1827.606
where: short stacking energy: -756.363
Base-Backbone interact. energy: -7.978
local terms energy: -848.290271
where:
bonds (distance) C4'-P energy: -164.413
bonds (distance) P-C4' energy: -155.064
flat angles C4'-P-C4' energy: -185.409
flat angles P-C4'-P energy: -122.558
tors. eta vs tors. theta energy: -220.847
Dist. restrs. and SS energy: 1.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -2667.007519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.007519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.196751 (E_RNA)
where:
Base-Base interactions energy: -1839.549
where: short stacking energy: -782.510
Base-Backbone interact. energy: 6.405
local terms energy: -835.052615
where:
bonds (distance) C4'-P energy: -153.487
bonds (distance) P-C4' energy: -165.167
flat angles C4'-P-C4' energy: -177.521
flat angles P-C4'-P energy: -115.900
tors. eta vs tors. theta energy: -222.978
Dist. restrs. and SS energy: 1.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -2575.425335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.425335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.108097 (E_RNA)
where:
Base-Base interactions energy: -1771.486
where: short stacking energy: -730.433
Base-Backbone interact. energy: -3.719
local terms energy: -803.903657
where:
bonds (distance) C4'-P energy: -161.798
bonds (distance) P-C4' energy: -154.219
flat angles C4'-P-C4' energy: -167.786
flat angles P-C4'-P energy: -110.229
tors. eta vs tors. theta energy: -209.872
Dist. restrs. and SS energy: 3.683 (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: 6
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -2377.845425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.845425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.519896 (E_RNA)
where:
Base-Base interactions energy: -1607.610
where: short stacking energy: -701.846
Base-Backbone interact. energy: 5.652
local terms energy: -778.561189
where:
bonds (distance) C4'-P energy: -147.884
bonds (distance) P-C4' energy: -137.169
flat angles C4'-P-C4' energy: -182.899
flat angles P-C4'-P energy: -121.108
tors. eta vs tors. theta energy: -189.502
Dist. restrs. and SS energy: 2.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -2321.294233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.294233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.158047 (E_RNA)
where:
Base-Base interactions energy: -1559.440
where: short stacking energy: -683.433
Base-Backbone interact. energy: 4.498
local terms energy: -768.216254
where:
bonds (distance) C4'-P energy: -140.734
bonds (distance) P-C4' energy: -152.437
flat angles C4'-P-C4' energy: -174.080
flat angles P-C4'-P energy: -107.445
tors. eta vs tors. theta energy: -193.520
Dist. restrs. and SS energy: 1.864 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -2166.321989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.321989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.487762 (E_RNA)
where:
Base-Base interactions energy: -1451.948
where: short stacking energy: -631.893
Base-Backbone interact. energy: -1.972
local terms energy: -719.568393
where:
bonds (distance) C4'-P energy: -132.088
bonds (distance) P-C4' energy: -157.290
flat angles C4'-P-C4' energy: -153.217
flat angles P-C4'-P energy: -92.760
tors. eta vs tors. theta energy: -184.214
Dist. restrs. and SS energy: 7.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -2096.789685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.789685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.351681 (E_RNA)
where:
Base-Base interactions energy: -1374.885
where: short stacking energy: -605.302
Base-Backbone interact. energy: -2.652
local terms energy: -721.814887
where:
bonds (distance) C4'-P energy: -133.583
bonds (distance) P-C4' energy: -146.777
flat angles C4'-P-C4' energy: -164.106
flat angles P-C4'-P energy: -111.542
tors. eta vs tors. theta energy: -165.807
Dist. restrs. and SS energy: 2.562 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -2022.843600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.843600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.461243 (E_RNA)
where:
Base-Base interactions energy: -1334.449
where: short stacking energy: -565.095
Base-Backbone interact. energy: -2.781
local terms energy: -689.231082
where:
bonds (distance) C4'-P energy: -124.591
bonds (distance) P-C4' energy: -152.449
flat angles C4'-P-C4' energy: -163.565
flat angles P-C4'-P energy: -98.190
tors. eta vs tors. theta energy: -150.436
Dist. restrs. and SS energy: 3.618 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -1918.392627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.392627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.843780 (E_RNA)
where:
Base-Base interactions energy: -1303.382
where: short stacking energy: -558.107
Base-Backbone interact. energy: -4.488
local terms energy: -613.973180
where:
bonds (distance) C4'-P energy: -117.213
bonds (distance) P-C4' energy: -115.208
flat angles C4'-P-C4' energy: -149.109
flat angles P-C4'-P energy: -94.351
tors. eta vs tors. theta energy: -138.093
Dist. restrs. and SS energy: 3.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -1757.926185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.926185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.979963 (E_RNA)
where:
Base-Base interactions energy: -1200.405
where: short stacking energy: -506.275
Base-Backbone interact. energy: 1.484
local terms energy: -578.058882
where:
bonds (distance) C4'-P energy: -124.084
bonds (distance) P-C4' energy: -110.788
flat angles C4'-P-C4' energy: -122.077
flat angles P-C4'-P energy: -99.187
tors. eta vs tors. theta energy: -121.924
Dist. restrs. and SS energy: 19.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -2629.005056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.005056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.138361 (E_RNA)
where:
Base-Base interactions energy: -1788.836
where: short stacking energy: -776.238
Base-Backbone interact. energy: 0.095
local terms energy: -841.397192
where:
bonds (distance) C4'-P energy: -159.703
bonds (distance) P-C4' energy: -166.471
flat angles C4'-P-C4' energy: -192.035
flat angles P-C4'-P energy: -107.860
tors. eta vs tors. theta energy: -215.328
Dist. restrs. and SS energy: 1.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -2679.270540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.270540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.669897 (E_RNA)
where:
Base-Base interactions energy: -1858.285
where: short stacking energy: -774.098
Base-Backbone interact. energy: 4.895
local terms energy: -827.279981
where:
bonds (distance) C4'-P energy: -165.713
bonds (distance) P-C4' energy: -159.461
flat angles C4'-P-C4' energy: -173.920
flat angles P-C4'-P energy: -118.239
tors. eta vs tors. theta energy: -209.948
Dist. restrs. and SS energy: 1.399 (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: 9
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -2581.552247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.552247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.469458 (E_RNA)
where:
Base-Base interactions energy: -1765.112
where: short stacking energy: -749.987
Base-Backbone interact. energy: 0.962
local terms energy: -820.319605
where:
bonds (distance) C4'-P energy: -148.673
bonds (distance) P-C4' energy: -165.276
flat angles C4'-P-C4' energy: -167.716
flat angles P-C4'-P energy: -124.909
tors. eta vs tors. theta energy: -213.745
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: 6
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -2391.641701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.641701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.071657 (E_RNA)
where:
Base-Base interactions energy: -1609.170
where: short stacking energy: -713.724
Base-Backbone interact. energy: -2.068
local terms energy: -782.833345
where:
bonds (distance) C4'-P energy: -141.438
bonds (distance) P-C4' energy: -149.722
flat angles C4'-P-C4' energy: -177.340
flat angles P-C4'-P energy: -119.142
tors. eta vs tors. theta energy: -195.192
Dist. restrs. and SS energy: 2.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -2326.836614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.836614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.293691 (E_RNA)
where:
Base-Base interactions energy: -1551.807
where: short stacking energy: -683.691
Base-Backbone interact. energy: -1.033
local terms energy: -775.454103
where:
bonds (distance) C4'-P energy: -148.576
bonds (distance) P-C4' energy: -143.111
flat angles C4'-P-C4' energy: -177.804
flat angles P-C4'-P energy: -109.872
tors. eta vs tors. theta energy: -196.090
Dist. restrs. and SS energy: 1.457 (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: 5
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -2179.737556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.737556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.620331 (E_RNA)
where:
Base-Base interactions energy: -1438.890
where: short stacking energy: -622.284
Base-Backbone interact. energy: -0.874
local terms energy: -741.857031
where:
bonds (distance) C4'-P energy: -143.568
bonds (distance) P-C4' energy: -151.491
flat angles C4'-P-C4' energy: -154.471
flat angles P-C4'-P energy: -117.979
tors. eta vs tors. theta energy: -174.348
Dist. restrs. and SS energy: 1.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -2101.066818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.066818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.542045 (E_RNA)
where:
Base-Base interactions energy: -1425.220
where: short stacking energy: -611.770
Base-Backbone interact. energy: -0.489
local terms energy: -676.832556
where:
bonds (distance) C4'-P energy: -122.085
bonds (distance) P-C4' energy: -124.029
flat angles C4'-P-C4' energy: -158.422
flat angles P-C4'-P energy: -98.006
tors. eta vs tors. theta energy: -174.290
Dist. restrs. and SS energy: 1.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -2014.987351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.987351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.809572 (E_RNA)
where:
Base-Base interactions energy: -1320.991
where: short stacking energy: -569.710
Base-Backbone interact. energy: -1.115
local terms energy: -698.703400
where:
bonds (distance) C4'-P energy: -134.584
bonds (distance) P-C4' energy: -150.607
flat angles C4'-P-C4' energy: -155.483
flat angles P-C4'-P energy: -97.842
tors. eta vs tors. theta energy: -160.188
Dist. restrs. and SS energy: 5.822 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -1952.987070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.987070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.646456 (E_RNA)
where:
Base-Base interactions energy: -1297.643
where: short stacking energy: -557.386
Base-Backbone interact. energy: -3.565
local terms energy: -654.438990
where:
bonds (distance) C4'-P energy: -132.003
bonds (distance) P-C4' energy: -138.507
flat angles C4'-P-C4' energy: -148.525
flat angles P-C4'-P energy: -84.802
tors. eta vs tors. theta energy: -150.602
Dist. restrs. and SS energy: 2.659 (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: 10
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -1823.077087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.077087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.273866 (E_RNA)
where:
Base-Base interactions energy: -1236.984
where: short stacking energy: -507.308
Base-Backbone interact. energy: -0.599
local terms energy: -598.690438
where:
bonds (distance) C4'-P energy: -122.922
bonds (distance) P-C4' energy: -119.969
flat angles C4'-P-C4' energy: -147.881
flat angles P-C4'-P energy: -72.514
tors. eta vs tors. theta energy: -135.405
Dist. restrs. and SS energy: 13.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -2748.404833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2748.404833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.635662 (E_RNA)
where:
Base-Base interactions energy: -1894.007
where: short stacking energy: -826.265
Base-Backbone interact. energy: 2.082
local terms energy: -857.709974
where:
bonds (distance) C4'-P energy: -163.805
bonds (distance) P-C4' energy: -168.859
flat angles C4'-P-C4' energy: -167.875
flat angles P-C4'-P energy: -131.317
tors. eta vs tors. theta energy: -225.855
Dist. restrs. and SS energy: 1.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -2586.787283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.787283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.194207 (E_RNA)
where:
Base-Base interactions energy: -1741.967
where: short stacking energy: -749.212
Base-Backbone interact. energy: 2.450
local terms energy: -848.677222
where:
bonds (distance) C4'-P energy: -172.580
bonds (distance) P-C4' energy: -163.835
flat angles C4'-P-C4' energy: -178.797
flat angles P-C4'-P energy: -120.079
tors. eta vs tors. theta energy: -213.388
Dist. restrs. and SS energy: 1.407 (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: 9
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -2591.109777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.109777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.361977 (E_RNA)
where:
Base-Base interactions energy: -1806.987
where: short stacking energy: -742.321
Base-Backbone interact. energy: -0.245
local terms energy: -787.129741
where:
bonds (distance) C4'-P energy: -157.672
bonds (distance) P-C4' energy: -168.119
flat angles C4'-P-C4' energy: -160.562
flat angles P-C4'-P energy: -96.803
tors. eta vs tors. theta energy: -203.973
Dist. restrs. and SS energy: 3.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -2451.877100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.877100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.785549 (E_RNA)
where:
Base-Base interactions energy: -1654.427
where: short stacking energy: -715.616
Base-Backbone interact. energy: 5.172
local terms energy: -804.530475
where:
bonds (distance) C4'-P energy: -148.893
bonds (distance) P-C4' energy: -160.202
flat angles C4'-P-C4' energy: -169.434
flat angles P-C4'-P energy: -116.481
tors. eta vs tors. theta energy: -209.520
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: 5, replica: 1
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -2282.206440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.206440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.048367 (E_RNA)
where:
Base-Base interactions energy: -1553.783
where: short stacking energy: -675.951
Base-Backbone interact. energy: -0.997
local terms energy: -729.268963
where:
bonds (distance) C4'-P energy: -152.155
bonds (distance) P-C4' energy: -140.372
flat angles C4'-P-C4' energy: -159.484
flat angles P-C4'-P energy: -93.385
tors. eta vs tors. theta energy: -183.873
Dist. restrs. and SS energy: 1.842 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -2206.114871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.114871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.644861 (E_RNA)
where:
Base-Base interactions energy: -1459.612
where: short stacking energy: -644.446
Base-Backbone interact. energy: 0.172
local terms energy: -748.205505
where:
bonds (distance) C4'-P energy: -148.185
bonds (distance) P-C4' energy: -148.599
flat angles C4'-P-C4' energy: -155.970
flat angles P-C4'-P energy: -108.446
tors. eta vs tors. theta energy: -187.004
Dist. restrs. and SS energy: 1.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -2073.682032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.682032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.262967 (E_RNA)
where:
Base-Base interactions energy: -1387.858
where: short stacking energy: -601.281
Base-Backbone interact. energy: -1.982
local terms energy: -686.422041
where:
bonds (distance) C4'-P energy: -117.667
bonds (distance) P-C4' energy: -147.563
flat angles C4'-P-C4' energy: -153.335
flat angles P-C4'-P energy: -98.482
tors. eta vs tors. theta energy: -169.375
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: 8, replica: 2
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -2022.583668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.583668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.795475 (E_RNA)
where:
Base-Base interactions energy: -1363.478
where: short stacking energy: -587.935
Base-Backbone interact. energy: -2.089
local terms energy: -658.229046
where:
bonds (distance) C4'-P energy: -132.358
bonds (distance) P-C4' energy: -129.935
flat angles C4'-P-C4' energy: -149.478
flat angles P-C4'-P energy: -84.772
tors. eta vs tors. theta energy: -161.686
Dist. restrs. and SS energy: 1.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -1929.574161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.574161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.326762 (E_RNA)
where:
Base-Base interactions energy: -1291.177
where: short stacking energy: -569.727
Base-Backbone interact. energy: -3.872
local terms energy: -641.277641
where:
bonds (distance) C4'-P energy: -139.434
bonds (distance) P-C4' energy: -120.772
flat angles C4'-P-C4' energy: -133.041
flat angles P-C4'-P energy: -100.682
tors. eta vs tors. theta energy: -147.349
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: 10, replica: 3
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -1842.827684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.827684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.523375 (E_RNA)
where:
Base-Base interactions energy: -1249.782
where: short stacking energy: -491.966
Base-Backbone interact. energy: 3.999
local terms energy: -601.739769
where:
bonds (distance) C4'-P energy: -136.615
bonds (distance) P-C4' energy: -127.977
flat angles C4'-P-C4' energy: -112.911
flat angles P-C4'-P energy: -102.586
tors. eta vs tors. theta energy: -121.651
Dist. restrs. and SS energy: 4.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -2749.570858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2749.570858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.713313 (E_RNA)
where:
Base-Base interactions energy: -1851.972
where: short stacking energy: -791.483
Base-Backbone interact. energy: 0.054
local terms energy: -898.794860
where:
bonds (distance) C4'-P energy: -165.025
bonds (distance) P-C4' energy: -175.175
flat angles C4'-P-C4' energy: -196.794
flat angles P-C4'-P energy: -134.811
tors. eta vs tors. theta energy: -226.991
Dist. restrs. and SS energy: 1.142 (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: 9
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -2664.062623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.062623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.181529 (E_RNA)
where:
Base-Base interactions energy: -1843.995
where: short stacking energy: -791.110
Base-Backbone interact. energy: 2.005
local terms energy: -825.191677
where:
bonds (distance) C4'-P energy: -142.757
bonds (distance) P-C4' energy: -170.464
flat angles C4'-P-C4' energy: -175.082
flat angles P-C4'-P energy: -121.542
tors. eta vs tors. theta energy: -215.346
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: 4
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -2523.073401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.073401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.894633 (E_RNA)
where:
Base-Base interactions energy: -1719.457
where: short stacking energy: -775.757
Base-Backbone interact. energy: 0.378
local terms energy: -805.815449
where:
bonds (distance) C4'-P energy: -150.714
bonds (distance) P-C4' energy: -144.118
flat angles C4'-P-C4' energy: -177.457
flat angles P-C4'-P energy: -117.690
tors. eta vs tors. theta energy: -215.837
Dist. restrs. and SS energy: 1.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -2401.012447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.012447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.593086 (E_RNA)
where:
Base-Base interactions energy: -1643.503
where: short stacking energy: -719.983
Base-Backbone interact. energy: -6.497
local terms energy: -752.593335
where:
bonds (distance) C4'-P energy: -132.301
bonds (distance) P-C4' energy: -145.223
flat angles C4'-P-C4' energy: -170.498
flat angles P-C4'-P energy: -99.246
tors. eta vs tors. theta energy: -205.325
Dist. restrs. and SS energy: 1.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -2330.515020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.515020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.580215 (E_RNA)
where:
Base-Base interactions energy: -1580.068
where: short stacking energy: -650.359
Base-Backbone interact. energy: -2.434
local terms energy: -750.078110
where:
bonds (distance) C4'-P energy: -153.997
bonds (distance) P-C4' energy: -148.779
flat angles C4'-P-C4' energy: -165.525
flat angles P-C4'-P energy: -86.786
tors. eta vs tors. theta energy: -194.991
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: 6, replica: 5
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -2231.780008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.780008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.347958 (E_RNA)
where:
Base-Base interactions energy: -1491.014
where: short stacking energy: -649.077
Base-Backbone interact. energy: -3.175
local terms energy: -741.159745
where:
bonds (distance) C4'-P energy: -150.395
bonds (distance) P-C4' energy: -131.979
flat angles C4'-P-C4' energy: -167.101
flat angles P-C4'-P energy: -103.673
tors. eta vs tors. theta energy: -188.012
Dist. restrs. and SS energy: 3.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -2143.256104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.256104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.283271 (E_RNA)
where:
Base-Base interactions energy: -1472.326
where: short stacking energy: -645.866
Base-Backbone interact. energy: 5.130
local terms energy: -678.087701
where:
bonds (distance) C4'-P energy: -139.888
bonds (distance) P-C4' energy: -128.411
flat angles C4'-P-C4' energy: -152.117
flat angles P-C4'-P energy: -98.893
tors. eta vs tors. theta energy: -158.778
Dist. restrs. and SS energy: 2.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -2037.618639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.618639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.065119 (E_RNA)
where:
Base-Base interactions energy: -1383.476
where: short stacking energy: -589.928
Base-Backbone interact. energy: 2.071
local terms energy: -659.660078
where:
bonds (distance) C4'-P energy: -122.184
bonds (distance) P-C4' energy: -126.782
flat angles C4'-P-C4' energy: -148.561
flat angles P-C4'-P energy: -102.298
tors. eta vs tors. theta energy: -159.836
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: 9, replica: 10
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -1954.516474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.516474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.286752 (E_RNA)
where:
Base-Base interactions energy: -1328.886
where: short stacking energy: -584.331
Base-Backbone interact. energy: -0.750
local terms energy: -627.651238
where:
bonds (distance) C4'-P energy: -144.997
bonds (distance) P-C4' energy: -124.414
flat angles C4'-P-C4' energy: -147.596
flat angles P-C4'-P energy: -67.476
tors. eta vs tors. theta energy: -143.168
Dist. restrs. and SS energy: 2.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -1898.524548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.524548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.172616 (E_RNA)
where:
Base-Base interactions energy: -1304.795
where: short stacking energy: -568.127
Base-Backbone interact. energy: -0.972
local terms energy: -595.405706
where:
bonds (distance) C4'-P energy: -122.597
bonds (distance) P-C4' energy: -109.614
flat angles C4'-P-C4' energy: -144.628
flat angles P-C4'-P energy: -88.785
tors. eta vs tors. theta energy: -129.783
Dist. restrs. and SS energy: 2.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -2733.079324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.079324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.554931 (E_RNA)
where:
Base-Base interactions energy: -1862.754
where: short stacking energy: -781.557
Base-Backbone interact. energy: -0.937
local terms energy: -870.864041
where:
bonds (distance) C4'-P energy: -169.379
bonds (distance) P-C4' energy: -174.337
flat angles C4'-P-C4' energy: -176.842
flat angles P-C4'-P energy: -116.707
tors. eta vs tors. theta energy: -233.599
Dist. restrs. and SS energy: 1.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -2669.543224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.543224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.101868 (E_RNA)
where:
Base-Base interactions energy: -1829.178
where: short stacking energy: -776.569
Base-Backbone interact. energy: 3.100
local terms energy: -845.023659
where:
bonds (distance) C4'-P energy: -155.283
bonds (distance) P-C4' energy: -157.712
flat angles C4'-P-C4' energy: -169.407
flat angles P-C4'-P energy: -136.133
tors. eta vs tors. theta energy: -226.489
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: 3, replica: 4
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -2546.245727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.245727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.193257 (E_RNA)
where:
Base-Base interactions energy: -1739.115
where: short stacking energy: -745.657
Base-Backbone interact. energy: -2.743
local terms energy: -806.334922
where:
bonds (distance) C4'-P energy: -151.624
bonds (distance) P-C4' energy: -149.487
flat angles C4'-P-C4' energy: -181.029
flat angles P-C4'-P energy: -113.025
tors. eta vs tors. theta energy: -211.170
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: 4, replica: 6
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -2408.319798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.319798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.766003 (E_RNA)
where:
Base-Base interactions energy: -1626.793
where: short stacking energy: -726.314
Base-Backbone interact. energy: -0.883
local terms energy: -782.090160
where:
bonds (distance) C4'-P energy: -139.254
bonds (distance) P-C4' energy: -154.382
flat angles C4'-P-C4' energy: -170.459
flat angles P-C4'-P energy: -116.029
tors. eta vs tors. theta energy: -201.967
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: 5, replica: 1
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -2320.008470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.008470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.862278 (E_RNA)
where:
Base-Base interactions energy: -1610.035
where: short stacking energy: -663.247
Base-Backbone interact. energy: -3.843
local terms energy: -707.984512
where:
bonds (distance) C4'-P energy: -130.607
bonds (distance) P-C4' energy: -120.796
flat angles C4'-P-C4' energy: -164.423
flat angles P-C4'-P energy: -96.899
tors. eta vs tors. theta energy: -195.259
Dist. restrs. and SS energy: 1.854 (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: 5
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -2192.421392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.421392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.004255 (E_RNA)
where:
Base-Base interactions energy: -1459.990
where: short stacking energy: -647.760
Base-Backbone interact. energy: -1.798
local terms energy: -732.215645
where:
bonds (distance) C4'-P energy: -127.568
bonds (distance) P-C4' energy: -151.222
flat angles C4'-P-C4' energy: -164.385
flat angles P-C4'-P energy: -108.413
tors. eta vs tors. theta energy: -180.628
Dist. restrs. and SS energy: 1.583 (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: 8
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -2124.089551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.089551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.626035 (E_RNA)
where:
Base-Base interactions energy: -1436.737
where: short stacking energy: -618.332
Base-Backbone interact. energy: 2.247
local terms energy: -692.135653
where:
bonds (distance) C4'-P energy: -149.427
bonds (distance) P-C4' energy: -137.691
flat angles C4'-P-C4' energy: -163.339
flat angles P-C4'-P energy: -94.926
tors. eta vs tors. theta energy: -146.753
Dist. restrs. and SS energy: 2.536 (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: 2
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -2001.870965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.870965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.320243 (E_RNA)
where:
Base-Base interactions energy: -1370.878
where: short stacking energy: -549.087
Base-Backbone interact. energy: -0.387
local terms energy: -633.054934
where:
bonds (distance) C4'-P energy: -128.269
bonds (distance) P-C4' energy: -133.340
flat angles C4'-P-C4' energy: -135.076
flat angles P-C4'-P energy: -94.436
tors. eta vs tors. theta energy: -141.934
Dist. restrs. and SS energy: 2.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -1918.633840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.633840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.300330 (E_RNA)
where:
Base-Base interactions energy: -1311.970
where: short stacking energy: -557.067
Base-Backbone interact. energy: 1.281
local terms energy: -611.610828
where:
bonds (distance) C4'-P energy: -110.751
bonds (distance) P-C4' energy: -139.740
flat angles C4'-P-C4' energy: -138.155
flat angles P-C4'-P energy: -79.246
tors. eta vs tors. theta energy: -143.718
Dist. restrs. and SS energy: 3.666 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -1897.201595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.201595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.593419 (E_RNA)
where:
Base-Base interactions energy: -1287.451
where: short stacking energy: -517.717
Base-Backbone interact. energy: 2.537
local terms energy: -615.679395
where:
bonds (distance) C4'-P energy: -129.424
bonds (distance) P-C4' energy: -118.212
flat angles C4'-P-C4' energy: -132.855
flat angles P-C4'-P energy: -95.568
tors. eta vs tors. theta energy: -139.620
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: 1, replica: 9
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -2773.627617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2773.627617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.777345 (E_RNA)
where:
Base-Base interactions energy: -1898.035
where: short stacking energy: -806.030
Base-Backbone interact. energy: 1.146
local terms energy: -877.887399
where:
bonds (distance) C4'-P energy: -155.776
bonds (distance) P-C4' energy: -173.549
flat angles C4'-P-C4' energy: -173.378
flat angles P-C4'-P energy: -130.296
tors. eta vs tors. theta energy: -244.889
Dist. restrs. and SS energy: 1.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -2653.553682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.553682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.870401 (E_RNA)
where:
Base-Base interactions energy: -1832.521
where: short stacking energy: -783.061
Base-Backbone interact. energy: 5.022
local terms energy: -827.371344
where:
bonds (distance) C4'-P energy: -145.498
bonds (distance) P-C4' energy: -158.479
flat angles C4'-P-C4' energy: -179.111
flat angles P-C4'-P energy: -122.639
tors. eta vs tors. theta energy: -221.645
Dist. restrs. and SS energy: 1.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -2491.522991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.522991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.215966 (E_RNA)
where:
Base-Base interactions energy: -1668.475
where: short stacking energy: -717.666
Base-Backbone interact. energy: -0.247
local terms energy: -824.493709
where:
bonds (distance) C4'-P energy: -155.557
bonds (distance) P-C4' energy: -170.732
flat angles C4'-P-C4' energy: -170.334
flat angles P-C4'-P energy: -116.847
tors. eta vs tors. theta energy: -211.024
Dist. restrs. and SS energy: 1.693 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -2399.517152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.517152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.040126 (E_RNA)
where:
Base-Base interactions energy: -1620.061
where: short stacking energy: -710.012
Base-Backbone interact. energy: 5.407
local terms energy: -786.385701
where:
bonds (distance) C4'-P energy: -137.966
bonds (distance) P-C4' energy: -159.768
flat angles C4'-P-C4' energy: -164.133
flat angles P-C4'-P energy: -118.489
tors. eta vs tors. theta energy: -206.030
Dist. restrs. and SS energy: 1.523 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -2339.154854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.154854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.068268 (E_RNA)
where:
Base-Base interactions energy: -1601.243
where: short stacking energy: -701.035
Base-Backbone interact. energy: 2.797
local terms energy: -741.622280
where:
bonds (distance) C4'-P energy: -143.912
bonds (distance) P-C4' energy: -137.177
flat angles C4'-P-C4' energy: -158.981
flat angles P-C4'-P energy: -105.333
tors. eta vs tors. theta energy: -196.220
Dist. restrs. and SS energy: 0.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -2177.570215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.570215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.298695 (E_RNA)
where:
Base-Base interactions energy: -1444.749
where: short stacking energy: -633.927
Base-Backbone interact. energy: 0.485
local terms energy: -735.034466
where:
bonds (distance) C4'-P energy: -147.503
bonds (distance) P-C4' energy: -123.984
flat angles C4'-P-C4' energy: -175.834
flat angles P-C4'-P energy: -104.396
tors. eta vs tors. theta energy: -183.317
Dist. restrs. and SS energy: 1.728 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -2066.549173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.549173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.456918 (E_RNA)
where:
Base-Base interactions energy: -1405.263
where: short stacking energy: -608.767
Base-Backbone interact. energy: 2.407
local terms energy: -666.600792
where:
bonds (distance) C4'-P energy: -124.022
bonds (distance) P-C4' energy: -144.656
flat angles C4'-P-C4' energy: -140.885
flat angles P-C4'-P energy: -82.833
tors. eta vs tors. theta energy: -174.204
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: 8, replica: 2
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -1992.659266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.659266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.297239 (E_RNA)
where:
Base-Base interactions energy: -1360.483
where: short stacking energy: -589.688
Base-Backbone interact. energy: 3.999
local terms energy: -638.813181
where:
bonds (distance) C4'-P energy: -141.285
bonds (distance) P-C4' energy: -129.964
flat angles C4'-P-C4' energy: -134.375
flat angles P-C4'-P energy: -82.909
tors. eta vs tors. theta energy: -150.280
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: 9, replica: 10
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -1903.713730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.713730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.894048 (E_RNA)
where:
Base-Base interactions energy: -1281.888
where: short stacking energy: -532.470
Base-Backbone interact. energy: -1.701
local terms energy: -622.304328
where:
bonds (distance) C4'-P energy: -120.046
bonds (distance) P-C4' energy: -138.736
flat angles C4'-P-C4' energy: -138.595
flat angles P-C4'-P energy: -100.789
tors. eta vs tors. theta energy: -124.138
Dist. restrs. and SS energy: 2.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -1885.709629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.709629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.511393 (E_RNA)
where:
Base-Base interactions energy: -1292.965
where: short stacking energy: -527.201
Base-Backbone interact. energy: 7.172
local terms energy: -602.718999
where:
bonds (distance) C4'-P energy: -132.622
bonds (distance) P-C4' energy: -111.850
flat angles C4'-P-C4' energy: -153.822
flat angles P-C4'-P energy: -79.880
tors. eta vs tors. theta energy: -124.546
Dist. restrs. and SS energy: 2.802 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -2810.072979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.072979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.268100 (E_RNA)
where:
Base-Base interactions energy: -1907.834
where: short stacking energy: -810.411
Base-Backbone interact. energy: -3.938
local terms energy: -899.496780
where:
bonds (distance) C4'-P energy: -151.237
bonds (distance) P-C4' energy: -179.654
flat angles C4'-P-C4' energy: -195.303
flat angles P-C4'-P energy: -128.938
tors. eta vs tors. theta energy: -244.365
Dist. restrs. and SS energy: 1.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -2659.684373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.684373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.834882 (E_RNA)
where:
Base-Base interactions energy: -1851.417
where: short stacking energy: -786.325
Base-Backbone interact. energy: 10.610
local terms energy: -820.027474
where:
bonds (distance) C4'-P energy: -142.599
bonds (distance) P-C4' energy: -155.514
flat angles C4'-P-C4' energy: -184.816
flat angles P-C4'-P energy: -113.271
tors. eta vs tors. theta energy: -223.827
Dist. restrs. and SS energy: 1.151 (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: 4
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -2546.067116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.067116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.762957 (E_RNA)
where:
Base-Base interactions energy: -1739.665
where: short stacking energy: -760.100
Base-Backbone interact. energy: 5.899
local terms energy: -813.997294
where:
bonds (distance) C4'-P energy: -136.798
bonds (distance) P-C4' energy: -153.060
flat angles C4'-P-C4' energy: -167.211
flat angles P-C4'-P energy: -128.960
tors. eta vs tors. theta energy: -227.969
Dist. restrs. and SS energy: 1.696 (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: 6
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -2404.819278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.819278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.944027 (E_RNA)
where:
Base-Base interactions energy: -1639.292
where: short stacking energy: -704.836
Base-Backbone interact. energy: -1.944
local terms energy: -765.707263
where:
bonds (distance) C4'-P energy: -144.875
bonds (distance) P-C4' energy: -137.769
flat angles C4'-P-C4' energy: -167.481
flat angles P-C4'-P energy: -117.145
tors. eta vs tors. theta energy: -198.438
Dist. restrs. and SS energy: 2.125 (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: 1
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -2253.084102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.084102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.058997 (E_RNA)
where:
Base-Base interactions energy: -1495.548
where: short stacking energy: -668.318
Base-Backbone interact. energy: 2.145
local terms energy: -762.655998
where:
bonds (distance) C4'-P energy: -137.403
bonds (distance) P-C4' energy: -155.671
flat angles C4'-P-C4' energy: -172.249
flat angles P-C4'-P energy: -101.267
tors. eta vs tors. theta energy: -196.065
Dist. restrs. and SS energy: 2.975 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -2135.701737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.701737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.661987 (E_RNA)
where:
Base-Base interactions energy: -1404.472
where: short stacking energy: -602.837
Base-Backbone interact. energy: -1.935
local terms energy: -731.254410
where:
bonds (distance) C4'-P energy: -134.561
bonds (distance) P-C4' energy: -142.184
flat angles C4'-P-C4' energy: -176.986
flat angles P-C4'-P energy: -104.583
tors. eta vs tors. theta energy: -172.941
Dist. restrs. and SS energy: 1.960 (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: 8
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -2114.281296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.281296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.315657 (E_RNA)
where:
Base-Base interactions energy: -1441.467
where: short stacking energy: -606.992
Base-Backbone interact. energy: -1.484
local terms energy: -673.365593
where:
bonds (distance) C4'-P energy: -130.565
bonds (distance) P-C4' energy: -140.299
flat angles C4'-P-C4' energy: -146.932
flat angles P-C4'-P energy: -93.539
tors. eta vs tors. theta energy: -162.031
Dist. restrs. and SS energy: 2.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -2065.822947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.822947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.610671 (E_RNA)
where:
Base-Base interactions energy: -1402.482
where: short stacking energy: -610.157
Base-Backbone interact. energy: 4.152
local terms energy: -669.280530
where:
bonds (distance) C4'-P energy: -122.243
bonds (distance) P-C4' energy: -140.894
flat angles C4'-P-C4' energy: -157.503
flat angles P-C4'-P energy: -93.635
tors. eta vs tors. theta energy: -155.006
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: 9, replica: 3
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -1906.077709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.077709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.391236 (E_RNA)
where:
Base-Base interactions energy: -1306.107
where: short stacking energy: -574.707
Base-Backbone interact. energy: 2.726
local terms energy: -606.010218
where:
bonds (distance) C4'-P energy: -118.785
bonds (distance) P-C4' energy: -121.980
flat angles C4'-P-C4' energy: -155.006
flat angles P-C4'-P energy: -73.390
tors. eta vs tors. theta energy: -136.849
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: 10, replica: 10
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -1811.911986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.911986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.126405 (E_RNA)
where:
Base-Base interactions energy: -1266.780
where: short stacking energy: -526.779
Base-Backbone interact. energy: -3.303
local terms energy: -548.043569
where:
bonds (distance) C4'-P energy: -108.046
bonds (distance) P-C4' energy: -118.353
flat angles C4'-P-C4' energy: -138.465
flat angles P-C4'-P energy: -60.090
tors. eta vs tors. theta energy: -123.089
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: 1, replica: 9
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -2814.186967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.186967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2815.563442 (E_RNA)
where:
Base-Base interactions energy: -1941.533
where: short stacking energy: -817.007
Base-Backbone interact. energy: -2.390
local terms energy: -871.639993
where:
bonds (distance) C4'-P energy: -158.763
bonds (distance) P-C4' energy: -166.251
flat angles C4'-P-C4' energy: -187.806
flat angles P-C4'-P energy: -119.312
tors. eta vs tors. theta energy: -239.507
Dist. restrs. and SS energy: 1.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -2640.572432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.572432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.187103 (E_RNA)
where:
Base-Base interactions energy: -1846.385
where: short stacking energy: -799.741
Base-Backbone interact. energy: 1.904
local terms energy: -797.706079
where:
bonds (distance) C4'-P energy: -139.282
bonds (distance) P-C4' energy: -140.506
flat angles C4'-P-C4' energy: -183.123
flat angles P-C4'-P energy: -116.365
tors. eta vs tors. theta energy: -218.431
Dist. restrs. and SS energy: 1.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -2546.193052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.193052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.578563 (E_RNA)
where:
Base-Base interactions energy: -1747.180
where: short stacking energy: -771.135
Base-Backbone interact. energy: 2.600
local terms energy: -803.998503
where:
bonds (distance) C4'-P energy: -133.773
bonds (distance) P-C4' energy: -156.443
flat angles C4'-P-C4' energy: -172.178
flat angles P-C4'-P energy: -120.154
tors. eta vs tors. theta energy: -221.450
Dist. restrs. and SS energy: 2.386 (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: 6
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -2427.396235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.396235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.316798 (E_RNA)
where:
Base-Base interactions energy: -1643.546
where: short stacking energy: -720.591
Base-Backbone interact. energy: 3.746
local terms energy: -790.517543
where:
bonds (distance) C4'-P energy: -146.084
bonds (distance) P-C4' energy: -146.546
flat angles C4'-P-C4' energy: -169.687
flat angles P-C4'-P energy: -117.520
tors. eta vs tors. theta energy: -210.680
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: 1
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -2354.718303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.718303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.427737 (E_RNA)
where:
Base-Base interactions energy: -1571.931
where: short stacking energy: -678.727
Base-Backbone interact. energy: -1.735
local terms energy: -783.762042
where:
bonds (distance) C4'-P energy: -144.771
bonds (distance) P-C4' energy: -155.318
flat angles C4'-P-C4' energy: -166.775
flat angles P-C4'-P energy: -112.865
tors. eta vs tors. theta energy: -204.033
Dist. restrs. and SS energy: 2.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -2175.199343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.199343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.014399 (E_RNA)
where:
Base-Base interactions energy: -1481.093
where: short stacking energy: -642.787
Base-Backbone interact. energy: 3.249
local terms energy: -700.170062
where:
bonds (distance) C4'-P energy: -128.397
bonds (distance) P-C4' energy: -139.207
flat angles C4'-P-C4' energy: -164.218
flat angles P-C4'-P energy: -95.089
tors. eta vs tors. theta energy: -173.259
Dist. restrs. and SS energy: 2.815 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -2111.166089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.166089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.971447 (E_RNA)
where:
Base-Base interactions energy: -1416.583
where: short stacking energy: -609.215
Base-Backbone interact. energy: -4.523
local terms energy: -693.865528
where:
bonds (distance) C4'-P energy: -114.095
bonds (distance) P-C4' energy: -149.666
flat angles C4'-P-C4' energy: -165.521
flat angles P-C4'-P energy: -109.628
tors. eta vs tors. theta energy: -154.955
Dist. restrs. and SS energy: 3.805 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -2018.794630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.794630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.301386 (E_RNA)
where:
Base-Base interactions energy: -1358.006
where: short stacking energy: -585.708
Base-Backbone interact. energy: 9.049
local terms energy: -673.344277
where:
bonds (distance) C4'-P energy: -112.463
bonds (distance) P-C4' energy: -148.557
flat angles C4'-P-C4' energy: -150.667
flat angles P-C4'-P energy: -95.769
tors. eta vs tors. theta energy: -165.889
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: 9, replica: 3
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -1957.448082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.448082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.942947 (E_RNA)
where:
Base-Base interactions energy: -1312.351
where: short stacking energy: -547.760
Base-Backbone interact. energy: 4.466
local terms energy: -651.057522
where:
bonds (distance) C4'-P energy: -138.560
bonds (distance) P-C4' energy: -126.728
flat angles C4'-P-C4' energy: -145.524
flat angles P-C4'-P energy: -89.748
tors. eta vs tors. theta energy: -150.498
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: 10, replica: 10
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -1767.980791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.980791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.558628 (E_RNA)
where:
Base-Base interactions energy: -1173.842
where: short stacking energy: -475.256
Base-Backbone interact. energy: -0.592
local terms energy: -605.124290
where:
bonds (distance) C4'-P energy: -137.026
bonds (distance) P-C4' energy: -117.848
flat angles C4'-P-C4' energy: -140.032
flat angles P-C4'-P energy: -93.947
tors. eta vs tors. theta energy: -116.271
Dist. restrs. and SS energy: 11.578 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -2821.306778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.306778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2823.264602 (E_RNA)
where:
Base-Base interactions energy: -1975.283
where: short stacking energy: -839.541
Base-Backbone interact. energy: -1.681
local terms energy: -846.300082
where:
bonds (distance) C4'-P energy: -157.660
bonds (distance) P-C4' energy: -149.347
flat angles C4'-P-C4' energy: -171.920
flat angles P-C4'-P energy: -126.610
tors. eta vs tors. theta energy: -240.763
Dist. restrs. and SS energy: 1.958 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -2683.295897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.295897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.189611 (E_RNA)
where:
Base-Base interactions energy: -1842.703
where: short stacking energy: -786.254
Base-Backbone interact. energy: -1.196
local terms energy: -842.290143
where:
bonds (distance) C4'-P energy: -148.275
bonds (distance) P-C4' energy: -169.851
flat angles C4'-P-C4' energy: -187.990
flat angles P-C4'-P energy: -118.036
tors. eta vs tors. theta energy: -218.138
Dist. restrs. and SS energy: 2.894 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -2535.769060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.769060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.665474 (E_RNA)
where:
Base-Base interactions energy: -1744.479
where: short stacking energy: -744.940
Base-Backbone interact. energy: 3.520
local terms energy: -796.706738
where:
bonds (distance) C4'-P energy: -148.177
bonds (distance) P-C4' energy: -151.370
flat angles C4'-P-C4' energy: -172.600
flat angles P-C4'-P energy: -127.376
tors. eta vs tors. theta energy: -197.184
Dist. restrs. and SS energy: 1.896 (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: 6
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -2375.200652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.200652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.817264 (E_RNA)
where:
Base-Base interactions energy: -1614.097
where: short stacking energy: -687.809
Base-Backbone interact. energy: -3.030
local terms energy: -760.690697
where:
bonds (distance) C4'-P energy: -137.213
bonds (distance) P-C4' energy: -158.372
flat angles C4'-P-C4' energy: -171.064
flat angles P-C4'-P energy: -99.423
tors. eta vs tors. theta energy: -194.618
Dist. restrs. and SS energy: 2.617 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -2283.525466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.525466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.762926 (E_RNA)
where:
Base-Base interactions energy: -1528.964
where: short stacking energy: -682.795
Base-Backbone interact. energy: 2.815
local terms energy: -758.613638
where:
bonds (distance) C4'-P energy: -144.860
bonds (distance) P-C4' energy: -153.738
flat angles C4'-P-C4' energy: -163.582
flat angles P-C4'-P energy: -113.034
tors. eta vs tors. theta energy: -183.399
Dist. restrs. and SS energy: 1.237 (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: 5
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -2179.579597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.579597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.898004 (E_RNA)
where:
Base-Base interactions energy: -1447.589
where: short stacking energy: -633.999
Base-Backbone interact. energy: -0.200
local terms energy: -734.109041
where:
bonds (distance) C4'-P energy: -143.730
bonds (distance) P-C4' energy: -140.205
flat angles C4'-P-C4' energy: -159.771
flat angles P-C4'-P energy: -105.499
tors. eta vs tors. theta energy: -184.904
Dist. restrs. and SS energy: 2.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -2102.793909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.793909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.017024 (E_RNA)
where:
Base-Base interactions energy: -1419.121
where: short stacking energy: -617.666
Base-Backbone interact. energy: -0.383
local terms energy: -686.513408
where:
bonds (distance) C4'-P energy: -134.190
bonds (distance) P-C4' energy: -130.996
flat angles C4'-P-C4' energy: -152.778
flat angles P-C4'-P energy: -99.291
tors. eta vs tors. theta energy: -169.258
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: 8, replica: 2
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -2023.092429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.092429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.758478 (E_RNA)
where:
Base-Base interactions energy: -1361.346
where: short stacking energy: -594.634
Base-Backbone interact. energy: -1.845
local terms energy: -663.567626
where:
bonds (distance) C4'-P energy: -130.129
bonds (distance) P-C4' energy: -157.261
flat angles C4'-P-C4' energy: -149.477
flat angles P-C4'-P energy: -81.062
tors. eta vs tors. theta energy: -145.638
Dist. restrs. and SS energy: 3.666 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -1931.549181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.549181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.931039 (E_RNA)
where:
Base-Base interactions energy: -1320.845
where: short stacking energy: -557.841
Base-Backbone interact. energy: 0.350
local terms energy: -613.435770
where:
bonds (distance) C4'-P energy: -124.212
bonds (distance) P-C4' energy: -121.984
flat angles C4'-P-C4' energy: -143.320
flat angles P-C4'-P energy: -84.023
tors. eta vs tors. theta energy: -139.896
Dist. restrs. and SS energy: 2.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -1838.935622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.935622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.183821 (E_RNA)
where:
Base-Base interactions energy: -1254.421
where: short stacking energy: -511.882
Base-Backbone interact. energy: -1.264
local terms energy: -585.498328
where:
bonds (distance) C4'-P energy: -132.248
bonds (distance) P-C4' energy: -127.894
flat angles C4'-P-C4' energy: -148.146
flat angles P-C4'-P energy: -65.724
tors. eta vs tors. theta energy: -111.487
Dist. restrs. and SS energy: 2.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -2797.560008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.560008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.248809 (E_RNA)
where:
Base-Base interactions energy: -1933.752
where: short stacking energy: -843.009
Base-Backbone interact. energy: -4.551
local terms energy: -860.945459
where:
bonds (distance) C4'-P energy: -144.003
bonds (distance) P-C4' energy: -169.037
flat angles C4'-P-C4' energy: -191.725
flat angles P-C4'-P energy: -114.739
tors. eta vs tors. theta energy: -241.441
Dist. restrs. and SS energy: 1.689 (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: 7
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -2665.254423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.254423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.820173 (E_RNA)
where:
Base-Base interactions energy: -1849.098
where: short stacking energy: -778.022
Base-Backbone interact. energy: 5.618
local terms energy: -823.339849
where:
bonds (distance) C4'-P energy: -138.144
bonds (distance) P-C4' energy: -161.388
flat angles C4'-P-C4' energy: -175.055
flat angles P-C4'-P energy: -112.178
tors. eta vs tors. theta energy: -236.576
Dist. restrs. and SS energy: 1.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -2522.819518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.819518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.453404 (E_RNA)
where:
Base-Base interactions energy: -1726.865
where: short stacking energy: -752.048
Base-Backbone interact. energy: 5.690
local terms energy: -804.277841
where:
bonds (distance) C4'-P energy: -152.125
bonds (distance) P-C4' energy: -156.409
flat angles C4'-P-C4' energy: -159.295
flat angles P-C4'-P energy: -120.139
tors. eta vs tors. theta energy: -216.309
Dist. restrs. and SS energy: 2.634 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -2374.473791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.473791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.768010 (E_RNA)
where:
Base-Base interactions energy: -1600.079
where: short stacking energy: -719.721
Base-Backbone interact. energy: -4.318
local terms energy: -771.370469
where:
bonds (distance) C4'-P energy: -140.017
bonds (distance) P-C4' energy: -150.858
flat angles C4'-P-C4' energy: -164.529
flat angles P-C4'-P energy: -113.888
tors. eta vs tors. theta energy: -202.078
Dist. restrs. and SS energy: 1.294 (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: 1
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -2275.058116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.058116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.979567 (E_RNA)
where:
Base-Base interactions energy: -1534.418
where: short stacking energy: -683.874
Base-Backbone interact. energy: -3.275
local terms energy: -739.286838
where:
bonds (distance) C4'-P energy: -130.289
bonds (distance) P-C4' energy: -155.189
flat angles C4'-P-C4' energy: -157.303
flat angles P-C4'-P energy: -108.582
tors. eta vs tors. theta energy: -187.925
Dist. restrs. and SS energy: 1.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -2207.046924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.046924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.290459 (E_RNA)
where:
Base-Base interactions energy: -1472.140
where: short stacking energy: -664.152
Base-Backbone interact. energy: -2.178
local terms energy: -734.972326
where:
bonds (distance) C4'-P energy: -143.021
bonds (distance) P-C4' energy: -153.944
flat angles C4'-P-C4' energy: -146.836
flat angles P-C4'-P energy: -104.010
tors. eta vs tors. theta energy: -187.162
Dist. restrs. and SS energy: 2.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -2057.655622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.655622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.349153 (E_RNA)
where:
Base-Base interactions energy: -1405.967
where: short stacking energy: -620.142
Base-Backbone interact. energy: 1.144
local terms energy: -655.527039
where:
bonds (distance) C4'-P energy: -130.752
bonds (distance) P-C4' energy: -119.148
flat angles C4'-P-C4' energy: -150.047
flat angles P-C4'-P energy: -103.555
tors. eta vs tors. theta energy: -152.024
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: 8, replica: 3
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -1998.443186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.443186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.516910 (E_RNA)
where:
Base-Base interactions energy: -1358.347
where: short stacking energy: -585.351
Base-Backbone interact. energy: 1.403
local terms energy: -644.572859
where:
bonds (distance) C4'-P energy: -137.805
bonds (distance) P-C4' energy: -120.252
flat angles C4'-P-C4' energy: -155.344
flat angles P-C4'-P energy: -90.186
tors. eta vs tors. theta energy: -140.986
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: 9, replica: 2
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -1943.354363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.354363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.065283 (E_RNA)
where:
Base-Base interactions energy: -1314.861
where: short stacking energy: -541.849
Base-Backbone interact. energy: -3.043
local terms energy: -628.161259
where:
bonds (distance) C4'-P energy: -117.197
bonds (distance) P-C4' energy: -125.440
flat angles C4'-P-C4' energy: -152.457
flat angles P-C4'-P energy: -72.983
tors. eta vs tors. theta energy: -160.084
Dist. restrs. and SS energy: 2.711 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -1825.353192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.353192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.533661 (E_RNA)
where:
Base-Base interactions energy: -1210.553
where: short stacking energy: -517.457
Base-Backbone interact. energy: 5.650
local terms energy: -623.630263
where:
bonds (distance) C4'-P energy: -121.108
bonds (distance) P-C4' energy: -129.430
flat angles C4'-P-C4' energy: -145.979
flat angles P-C4'-P energy: -87.674
tors. eta vs tors. theta energy: -139.438
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: 1, replica: 9
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -2809.383637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.383637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.058308 (E_RNA)
where:
Base-Base interactions energy: -1951.142
where: short stacking energy: -832.212
Base-Backbone interact. energy: -2.707
local terms energy: -857.209086
where:
bonds (distance) C4'-P energy: -161.767
bonds (distance) P-C4' energy: -158.376
flat angles C4'-P-C4' energy: -179.267
flat angles P-C4'-P energy: -113.602
tors. eta vs tors. theta energy: -244.197
Dist. restrs. and SS energy: 1.675 (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: 7
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -2688.336211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.336211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.070634 (E_RNA)
where:
Base-Base interactions energy: -1837.128
where: short stacking energy: -771.000
Base-Backbone interact. energy: 7.441
local terms energy: -860.383796
where:
bonds (distance) C4'-P energy: -162.552
bonds (distance) P-C4' energy: -159.327
flat angles C4'-P-C4' energy: -177.717
flat angles P-C4'-P energy: -131.702
tors. eta vs tors. theta energy: -229.085
Dist. restrs. and SS energy: 1.734 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -2537.265040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.265040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.976805 (E_RNA)
where:
Base-Base interactions energy: -1742.803
where: short stacking energy: -754.148
Base-Backbone interact. energy: -3.370
local terms energy: -792.803355
where:
bonds (distance) C4'-P energy: -144.004
bonds (distance) P-C4' energy: -155.027
flat angles C4'-P-C4' energy: -166.495
flat angles P-C4'-P energy: -107.319
tors. eta vs tors. theta energy: -219.958
Dist. restrs. and SS energy: 1.712 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -2393.272917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.272917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.421310 (E_RNA)
where:
Base-Base interactions energy: -1608.071
where: short stacking energy: -711.173
Base-Backbone interact. energy: -2.940
local terms energy: -784.409495
where:
bonds (distance) C4'-P energy: -147.462
bonds (distance) P-C4' energy: -147.058
flat angles C4'-P-C4' energy: -171.222
flat angles P-C4'-P energy: -118.237
tors. eta vs tors. theta energy: -200.431
Dist. restrs. and SS energy: 2.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -2297.262592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.262592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.294486 (E_RNA)
where:
Base-Base interactions energy: -1550.990
where: short stacking energy: -670.232
Base-Backbone interact. energy: 3.927
local terms energy: -753.231259
where:
bonds (distance) C4'-P energy: -140.938
bonds (distance) P-C4' energy: -140.324
flat angles C4'-P-C4' energy: -153.613
flat angles P-C4'-P energy: -124.010
tors. eta vs tors. theta energy: -194.347
Dist. restrs. and SS energy: 3.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -2169.782851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.782851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.436736 (E_RNA)
where:
Base-Base interactions energy: -1466.543
where: short stacking energy: -640.359
Base-Backbone interact. energy: -3.164
local terms energy: -701.729763
where:
bonds (distance) C4'-P energy: -133.979
bonds (distance) P-C4' energy: -138.785
flat angles C4'-P-C4' energy: -170.084
flat angles P-C4'-P energy: -86.901
tors. eta vs tors. theta energy: -171.981
Dist. restrs. and SS energy: 1.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -2039.865116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.865116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.180725 (E_RNA)
where:
Base-Base interactions energy: -1389.127
where: short stacking energy: -587.153
Base-Backbone interact. energy: -0.597
local terms energy: -652.456165
where:
bonds (distance) C4'-P energy: -136.671
bonds (distance) P-C4' energy: -125.877
flat angles C4'-P-C4' energy: -144.627
flat angles P-C4'-P energy: -93.176
tors. eta vs tors. theta energy: -152.106
Dist. restrs. and SS energy: 2.316 (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: 3
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -2081.598561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.598561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.310713 (E_RNA)
where:
Base-Base interactions energy: -1370.639
where: short stacking energy: -590.199
Base-Backbone interact. energy: 1.573
local terms energy: -714.245063
where:
bonds (distance) C4'-P energy: -134.912
bonds (distance) P-C4' energy: -149.251
flat angles C4'-P-C4' energy: -159.358
flat angles P-C4'-P energy: -107.365
tors. eta vs tors. theta energy: -163.359
Dist. restrs. and SS energy: 1.712 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -2025.624172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.624172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.040133 (E_RNA)
where:
Base-Base interactions energy: -1392.722
where: short stacking energy: -577.772
Base-Backbone interact. energy: 4.274
local terms energy: -639.591466
where:
bonds (distance) C4'-P energy: -118.775
bonds (distance) P-C4' energy: -122.913
flat angles C4'-P-C4' energy: -148.304
flat angles P-C4'-P energy: -80.962
tors. eta vs tors. theta energy: -168.637
Dist. restrs. and SS energy: 2.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -1848.280790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.280790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.260057 (E_RNA)
where:
Base-Base interactions energy: -1263.408
where: short stacking energy: -539.858
Base-Backbone interact. energy: -3.932
local terms energy: -584.919476
where:
bonds (distance) C4'-P energy: -117.311
bonds (distance) P-C4' energy: -138.464
flat angles C4'-P-C4' energy: -119.793
flat angles P-C4'-P energy: -79.344
tors. eta vs tors. theta energy: -130.006
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: 1, replica: 9
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -2799.736124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.736124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.495982 (E_RNA)
where:
Base-Base interactions energy: -1925.619
where: short stacking energy: -823.613
Base-Backbone interact. energy: -3.825
local terms energy: -872.052055
where:
bonds (distance) C4'-P energy: -162.959
bonds (distance) P-C4' energy: -168.258
flat angles C4'-P-C4' energy: -184.885
flat angles P-C4'-P energy: -126.027
tors. eta vs tors. theta energy: -229.924
Dist. restrs. and SS energy: 1.760 (S_DIST_RNA)
chem. 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: -2674.377167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.377167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.398774 (E_RNA)
where:
Base-Base interactions energy: -1845.298
where: short stacking energy: -791.767
Base-Backbone interact. energy: 1.752
local terms energy: -832.852608
where:
bonds (distance) C4'-P energy: -153.986
bonds (distance) P-C4' energy: -156.900
flat angles C4'-P-C4' energy: -176.724
flat angles P-C4'-P energy: -118.378
tors. eta vs tors. theta energy: -226.865
Dist. restrs. and SS energy: 2.022 (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: 4
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -2550.717179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.717179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.065397 (E_RNA)
where:
Base-Base interactions energy: -1770.128
where: short stacking energy: -764.475
Base-Backbone interact. energy: 0.252
local terms energy: -782.189393
where:
bonds (distance) C4'-P energy: -138.513
bonds (distance) P-C4' energy: -142.787
flat angles C4'-P-C4' energy: -173.575
flat angles P-C4'-P energy: -115.621
tors. eta vs tors. theta energy: -211.694
Dist. restrs. and SS energy: 1.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -2374.643465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.643465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.252761 (E_RNA)
where:
Base-Base interactions energy: -1586.571
where: short stacking energy: -682.909
Base-Backbone interact. energy: 0.414
local terms energy: -790.095388
where:
bonds (distance) C4'-P energy: -151.684
bonds (distance) P-C4' energy: -149.223
flat angles C4'-P-C4' energy: -167.362
flat angles P-C4'-P energy: -120.835
tors. eta vs tors. theta energy: -200.992
Dist. restrs. and SS energy: 1.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -2299.221991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.221991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.885352 (E_RNA)
where:
Base-Base interactions energy: -1519.631
where: short stacking energy: -678.766
Base-Backbone interact. energy: -4.812
local terms energy: -777.442287
where:
bonds (distance) C4'-P energy: -156.356
bonds (distance) P-C4' energy: -149.914
flat angles C4'-P-C4' energy: -158.121
flat angles P-C4'-P energy: -110.137
tors. eta vs tors. theta energy: -202.914
Dist. restrs. and SS energy: 2.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -2156.387031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.387031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.976432 (E_RNA)
where:
Base-Base interactions energy: -1423.597
where: short stacking energy: -612.810
Base-Backbone interact. energy: -0.472
local terms energy: -734.907530
where:
bonds (distance) C4'-P energy: -142.786
bonds (distance) P-C4' energy: -164.244
flat angles C4'-P-C4' energy: -153.713
flat angles P-C4'-P energy: -105.318
tors. eta vs tors. theta energy: -168.846
Dist. restrs. and SS energy: 2.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -2084.051728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.051728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.475086 (E_RNA)
where:
Base-Base interactions energy: -1373.783
where: short stacking energy: -603.066
Base-Backbone interact. energy: -3.119
local terms energy: -708.573046
where:
bonds (distance) C4'-P energy: -133.067
bonds (distance) P-C4' energy: -158.115
flat angles C4'-P-C4' energy: -152.328
flat angles P-C4'-P energy: -98.612
tors. eta vs tors. theta energy: -166.450
Dist. restrs. and SS energy: 1.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -2058.053725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.053725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.498554 (E_RNA)
where:
Base-Base interactions energy: -1398.585
where: short stacking energy: -597.069
Base-Backbone interact. energy: 2.878
local terms energy: -664.791666
where:
bonds (distance) C4'-P energy: -161.395
bonds (distance) P-C4' energy: -127.463
flat angles C4'-P-C4' energy: -139.736
flat angles P-C4'-P energy: -85.314
tors. eta vs tors. theta energy: -150.883
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: 9, replica: 3
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -1959.574946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.574946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.040993 (E_RNA)
where:
Base-Base interactions energy: -1339.234
where: short stacking energy: -567.164
Base-Backbone interact. energy: 4.940
local terms energy: -628.746656
where:
bonds (distance) C4'-P energy: -123.327
bonds (distance) P-C4' energy: -134.443
flat angles C4'-P-C4' energy: -119.195
flat angles P-C4'-P energy: -94.167
tors. eta vs tors. theta energy: -157.615
Dist. restrs. and SS energy: 3.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -1875.979121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.979121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.941630 (E_RNA)
where:
Base-Base interactions energy: -1269.200
where: short stacking energy: -524.261
Base-Backbone interact. energy: -1.171
local terms energy: -608.571371
where:
bonds (distance) C4'-P energy: -119.934
bonds (distance) P-C4' energy: -131.425
flat angles C4'-P-C4' energy: -139.406
flat angles P-C4'-P energy: -91.122
tors. eta vs tors. theta energy: -126.685
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: 1, replica: 9
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -2812.685511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.685511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.593639 (E_RNA)
where:
Base-Base interactions energy: -1950.484
where: short stacking energy: -825.759
Base-Backbone interact. energy: 1.230
local terms energy: -864.340248
where:
bonds (distance) C4'-P energy: -161.638
bonds (distance) P-C4' energy: -157.405
flat angles C4'-P-C4' energy: -190.777
flat angles P-C4'-P energy: -118.320
tors. eta vs tors. theta energy: -236.200
Dist. restrs. and SS energy: 0.908 (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: 7
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -2691.709804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.709804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.311884 (E_RNA)
where:
Base-Base interactions energy: -1862.973
where: short stacking energy: -775.863
Base-Backbone interact. energy: -1.987
local terms energy: -828.352189
where:
bonds (distance) C4'-P energy: -150.375
bonds (distance) P-C4' energy: -157.452
flat angles C4'-P-C4' energy: -182.310
flat angles P-C4'-P energy: -129.799
tors. eta vs tors. theta energy: -208.417
Dist. restrs. and SS energy: 1.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -2645.036929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.036929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.264185 (E_RNA)
where:
Base-Base interactions energy: -1796.205
where: short stacking energy: -774.093
Base-Backbone interact. energy: -4.344
local terms energy: -845.715183
where:
bonds (distance) C4'-P energy: -154.641
bonds (distance) P-C4' energy: -168.880
flat angles C4'-P-C4' energy: -182.687
flat angles P-C4'-P energy: -114.880
tors. eta vs tors. theta energy: -224.628
Dist. restrs. and SS energy: 1.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -2407.534531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.534531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.809085 (E_RNA)
where:
Base-Base interactions energy: -1624.072
where: short stacking energy: -726.930
Base-Backbone interact. energy: -1.020
local terms energy: -784.716965
where:
bonds (distance) C4'-P energy: -148.327
bonds (distance) P-C4' energy: -132.010
flat angles C4'-P-C4' energy: -180.669
flat angles P-C4'-P energy: -115.580
tors. eta vs tors. theta energy: -208.130
Dist. restrs. and SS energy: 2.275 (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: 1
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -2304.228286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.228286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.564236 (E_RNA)
where:
Base-Base interactions energy: -1550.377
where: short stacking energy: -672.696
Base-Backbone interact. energy: 3.462
local terms energy: -758.649002
where:
bonds (distance) C4'-P energy: -145.462
bonds (distance) P-C4' energy: -144.156
flat angles C4'-P-C4' energy: -162.889
flat angles P-C4'-P energy: -116.233
tors. eta vs tors. theta energy: -189.909
Dist. restrs. and SS energy: 1.336 (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: 5
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -2138.010290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.010290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.312951 (E_RNA)
where:
Base-Base interactions energy: -1424.428
where: short stacking energy: -612.254
Base-Backbone interact. energy: -3.208
local terms energy: -713.676511
where:
bonds (distance) C4'-P energy: -139.473
bonds (distance) P-C4' energy: -129.128
flat angles C4'-P-C4' energy: -162.941
flat angles P-C4'-P energy: -112.370
tors. eta vs tors. theta energy: -169.764
Dist. restrs. and SS energy: 3.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -2081.147484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.147484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.635426 (E_RNA)
where:
Base-Base interactions energy: -1409.604
where: short stacking energy: -604.496
Base-Backbone interact. energy: -4.907
local terms energy: -669.123845
where:
bonds (distance) C4'-P energy: -115.743
bonds (distance) P-C4' energy: -133.987
flat angles C4'-P-C4' energy: -134.616
flat angles P-C4'-P energy: -112.440
tors. eta vs tors. theta energy: -172.338
Dist. restrs. and SS energy: 2.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -1980.345765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.345765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.294815 (E_RNA)
where:
Base-Base interactions energy: -1345.223
where: short stacking energy: -570.715
Base-Backbone interact. energy: 2.742
local terms energy: -639.813600
where:
bonds (distance) C4'-P energy: -140.731
bonds (distance) P-C4' energy: -134.654
flat angles C4'-P-C4' energy: -147.667
flat angles P-C4'-P energy: -80.187
tors. eta vs tors. theta energy: -136.575
Dist. restrs. and SS energy: 1.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -1901.277488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.277488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.351942 (E_RNA)
where:
Base-Base interactions energy: -1276.763
where: short stacking energy: -539.802
Base-Backbone interact. energy: 1.077
local terms energy: -629.666313
where:
bonds (distance) C4'-P energy: -142.016
bonds (distance) P-C4' energy: -132.064
flat angles C4'-P-C4' energy: -148.242
flat angles P-C4'-P energy: -74.633
tors. eta vs tors. theta energy: -132.712
Dist. restrs. and SS energy: 4.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -1877.691957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.691957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.995956 (E_RNA)
where:
Base-Base interactions energy: -1289.900
where: short stacking energy: -528.044
Base-Backbone interact. energy: 1.634
local terms energy: -591.730284
where:
bonds (distance) C4'-P energy: -116.726
bonds (distance) P-C4' energy: -93.919
flat angles C4'-P-C4' energy: -143.971
flat angles P-C4'-P energy: -101.422
tors. eta vs tors. theta energy: -135.692
Dist. restrs. and SS energy: 2.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -2800.589669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.589669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.182006 (E_RNA)
where:
Base-Base interactions energy: -1933.797
where: short stacking energy: -796.407
Base-Backbone interact. energy: -3.934
local terms energy: -864.450393
where:
bonds (distance) C4'-P energy: -149.407
bonds (distance) P-C4' energy: -173.396
flat angles C4'-P-C4' energy: -181.469
flat angles P-C4'-P energy: -119.487
tors. eta vs tors. theta energy: -240.692
Dist. restrs. and SS energy: 1.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -2698.318054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.318054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.295250 (E_RNA)
where:
Base-Base interactions energy: -1862.399
where: short stacking energy: -792.979
Base-Backbone interact. energy: 4.214
local terms energy: -842.110240
where:
bonds (distance) C4'-P energy: -142.844
bonds (distance) P-C4' energy: -160.484
flat angles C4'-P-C4' energy: -185.297
flat angles P-C4'-P energy: -127.338
tors. eta vs tors. theta energy: -226.148
Dist. restrs. and SS energy: 1.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -2570.083302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.083302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.871026 (E_RNA)
where:
Base-Base interactions energy: -1758.876
where: short stacking energy: -754.892
Base-Backbone interact. energy: -1.571
local terms energy: -811.424291
where:
bonds (distance) C4'-P energy: -163.161
bonds (distance) P-C4' energy: -155.365
flat angles C4'-P-C4' energy: -160.268
flat angles P-C4'-P energy: -116.967
tors. eta vs tors. theta energy: -215.665
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: 4, replica: 6
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -2409.491786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.491786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.252252 (E_RNA)
where:
Base-Base interactions energy: -1651.597
where: short stacking energy: -710.919
Base-Backbone interact. energy: -5.213
local terms energy: -754.442148
where:
bonds (distance) C4'-P energy: -143.798
bonds (distance) P-C4' energy: -154.129
flat angles C4'-P-C4' energy: -167.738
flat angles P-C4'-P energy: -100.733
tors. eta vs tors. theta energy: -188.045
Dist. restrs. and SS energy: 1.760 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -2371.044766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.044766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.468931 (E_RNA)
where:
Base-Base interactions energy: -1606.875
where: short stacking energy: -684.546
Base-Backbone interact. energy: 12.283
local terms energy: -777.876364
where:
bonds (distance) C4'-P energy: -150.279
bonds (distance) P-C4' energy: -150.828
flat angles C4'-P-C4' energy: -170.210
flat angles P-C4'-P energy: -117.398
tors. eta vs tors. theta energy: -189.162
Dist. restrs. and SS energy: 1.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -2174.137538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.137538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.433877 (E_RNA)
where:
Base-Base interactions energy: -1461.832
where: short stacking energy: -643.785
Base-Backbone interact. energy: 1.123
local terms energy: -715.724661
where:
bonds (distance) C4'-P energy: -116.975
bonds (distance) P-C4' energy: -158.633
flat angles C4'-P-C4' energy: -154.898
flat angles P-C4'-P energy: -107.208
tors. eta vs tors. theta energy: -178.011
Dist. restrs. and SS energy: 2.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -2099.798857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.798857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.709687 (E_RNA)
where:
Base-Base interactions energy: -1417.141
where: short stacking energy: -594.253
Base-Backbone interact. energy: -2.656
local terms energy: -681.913343
where:
bonds (distance) C4'-P energy: -127.241
bonds (distance) P-C4' energy: -148.748
flat angles C4'-P-C4' energy: -143.508
flat angles P-C4'-P energy: -104.899
tors. eta vs tors. theta energy: -157.519
Dist. restrs. and SS energy: 1.911 (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: 2
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -2013.477358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.477358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.508894 (E_RNA)
where:
Base-Base interactions energy: -1380.966
where: short stacking energy: -580.976
Base-Backbone interact. energy: 2.668
local terms energy: -639.210216
where:
bonds (distance) C4'-P energy: -124.129
bonds (distance) P-C4' energy: -137.258
flat angles C4'-P-C4' energy: -140.455
flat angles P-C4'-P energy: -93.874
tors. eta vs tors. theta energy: -143.495
Dist. restrs. and SS energy: 4.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -1901.059854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.059854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.993276 (E_RNA)
where:
Base-Base interactions energy: -1282.195
where: short stacking energy: -543.649
Base-Backbone interact. energy: 0.421
local terms energy: -621.219508
where:
bonds (distance) C4'-P energy: -121.498
bonds (distance) P-C4' energy: -110.669
flat angles C4'-P-C4' energy: -154.989
flat angles P-C4'-P energy: -92.052
tors. eta vs tors. theta energy: -142.011
Dist. restrs. and SS energy: 1.933 (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: 3
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -1841.173910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.173910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.967923 (E_RNA)
where:
Base-Base interactions energy: -1255.848
where: short stacking energy: -510.193
Base-Backbone interact. energy: -2.290
local terms energy: -588.829945
where:
bonds (distance) C4'-P energy: -117.082
bonds (distance) P-C4' energy: -132.067
flat angles C4'-P-C4' energy: -145.181
flat angles P-C4'-P energy: -70.845
tors. eta vs tors. theta energy: -123.655
Dist. restrs. and SS energy: 5.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -2794.676687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.676687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.655316 (E_RNA)
where:
Base-Base interactions energy: -1920.184
where: short stacking energy: -820.750
Base-Backbone interact. energy: -5.129
local terms energy: -872.341734
where:
bonds (distance) C4'-P energy: -157.462
bonds (distance) P-C4' energy: -165.057
flat angles C4'-P-C4' energy: -188.784
flat angles P-C4'-P energy: -114.388
tors. eta vs tors. theta energy: -246.651
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: 7
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -2691.390383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.390383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.553403 (E_RNA)
where:
Base-Base interactions energy: -1889.003
where: short stacking energy: -779.325
Base-Backbone interact. energy: 5.765
local terms energy: -810.314886
where:
bonds (distance) C4'-P energy: -140.809
bonds (distance) P-C4' energy: -158.841
flat angles C4'-P-C4' energy: -178.528
flat angles P-C4'-P energy: -112.100
tors. eta vs tors. theta energy: -220.037
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: 3, replica: 4
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -2615.687772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.687772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.283819 (E_RNA)
where:
Base-Base interactions energy: -1772.725
where: short stacking energy: -740.362
Base-Backbone interact. energy: -4.139
local terms energy: -840.420540
where:
bonds (distance) C4'-P energy: -156.719
bonds (distance) P-C4' energy: -164.688
flat angles C4'-P-C4' energy: -177.243
flat angles P-C4'-P energy: -121.490
tors. eta vs tors. theta energy: -220.280
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: 4, replica: 6
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -2348.725167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.725167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.307416 (E_RNA)
where:
Base-Base interactions energy: -1574.951
where: short stacking energy: -695.252
Base-Backbone interact. energy: -0.895
local terms energy: -774.461982
where:
bonds (distance) C4'-P energy: -168.528
bonds (distance) P-C4' energy: -139.223
flat angles C4'-P-C4' energy: -173.782
flat angles P-C4'-P energy: -97.207
tors. eta vs tors. theta energy: -195.721
Dist. restrs. and SS energy: 1.582 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -2356.185536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.185536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.455299 (E_RNA)
where:
Base-Base interactions energy: -1635.759
where: short stacking energy: -711.327
Base-Backbone interact. energy: 2.824
local terms energy: -724.520328
where:
bonds (distance) C4'-P energy: -116.330
bonds (distance) P-C4' energy: -146.580
flat angles C4'-P-C4' energy: -167.263
flat angles P-C4'-P energy: -94.403
tors. eta vs tors. theta energy: -199.945
Dist. restrs. and SS energy: 1.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -2181.759318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.759318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.352495 (E_RNA)
where:
Base-Base interactions energy: -1438.974
where: short stacking energy: -635.522
Base-Backbone interact. energy: -5.163
local terms energy: -740.214901
where:
bonds (distance) C4'-P energy: -137.830
bonds (distance) P-C4' energy: -150.763
flat angles C4'-P-C4' energy: -171.564
flat angles P-C4'-P energy: -97.452
tors. eta vs tors. theta energy: -182.606
Dist. restrs. and SS energy: 2.593 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -2149.711726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.711726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.229096 (E_RNA)
where:
Base-Base interactions energy: -1463.485
where: short stacking energy: -638.790
Base-Backbone interact. energy: -1.365
local terms energy: -687.379204
where:
bonds (distance) C4'-P energy: -123.931
bonds (distance) P-C4' energy: -135.075
flat angles C4'-P-C4' energy: -157.431
flat angles P-C4'-P energy: -94.858
tors. eta vs tors. theta energy: -176.085
Dist. restrs. and SS energy: 2.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -2019.139821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.139821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.643065 (E_RNA)
where:
Base-Base interactions energy: -1373.890
where: short stacking energy: -603.332
Base-Backbone interact. energy: -0.607
local terms energy: -648.146440
where:
bonds (distance) C4'-P energy: -129.277
bonds (distance) P-C4' energy: -109.669
flat angles C4'-P-C4' energy: -149.611
flat angles P-C4'-P energy: -96.113
tors. eta vs tors. theta energy: -163.476
Dist. restrs. and SS energy: 3.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -1929.002073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.002073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.437999 (E_RNA)
where:
Base-Base interactions energy: -1308.850
where: short stacking energy: -552.605
Base-Backbone interact. energy: -0.381
local terms energy: -622.206887
where:
bonds (distance) C4'-P energy: -122.849
bonds (distance) P-C4' energy: -133.918
flat angles C4'-P-C4' energy: -143.254
flat angles P-C4'-P energy: -80.864
tors. eta vs tors. theta energy: -141.322
Dist. restrs. and SS energy: 2.436 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -1805.581435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.581435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.054446 (E_RNA)
where:
Base-Base interactions energy: -1236.772
where: short stacking energy: -518.019
Base-Backbone interact. energy: -3.389
local terms energy: -571.893011
where:
bonds (distance) C4'-P energy: -117.890
bonds (distance) P-C4' energy: -137.724
flat angles C4'-P-C4' energy: -131.775
flat angles P-C4'-P energy: -62.131
tors. eta vs tors. theta energy: -122.372
Dist. restrs. and SS energy: 6.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -2805.232284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.232284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.905557 (E_RNA)
where:
Base-Base interactions energy: -1942.636
where: short stacking energy: -808.824
Base-Backbone interact. energy: -4.239
local terms energy: -861.030862
where:
bonds (distance) C4'-P energy: -152.887
bonds (distance) P-C4' energy: -171.859
flat angles C4'-P-C4' energy: -179.793
flat angles P-C4'-P energy: -120.007
tors. eta vs tors. theta energy: -236.484
Dist. restrs. and SS energy: 2.673 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -2671.334443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.334443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.035693 (E_RNA)
where:
Base-Base interactions energy: -1871.182
where: short stacking energy: -779.693
Base-Backbone interact. energy: 8.257
local terms energy: -811.111131
where:
bonds (distance) C4'-P energy: -143.845
bonds (distance) P-C4' energy: -160.995
flat angles C4'-P-C4' energy: -170.824
flat angles P-C4'-P energy: -120.976
tors. eta vs tors. theta energy: -214.472
Dist. restrs. and SS energy: 2.701 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -2574.806950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.806950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.993260 (E_RNA)
where:
Base-Base interactions energy: -1757.042
where: short stacking energy: -767.444
Base-Backbone interact. energy: -1.540
local terms energy: -817.411623
where:
bonds (distance) C4'-P energy: -140.525
bonds (distance) P-C4' energy: -156.728
flat angles C4'-P-C4' energy: -181.971
flat angles P-C4'-P energy: -106.620
tors. eta vs tors. theta energy: -231.569
Dist. restrs. and SS energy: 1.186 (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: 6
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -2410.217244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.217244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.648249 (E_RNA)
where:
Base-Base interactions energy: -1626.252
where: short stacking energy: -700.848
Base-Backbone interact. energy: -3.032
local terms energy: -782.363837
where:
bonds (distance) C4'-P energy: -130.031
bonds (distance) P-C4' energy: -171.222
flat angles C4'-P-C4' energy: -171.874
flat angles P-C4'-P energy: -118.900
tors. eta vs tors. theta energy: -190.337
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: 5, replica: 1
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -2280.532648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.532648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.187652 (E_RNA)
where:
Base-Base interactions energy: -1538.089
where: short stacking energy: -635.708
Base-Backbone interact. energy: 2.400
local terms energy: -747.499298
where:
bonds (distance) C4'-P energy: -136.549
bonds (distance) P-C4' energy: -153.968
flat angles C4'-P-C4' energy: -164.455
flat angles P-C4'-P energy: -116.978
tors. eta vs tors. theta energy: -175.549
Dist. restrs. and SS energy: 2.655 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -2229.855647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.855647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.184679 (E_RNA)
where:
Base-Base interactions energy: -1502.273
where: short stacking energy: -682.152
Base-Backbone interact. energy: 1.778
local terms energy: -731.689758
where:
bonds (distance) C4'-P energy: -141.960
bonds (distance) P-C4' energy: -137.585
flat angles C4'-P-C4' energy: -152.522
flat angles P-C4'-P energy: -96.559
tors. eta vs tors. theta energy: -203.064
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: 7, replica: 5
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -2111.005538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.005538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.137463 (E_RNA)
where:
Base-Base interactions energy: -1457.968
where: short stacking energy: -629.642
Base-Backbone interact. energy: 2.540
local terms energy: -657.709671
where:
bonds (distance) C4'-P energy: -126.174
bonds (distance) P-C4' energy: -128.925
flat angles C4'-P-C4' energy: -149.114
flat angles P-C4'-P energy: -95.485
tors. eta vs tors. theta energy: -158.012
Dist. restrs. and SS energy: 2.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -2039.390442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.390442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.805547 (E_RNA)
where:
Base-Base interactions energy: -1374.289
where: short stacking energy: -564.320
Base-Backbone interact. energy: -1.572
local terms energy: -665.944539
where:
bonds (distance) C4'-P energy: -130.569
bonds (distance) P-C4' energy: -134.777
flat angles C4'-P-C4' energy: -151.189
flat angles P-C4'-P energy: -93.379
tors. eta vs tors. theta energy: -156.030
Dist. restrs. and SS energy: 2.415 (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: 10
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -1898.978737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.978737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.029956 (E_RNA)
where:
Base-Base interactions energy: -1274.547
where: short stacking energy: -534.344
Base-Backbone interact. energy: 0.146
local terms energy: -628.628847
where:
bonds (distance) C4'-P energy: -134.554
bonds (distance) P-C4' energy: -139.605
flat angles C4'-P-C4' energy: -139.688
flat angles P-C4'-P energy: -74.391
tors. eta vs tors. theta energy: -140.391
Dist. restrs. and SS energy: 4.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -1778.427614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.427614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.108981 (E_RNA)
where:
Base-Base interactions energy: -1206.790
where: short stacking energy: -504.480
Base-Backbone interact. energy: -2.450
local terms energy: -576.868235
where:
bonds (distance) C4'-P energy: -112.736
bonds (distance) P-C4' energy: -139.118
flat angles C4'-P-C4' energy: -114.288
flat angles P-C4'-P energy: -79.232
tors. eta vs tors. theta energy: -131.495
Dist. restrs. and SS energy: 7.681 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -2781.415160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.415160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.979819 (E_RNA)
where:
Base-Base interactions energy: -1905.111
where: short stacking energy: -801.540
Base-Backbone interact. energy: 4.975
local terms energy: -884.844651
where:
bonds (distance) C4'-P energy: -175.296
bonds (distance) P-C4' energy: -169.828
flat angles C4'-P-C4' energy: -192.681
flat angles P-C4'-P energy: -115.652
tors. eta vs tors. theta energy: -231.388
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: 7
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -2700.367971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.367971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.483010 (E_RNA)
where:
Base-Base interactions energy: -1867.011
where: short stacking energy: -777.148
Base-Backbone interact. energy: -2.018
local terms energy: -832.454468
where:
bonds (distance) C4'-P energy: -144.062
bonds (distance) P-C4' energy: -160.112
flat angles C4'-P-C4' energy: -184.588
flat angles P-C4'-P energy: -129.406
tors. eta vs tors. theta energy: -214.285
Dist. restrs. and SS energy: 1.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -2581.599925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.599925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.726438 (E_RNA)
where:
Base-Base interactions energy: -1782.446
where: short stacking energy: -761.642
Base-Backbone interact. energy: -1.924
local terms energy: -799.356695
where:
bonds (distance) C4'-P energy: -156.700
bonds (distance) P-C4' energy: -146.121
flat angles C4'-P-C4' energy: -174.891
flat angles P-C4'-P energy: -105.128
tors. eta vs tors. theta energy: -216.516
Dist. restrs. and SS energy: 2.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -2476.935087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.935087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.247660 (E_RNA)
where:
Base-Base interactions energy: -1696.941
where: short stacking energy: -743.434
Base-Backbone interact. energy: -2.958
local terms energy: -778.347882
where:
bonds (distance) C4'-P energy: -149.236
bonds (distance) P-C4' energy: -155.381
flat angles C4'-P-C4' energy: -157.887
flat angles P-C4'-P energy: -101.586
tors. eta vs tors. theta energy: -214.259
Dist. restrs. and SS energy: 1.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -2285.872380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.872380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.209571 (E_RNA)
where:
Base-Base interactions energy: -1544.008
where: short stacking energy: -659.464
Base-Backbone interact. energy: 4.033
local terms energy: -748.234036
where:
bonds (distance) C4'-P energy: -152.048
bonds (distance) P-C4' energy: -151.090
flat angles C4'-P-C4' energy: -170.126
flat angles P-C4'-P energy: -88.169
tors. eta vs tors. theta energy: -186.801
Dist. restrs. and SS energy: 2.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -2227.645359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.645359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.327365 (E_RNA)
where:
Base-Base interactions energy: -1498.457
where: short stacking energy: -659.841
Base-Backbone interact. energy: 0.046
local terms energy: -731.915585
where:
bonds (distance) C4'-P energy: -146.176
bonds (distance) P-C4' energy: -122.517
flat angles C4'-P-C4' energy: -160.905
flat angles P-C4'-P energy: -120.890
tors. eta vs tors. theta energy: -181.427
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: 7, replica: 5
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -2128.408598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.408598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.298132 (E_RNA)
where:
Base-Base interactions energy: -1431.576
where: short stacking energy: -603.567
Base-Backbone interact. energy: -1.344
local terms energy: -698.377617
where:
bonds (distance) C4'-P energy: -147.892
bonds (distance) P-C4' energy: -135.578
flat angles C4'-P-C4' energy: -157.011
flat angles P-C4'-P energy: -82.816
tors. eta vs tors. theta energy: -175.081
Dist. restrs. and SS energy: 2.890 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -2041.193737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.193737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.772308 (E_RNA)
where:
Base-Base interactions energy: -1379.271
where: short stacking energy: -595.630
Base-Backbone interact. energy: 0.085
local terms energy: -662.586105
where:
bonds (distance) C4'-P energy: -140.309
bonds (distance) P-C4' energy: -133.199
flat angles C4'-P-C4' energy: -161.949
flat angles P-C4'-P energy: -92.834
tors. eta vs tors. theta energy: -134.295
Dist. restrs. and SS energy: 0.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -1928.129682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.129682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.567024 (E_RNA)
where:
Base-Base interactions energy: -1301.615
where: short stacking energy: -508.540
Base-Backbone interact. energy: 2.702
local terms energy: -631.654806
where:
bonds (distance) C4'-P energy: -135.442
bonds (distance) P-C4' energy: -132.819
flat angles C4'-P-C4' energy: -141.276
flat angles P-C4'-P energy: -84.478
tors. eta vs tors. theta energy: -137.640
Dist. restrs. and SS energy: 2.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -1795.890108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.890108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.009089 (E_RNA)
where:
Base-Base interactions energy: -1250.222
where: short stacking energy: -523.776
Base-Backbone interact. energy: -0.269
local terms energy: -551.518074
where:
bonds (distance) C4'-P energy: -126.355
bonds (distance) P-C4' energy: -114.475
flat angles C4'-P-C4' energy: -128.009
flat angles P-C4'-P energy: -61.141
tors. eta vs tors. theta energy: -121.538
Dist. restrs. and SS energy: 6.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -2814.042449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.042449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2816.749342 (E_RNA)
where:
Base-Base interactions energy: -1916.367
where: short stacking energy: -802.848
Base-Backbone interact. energy: -5.113
local terms energy: -895.269191
where:
bonds (distance) C4'-P energy: -152.840
bonds (distance) P-C4' energy: -187.095
flat angles C4'-P-C4' energy: -181.953
flat angles P-C4'-P energy: -139.145
tors. eta vs tors. theta energy: -234.236
Dist. restrs. and SS energy: 2.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -2709.965021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.965021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.697443 (E_RNA)
where:
Base-Base interactions energy: -1863.943
where: short stacking energy: -786.699
Base-Backbone interact. energy: -1.934
local terms energy: -845.820203
where:
bonds (distance) C4'-P energy: -145.393
bonds (distance) P-C4' energy: -170.994
flat angles C4'-P-C4' energy: -184.066
flat angles P-C4'-P energy: -114.099
tors. eta vs tors. theta energy: -231.267
Dist. restrs. and SS energy: 1.732 (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: 4
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -2582.070047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.070047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.729304 (E_RNA)
where:
Base-Base interactions energy: -1757.703
where: short stacking energy: -769.897
Base-Backbone interact. energy: -0.657
local terms energy: -827.369468
where:
bonds (distance) C4'-P energy: -146.415
bonds (distance) P-C4' energy: -154.726
flat angles C4'-P-C4' energy: -182.618
flat angles P-C4'-P energy: -120.663
tors. eta vs tors. theta energy: -222.948
Dist. restrs. and SS energy: 3.659 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -2439.541633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.541633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.828281 (E_RNA)
where:
Base-Base interactions energy: -1682.195
where: short stacking energy: -713.828
Base-Backbone interact. energy: 2.488
local terms energy: -762.121367
where:
bonds (distance) C4'-P energy: -147.006
bonds (distance) P-C4' energy: -138.914
flat angles C4'-P-C4' energy: -169.592
flat angles P-C4'-P energy: -93.387
tors. eta vs tors. theta energy: -213.222
Dist. restrs. and SS energy: 2.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -2285.890657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.890657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.988740 (E_RNA)
where:
Base-Base interactions energy: -1556.621
where: short stacking energy: -695.618
Base-Backbone interact. energy: 4.374
local terms energy: -735.742086
where:
bonds (distance) C4'-P energy: -137.025
bonds (distance) P-C4' energy: -144.053
flat angles C4'-P-C4' energy: -170.345
flat angles P-C4'-P energy: -100.316
tors. eta vs tors. theta energy: -184.003
Dist. restrs. and SS energy: 2.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -2181.254428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.254428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.779743 (E_RNA)
where:
Base-Base interactions energy: -1473.291
where: short stacking energy: -666.439
Base-Backbone interact. energy: -0.452
local terms energy: -711.036524
where:
bonds (distance) C4'-P energy: -132.062
bonds (distance) P-C4' energy: -134.250
flat angles C4'-P-C4' energy: -158.250
flat angles P-C4'-P energy: -95.274
tors. eta vs tors. theta energy: -191.201
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: 7, replica: 5
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -2160.152967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.152967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.275804 (E_RNA)
where:
Base-Base interactions energy: -1452.056
where: short stacking energy: -617.644
Base-Backbone interact. energy: 4.066
local terms energy: -715.286274
where:
bonds (distance) C4'-P energy: -126.959
bonds (distance) P-C4' energy: -162.062
flat angles C4'-P-C4' energy: -149.472
flat angles P-C4'-P energy: -102.700
tors. eta vs tors. theta energy: -174.093
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: 8, replica: 2
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -2015.947985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.947985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.477679 (E_RNA)
where:
Base-Base interactions energy: -1355.240
where: short stacking energy: -573.997
Base-Backbone interact. energy: -3.385
local terms energy: -660.853050
where:
bonds (distance) C4'-P energy: -146.178
bonds (distance) P-C4' energy: -120.233
flat angles C4'-P-C4' energy: -146.410
flat angles P-C4'-P energy: -95.290
tors. eta vs tors. theta energy: -152.742
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: 9, replica: 10
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -1898.032624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.032624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.294537 (E_RNA)
where:
Base-Base interactions energy: -1294.680
where: short stacking energy: -551.043
Base-Backbone interact. energy: -1.117
local terms energy: -609.497281
where:
bonds (distance) C4'-P energy: -121.725
bonds (distance) P-C4' energy: -118.309
flat angles C4'-P-C4' energy: -128.738
flat angles P-C4'-P energy: -97.583
tors. eta vs tors. theta energy: -143.143
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: 10, replica: 3
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -1768.821337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.821337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.161940 (E_RNA)
where:
Base-Base interactions energy: -1204.810
where: short stacking energy: -531.193
Base-Backbone interact. energy: -2.803
local terms energy: -576.548802
where:
bonds (distance) C4'-P energy: -132.578
bonds (distance) P-C4' energy: -109.567
flat angles C4'-P-C4' energy: -118.282
flat angles P-C4'-P energy: -82.272
tors. eta vs tors. theta energy: -133.849
Dist. restrs. and SS energy: 15.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -2819.644862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2819.644862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.567466 (E_RNA)
where:
Base-Base interactions energy: -1952.040
where: short stacking energy: -795.154
Base-Backbone interact. energy: 1.536
local terms energy: -871.063490
where:
bonds (distance) C4'-P energy: -148.461
bonds (distance) P-C4' energy: -168.018
flat angles C4'-P-C4' energy: -188.284
flat angles P-C4'-P energy: -128.577
tors. eta vs tors. theta energy: -237.723
Dist. restrs. and SS energy: 1.923 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -2711.337443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.337443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.822057 (E_RNA)
where:
Base-Base interactions energy: -1890.341
where: short stacking energy: -783.783
Base-Backbone interact. energy: 4.027
local terms energy: -826.508714
where:
bonds (distance) C4'-P energy: -145.038
bonds (distance) P-C4' energy: -167.479
flat angles C4'-P-C4' energy: -167.671
flat angles P-C4'-P energy: -116.831
tors. eta vs tors. theta energy: -229.489
Dist. restrs. and SS energy: 1.485 (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: 4
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -2582.151269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.151269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.095374 (E_RNA)
where:
Base-Base interactions energy: -1773.554
where: short stacking energy: -740.382
Base-Backbone interact. energy: -4.414
local terms energy: -807.126893
where:
bonds (distance) C4'-P energy: -155.649
bonds (distance) P-C4' energy: -154.791
flat angles C4'-P-C4' energy: -173.560
flat angles P-C4'-P energy: -121.982
tors. eta vs tors. theta energy: -201.144
Dist. restrs. and SS energy: 2.944 (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: 6
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -2470.822190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.822190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.313968 (E_RNA)
where:
Base-Base interactions energy: -1696.132
where: short stacking energy: -752.783
Base-Backbone interact. energy: -2.777
local terms energy: -773.405220
where:
bonds (distance) C4'-P energy: -139.563
bonds (distance) P-C4' energy: -144.352
flat angles C4'-P-C4' energy: -157.480
flat angles P-C4'-P energy: -124.404
tors. eta vs tors. theta energy: -207.606
Dist. restrs. and SS energy: 1.492 (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: 1
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -2287.340144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.340144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.495717 (E_RNA)
where:
Base-Base interactions energy: -1526.927
where: short stacking energy: -664.362
Base-Backbone interact. energy: 1.824
local terms energy: -763.392755
where:
bonds (distance) C4'-P energy: -135.948
bonds (distance) P-C4' energy: -166.154
flat angles C4'-P-C4' energy: -164.970
flat angles P-C4'-P energy: -113.156
tors. eta vs tors. theta energy: -183.165
Dist. restrs. and SS energy: 1.156 (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: 8
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -2189.288561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.288561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.274297 (E_RNA)
where:
Base-Base interactions energy: -1448.526
where: short stacking energy: -658.105
Base-Backbone interact. energy: -0.348
local terms energy: -744.400068
where:
bonds (distance) C4'-P energy: -125.977
bonds (distance) P-C4' energy: -158.119
flat angles C4'-P-C4' energy: -164.209
flat angles P-C4'-P energy: -107.646
tors. eta vs tors. theta energy: -188.450
Dist. restrs. and SS energy: 3.986 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -2135.865441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.865441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.408605 (E_RNA)
where:
Base-Base interactions energy: -1441.444
where: short stacking energy: -604.465
Base-Backbone interact. energy: 2.792
local terms energy: -699.756446
where:
bonds (distance) C4'-P energy: -130.939
bonds (distance) P-C4' energy: -148.396
flat angles C4'-P-C4' energy: -157.087
flat angles P-C4'-P energy: -102.440
tors. eta vs tors. theta energy: -160.894
Dist. restrs. and SS energy: 2.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -2031.654791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.654791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.641931 (E_RNA)
where:
Base-Base interactions energy: -1367.922
where: short stacking energy: -577.863
Base-Backbone interact. energy: -2.731
local terms energy: -663.988789
where:
bonds (distance) C4'-P energy: -149.256
bonds (distance) P-C4' energy: -113.161
flat angles C4'-P-C4' energy: -140.652
flat angles P-C4'-P energy: -94.824
tors. eta vs tors. theta energy: -166.096
Dist. restrs. and SS energy: 2.987 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -1926.826688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.826688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.800240 (E_RNA)
where:
Base-Base interactions energy: -1338.369
where: short stacking energy: -568.488
Base-Backbone interact. energy: 6.899
local terms energy: -598.330855
where:
bonds (distance) C4'-P energy: -106.330
bonds (distance) P-C4' energy: -125.574
flat angles C4'-P-C4' energy: -138.693
flat angles P-C4'-P energy: -87.035
tors. eta vs tors. theta energy: -140.700
Dist. restrs. and SS energy: 2.974 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -1845.375722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.375722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.011127 (E_RNA)
where:
Base-Base interactions energy: -1239.876
where: short stacking energy: -521.484
Base-Backbone interact. energy: 2.033
local terms energy: -611.168092
where:
bonds (distance) C4'-P energy: -135.186
bonds (distance) P-C4' energy: -140.229
flat angles C4'-P-C4' energy: -125.640
flat angles P-C4'-P energy: -72.724
tors. eta vs tors. theta energy: -137.391
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: 1, replica: 9
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -2822.822924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.822924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.714892 (E_RNA)
where:
Base-Base interactions energy: -1963.110
where: short stacking energy: -806.702
Base-Backbone interact. energy: -4.730
local terms energy: -857.874389
where:
bonds (distance) C4'-P energy: -159.021
bonds (distance) P-C4' energy: -165.519
flat angles C4'-P-C4' energy: -173.060
flat angles P-C4'-P energy: -122.164
tors. eta vs tors. theta energy: -238.110
Dist. restrs. and SS energy: 2.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -2700.500871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.500871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.445888 (E_RNA)
where:
Base-Base interactions energy: -1867.910
where: short stacking energy: -784.683
Base-Backbone interact. energy: -2.606
local terms energy: -831.930377
where:
bonds (distance) C4'-P energy: -144.313
bonds (distance) P-C4' energy: -158.892
flat angles C4'-P-C4' energy: -182.818
flat angles P-C4'-P energy: -116.389
tors. eta vs tors. theta energy: -229.518
Dist. restrs. and SS energy: 1.945 (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: 4
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -2600.861105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.861105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.131485 (E_RNA)
where:
Base-Base interactions energy: -1782.821
where: short stacking energy: -770.480
Base-Backbone interact. energy: -0.299
local terms energy: -820.011189
where:
bonds (distance) C4'-P energy: -142.648
bonds (distance) P-C4' energy: -154.799
flat angles C4'-P-C4' energy: -186.575
flat angles P-C4'-P energy: -119.103
tors. eta vs tors. theta energy: -216.887
Dist. restrs. and SS energy: 2.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -2494.904330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.904330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.963706 (E_RNA)
where:
Base-Base interactions energy: -1675.696
where: short stacking energy: -713.221
Base-Backbone interact. energy: -4.721
local terms energy: -816.546821
where:
bonds (distance) C4'-P energy: -154.150
bonds (distance) P-C4' energy: -168.856
flat angles C4'-P-C4' energy: -185.318
flat angles P-C4'-P energy: -96.886
tors. eta vs tors. theta energy: -211.338
Dist. restrs. and SS energy: 2.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -2241.974219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.974219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.375205 (E_RNA)
where:
Base-Base interactions energy: -1526.771
where: short stacking energy: -656.362
Base-Backbone interact. energy: 1.096
local terms energy: -717.700319
where:
bonds (distance) C4'-P energy: -129.771
bonds (distance) P-C4' energy: -138.414
flat angles C4'-P-C4' energy: -165.571
flat angles P-C4'-P energy: -108.372
tors. eta vs tors. theta energy: -175.573
Dist. restrs. and SS energy: 1.401 (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: 59
Temperature: 1.150000
Total energy: -2181.844286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.844286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.366062 (E_RNA)
where:
Base-Base interactions energy: -1467.526
where: short stacking energy: -647.007
Base-Backbone interact. energy: 3.553
local terms energy: -721.392930
where:
bonds (distance) C4'-P energy: -147.405
bonds (distance) P-C4' energy: -145.390
flat angles C4'-P-C4' energy: -163.612
flat angles P-C4'-P energy: -90.090
tors. eta vs tors. theta energy: -174.896
Dist. restrs. and SS energy: 3.522 (S_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: 59
Temperature: 1.200000
Total energy: -2090.924001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.924001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.736161 (E_RNA)
where:
Base-Base interactions energy: -1408.680
where: short stacking energy: -608.702
Base-Backbone interact. energy: 4.505
local terms energy: -689.561449
where:
bonds (distance) C4'-P energy: -135.687
bonds (distance) P-C4' energy: -129.032
flat angles C4'-P-C4' energy: -157.958
flat angles P-C4'-P energy: -96.259
tors. eta vs tors. theta energy: -170.625
Dist. restrs. and SS energy: 2.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -2074.421282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.421282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.036958 (E_RNA)
where:
Base-Base interactions energy: -1411.995
where: short stacking energy: -608.887
Base-Backbone interact. energy: 0.787
local terms energy: -665.829061
where:
bonds (distance) C4'-P energy: -130.078
bonds (distance) P-C4' energy: -147.403
flat angles C4'-P-C4' energy: -139.291
flat angles P-C4'-P energy: -85.517
tors. eta vs tors. theta energy: -163.541
Dist. restrs. and SS energy: 2.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -1901.380742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.380742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.769833 (E_RNA)
where:
Base-Base interactions energy: -1257.545
where: short stacking energy: -562.304
Base-Backbone interact. energy: -2.434
local terms energy: -645.791116
where:
bonds (distance) C4'-P energy: -124.654
bonds (distance) P-C4' energy: -137.136
flat angles C4'-P-C4' energy: -156.819
flat angles P-C4'-P energy: -86.503
tors. eta vs tors. theta energy: -140.680
Dist. restrs. and SS energy: 4.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -1775.762166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.762166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.964601 (E_RNA)
where:
Base-Base interactions energy: -1230.434
where: short stacking energy: -507.770
Base-Backbone interact. energy: 3.033
local terms energy: -552.563921
where:
bonds (distance) C4'-P energy: -124.227
bonds (distance) P-C4' energy: -106.254
flat angles C4'-P-C4' energy: -129.181
flat angles P-C4'-P energy: -76.557
tors. eta vs tors. theta energy: -116.345
Dist. restrs. and SS energy: 4.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -2835.679596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2835.679596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2837.925333 (E_RNA)
where:
Base-Base interactions energy: -1958.634
where: short stacking energy: -792.956
Base-Backbone interact. energy: -3.834
local terms energy: -875.456987
where:
bonds (distance) C4'-P energy: -167.953
bonds (distance) P-C4' energy: -163.388
flat angles C4'-P-C4' energy: -188.515
flat angles P-C4'-P energy: -122.669
tors. eta vs tors. theta energy: -232.933
Dist. restrs. and SS energy: 2.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -2703.143356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.143356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.224397 (E_RNA)
where:
Base-Base interactions energy: -1854.746
where: short stacking energy: -781.673
Base-Backbone interact. energy: 2.048
local terms energy: -851.527166
where:
bonds (distance) C4'-P energy: -155.786
bonds (distance) P-C4' energy: -164.414
flat angles C4'-P-C4' energy: -180.718
flat angles P-C4'-P energy: -122.528
tors. eta vs tors. theta energy: -228.080
Dist. restrs. and SS energy: 1.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -2568.903781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.903781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.395238 (E_RNA)
where:
Base-Base interactions energy: -1762.017
where: short stacking energy: -740.651
Base-Backbone interact. energy: -4.140
local terms energy: -806.238260
where:
bonds (distance) C4'-P energy: -165.799
bonds (distance) P-C4' energy: -138.795
flat angles C4'-P-C4' energy: -184.441
flat angles P-C4'-P energy: -111.210
tors. eta vs tors. theta energy: -205.992
Dist. restrs. and SS energy: 3.491 (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: 6
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -2432.721591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.721591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.130019 (E_RNA)
where:
Base-Base interactions energy: -1613.212
where: short stacking energy: -726.998
Base-Backbone interact. energy: -0.925
local terms energy: -820.993224
where:
bonds (distance) C4'-P energy: -139.133
bonds (distance) P-C4' energy: -159.750
flat angles C4'-P-C4' energy: -178.491
flat angles P-C4'-P energy: -130.623
tors. eta vs tors. theta energy: -212.995
Dist. restrs. and SS energy: 2.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -2262.876149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.876149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.629883 (E_RNA)
where:
Base-Base interactions energy: -1544.155
where: short stacking energy: -661.337
Base-Backbone interact. energy: -2.636
local terms energy: -716.838738
where:
bonds (distance) C4'-P energy: -139.665
bonds (distance) P-C4' energy: -142.578
flat angles C4'-P-C4' energy: -165.123
flat angles P-C4'-P energy: -100.017
tors. eta vs tors. theta energy: -169.456
Dist. restrs. and SS energy: 0.754 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -2217.955429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.955429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.474543 (E_RNA)
where:
Base-Base interactions energy: -1496.668
where: short stacking energy: -636.167
Base-Backbone interact. energy: -1.617
local terms energy: -721.189619
where:
bonds (distance) C4'-P energy: -147.415
bonds (distance) P-C4' energy: -149.299
flat angles C4'-P-C4' energy: -157.796
flat angles P-C4'-P energy: -97.821
tors. eta vs tors. theta energy: -168.860
Dist. restrs. and SS energy: 1.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -2114.894715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.894715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.355578 (E_RNA)
where:
Base-Base interactions energy: -1409.897
where: short stacking energy: -612.152
Base-Backbone interact. energy: -2.718
local terms energy: -705.740635
where:
bonds (distance) C4'-P energy: -145.574
bonds (distance) P-C4' energy: -133.288
flat angles C4'-P-C4' energy: -151.683
flat angles P-C4'-P energy: -105.087
tors. eta vs tors. theta energy: -170.109
Dist. restrs. and SS energy: 3.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -2035.232722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.232722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.989411 (E_RNA)
where:
Base-Base interactions energy: -1362.949
where: short stacking energy: -562.151
Base-Backbone interact. energy: 2.275
local terms energy: -677.315505
where:
bonds (distance) C4'-P energy: -140.595
bonds (distance) P-C4' energy: -137.923
flat angles C4'-P-C4' energy: -139.707
flat angles P-C4'-P energy: -105.037
tors. eta vs tors. theta energy: -154.053
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: 9, replica: 3
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -1863.733492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.733492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.331853 (E_RNA)
where:
Base-Base interactions energy: -1235.792
where: short stacking energy: -519.824
Base-Backbone interact. energy: -0.264
local terms energy: -631.275485
where:
bonds (distance) C4'-P energy: -116.722
bonds (distance) P-C4' energy: -140.952
flat angles C4'-P-C4' energy: -146.179
flat angles P-C4'-P energy: -89.759
tors. eta vs tors. theta energy: -137.663
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: 10, replica: 10
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -1822.195689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.195689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.559833 (E_RNA)
where:
Base-Base interactions energy: -1225.803
where: short stacking energy: -510.021
Base-Backbone interact. energy: 1.311
local terms energy: -603.067679
where:
bonds (distance) C4'-P energy: -123.718
bonds (distance) P-C4' energy: -142.443
flat angles C4'-P-C4' energy: -126.134
flat angles P-C4'-P energy: -81.370
tors. eta vs tors. theta energy: -129.403
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: 1, replica: 9
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -2884.482725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2884.482725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2886.698307 (E_RNA)
where:
Base-Base interactions energy: -2000.125
where: short stacking energy: -845.590
Base-Backbone interact. energy: 0.920
local terms energy: -887.493443
where:
bonds (distance) C4'-P energy: -163.644
bonds (distance) P-C4' energy: -160.680
flat angles C4'-P-C4' energy: -181.159
flat angles P-C4'-P energy: -129.199
tors. eta vs tors. theta energy: -252.811
Dist. restrs. and SS energy: 2.216 (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: 7
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -2685.292700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.292700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.951109 (E_RNA)
where:
Base-Base interactions energy: -1854.327
where: short stacking energy: -801.520
Base-Backbone interact. energy: -3.184
local terms energy: -829.439698
where:
bonds (distance) C4'-P energy: -142.314
bonds (distance) P-C4' energy: -149.055
flat angles C4'-P-C4' energy: -188.342
flat angles P-C4'-P energy: -119.323
tors. eta vs tors. theta energy: -230.406
Dist. restrs. and SS energy: 1.658 (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: 4
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -2538.594508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.594508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.528533 (E_RNA)
where:
Base-Base interactions energy: -1756.950
where: short stacking energy: -735.043
Base-Backbone interact. energy: -1.628
local terms energy: -783.950792
where:
bonds (distance) C4'-P energy: -141.795
bonds (distance) P-C4' energy: -148.361
flat angles C4'-P-C4' energy: -178.446
flat angles P-C4'-P energy: -119.391
tors. eta vs tors. theta energy: -195.958
Dist. restrs. and SS energy: 3.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -2486.744668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.744668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.559306 (E_RNA)
where:
Base-Base interactions energy: -1698.176
where: short stacking energy: -741.768
Base-Backbone interact. energy: 5.264
local terms energy: -795.646927
where:
bonds (distance) C4'-P energy: -149.198
bonds (distance) P-C4' energy: -151.811
flat angles C4'-P-C4' energy: -174.548
flat angles P-C4'-P energy: -105.246
tors. eta vs tors. theta energy: -214.843
Dist. restrs. and SS energy: 1.815 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -2238.288523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.288523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.359163 (E_RNA)
where:
Base-Base interactions energy: -1509.363
where: short stacking energy: -666.709
Base-Backbone interact. energy: -3.348
local terms energy: -727.647732
where:
bonds (distance) C4'-P energy: -139.576
bonds (distance) P-C4' energy: -152.521
flat angles C4'-P-C4' energy: -156.447
flat angles P-C4'-P energy: -101.954
tors. eta vs tors. theta energy: -177.150
Dist. restrs. and SS energy: 2.071 (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: 61
Temperature: 1.150000
Total energy: -2232.657895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.657895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.050785 (E_RNA)
where:
Base-Base interactions energy: -1524.918
where: short stacking energy: -663.001
Base-Backbone interact. energy: 2.191
local terms energy: -711.323381
where:
bonds (distance) C4'-P energy: -149.256
bonds (distance) P-C4' energy: -133.291
flat angles C4'-P-C4' energy: -139.587
flat angles P-C4'-P energy: -106.331
tors. eta vs tors. theta energy: -182.858
Dist. restrs. and SS energy: 1.393 (S_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: 61
Temperature: 1.200000
Total energy: -2127.529198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.529198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.811770 (E_RNA)
where:
Base-Base interactions energy: -1437.009
where: short stacking energy: -613.663
Base-Backbone interact. energy: 1.328
local terms energy: -695.130859
where:
bonds (distance) C4'-P energy: -124.980
bonds (distance) P-C4' energy: -133.654
flat angles C4'-P-C4' energy: -141.498
flat angles P-C4'-P energy: -114.243
tors. eta vs tors. theta energy: -180.756
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: 8, replica: 2
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -2097.188830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.188830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.950827 (E_RNA)
where:
Base-Base interactions energy: -1423.953
where: short stacking energy: -614.199
Base-Backbone interact. energy: -3.978
local terms energy: -674.019572
where:
bonds (distance) C4'-P energy: -136.960
bonds (distance) P-C4' energy: -146.159
flat angles C4'-P-C4' energy: -137.933
flat angles P-C4'-P energy: -94.499
tors. eta vs tors. theta energy: -158.469
Dist. restrs. and SS energy: 4.762 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -1916.301134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.301134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.272329 (E_RNA)
where:
Base-Base interactions energy: -1309.613
where: short stacking energy: -571.636
Base-Backbone interact. energy: 2.524
local terms energy: -613.183228
where:
bonds (distance) C4'-P energy: -118.570
bonds (distance) P-C4' energy: -120.557
flat angles C4'-P-C4' energy: -127.171
flat angles P-C4'-P energy: -95.913
tors. eta vs tors. theta energy: -150.971
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: 10, replica: 10
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -1831.177272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.177272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.380975 (E_RNA)
where:
Base-Base interactions energy: -1256.228
where: short stacking energy: -527.279
Base-Backbone interact. energy: 1.485
local terms energy: -579.637970
where:
bonds (distance) C4'-P energy: -100.756
bonds (distance) P-C4' energy: -123.147
flat angles C4'-P-C4' energy: -140.365
flat angles P-C4'-P energy: -73.744
tors. eta vs tors. theta energy: -141.626
Dist. restrs. and SS energy: 3.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -2869.695828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2869.695828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2871.870832 (E_RNA)
where:
Base-Base interactions energy: -1989.528
where: short stacking energy: -838.328
Base-Backbone interact. energy: 3.800
local terms energy: -886.142149
where:
bonds (distance) C4'-P energy: -160.836
bonds (distance) P-C4' energy: -168.477
flat angles C4'-P-C4' energy: -193.006
flat angles P-C4'-P energy: -116.665
tors. eta vs tors. theta energy: -247.159
Dist. restrs. and SS energy: 2.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -2694.075063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.075063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.905612 (E_RNA)
where:
Base-Base interactions energy: -1856.712
where: short stacking energy: -818.301
Base-Backbone interact. energy: 0.765
local terms energy: -839.958931
where:
bonds (distance) C4'-P energy: -151.321
bonds (distance) P-C4' energy: -157.025
flat angles C4'-P-C4' energy: -177.538
flat angles P-C4'-P energy: -123.416
tors. eta vs tors. theta energy: -230.659
Dist. restrs. and SS energy: 1.831 (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: 4
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -2579.776831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.776831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.372374 (E_RNA)
where:
Base-Base interactions energy: -1772.280
where: short stacking energy: -753.186
Base-Backbone interact. energy: 2.108
local terms energy: -812.199662
where:
bonds (distance) C4'-P energy: -143.116
bonds (distance) P-C4' energy: -158.882
flat angles C4'-P-C4' energy: -180.527
flat angles P-C4'-P energy: -112.130
tors. eta vs tors. theta energy: -217.544
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: 4, replica: 6
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -2384.271608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.271608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.154745 (E_RNA)
where:
Base-Base interactions energy: -1565.791
where: short stacking energy: -696.489
Base-Backbone interact. energy: -0.715
local terms energy: -820.648625
where:
bonds (distance) C4'-P energy: -155.615
bonds (distance) P-C4' energy: -159.739
flat angles C4'-P-C4' energy: -167.434
flat angles P-C4'-P energy: -119.110
tors. eta vs tors. theta energy: -218.751
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: 5, replica: 5
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -2246.167396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.167396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.414979 (E_RNA)
where:
Base-Base interactions energy: -1515.288
where: short stacking energy: -659.786
Base-Backbone interact. energy: -0.207
local terms energy: -733.919586
where:
bonds (distance) C4'-P energy: -134.250
bonds (distance) P-C4' energy: -157.349
flat angles C4'-P-C4' energy: -163.222
flat angles P-C4'-P energy: -103.899
tors. eta vs tors. theta energy: -175.200
Dist. restrs. and SS energy: 3.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -2202.568090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.568090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.255035 (E_RNA)
where:
Base-Base interactions energy: -1524.622
where: short stacking energy: -646.841
Base-Backbone interact. energy: 3.657
local terms energy: -684.289948
where:
bonds (distance) C4'-P energy: -119.649
bonds (distance) P-C4' energy: -155.354
flat angles C4'-P-C4' energy: -156.386
flat angles P-C4'-P energy: -85.612
tors. eta vs tors. theta energy: -167.288
Dist. restrs. and SS energy: 2.687 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -2125.511916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.511916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.378176 (E_RNA)
where:
Base-Base interactions energy: -1437.135
where: short stacking energy: -609.278
Base-Backbone interact. energy: -0.423
local terms energy: -691.819826
where:
bonds (distance) C4'-P energy: -139.540
bonds (distance) P-C4' energy: -135.113
flat angles C4'-P-C4' energy: -152.457
flat angles P-C4'-P energy: -98.172
tors. eta vs tors. theta energy: -166.537
Dist. restrs. and SS energy: 3.866 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -2020.402378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.402378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.074708 (E_RNA)
where:
Base-Base interactions energy: -1342.818
where: short stacking energy: -571.702
Base-Backbone interact. energy: -0.062
local terms energy: -680.194440
where:
bonds (distance) C4'-P energy: -143.185
bonds (distance) P-C4' energy: -136.567
flat angles C4'-P-C4' energy: -145.118
flat angles P-C4'-P energy: -100.705
tors. eta vs tors. theta energy: -154.619
Dist. restrs. and SS energy: 2.672 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -1919.861562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.861562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.882159 (E_RNA)
where:
Base-Base interactions energy: -1266.990
where: short stacking energy: -526.794
Base-Backbone interact. energy: -0.512
local terms energy: -654.380004
where:
bonds (distance) C4'-P energy: -109.870
bonds (distance) P-C4' energy: -158.514
flat angles C4'-P-C4' energy: -153.632
flat angles P-C4'-P energy: -98.977
tors. eta vs tors. theta energy: -133.388
Dist. restrs. and SS energy: 2.021 (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: 10
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -1872.125267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.125267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.873821 (E_RNA)
where:
Base-Base interactions energy: -1263.796
where: short stacking energy: -543.090
Base-Backbone interact. energy: 1.735
local terms energy: -612.813253
where:
bonds (distance) C4'-P energy: -122.667
bonds (distance) P-C4' energy: -127.356
flat angles C4'-P-C4' energy: -140.494
flat angles P-C4'-P energy: -84.011
tors. eta vs tors. theta energy: -138.286
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: 1, replica: 9
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -2846.653258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2846.653258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2848.979827 (E_RNA)
where:
Base-Base interactions energy: -1994.746
where: short stacking energy: -827.142
Base-Backbone interact. energy: 0.864
local terms energy: -855.098069
where:
bonds (distance) C4'-P energy: -156.473
bonds (distance) P-C4' energy: -166.925
flat angles C4'-P-C4' energy: -180.509
flat angles P-C4'-P energy: -113.876
tors. eta vs tors. theta energy: -237.315
Dist. restrs. and SS energy: 2.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -2697.561197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.561197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.730425 (E_RNA)
where:
Base-Base interactions energy: -1837.386
where: short stacking energy: -788.555
Base-Backbone interact. energy: 0.523
local terms energy: -861.867188
where:
bonds (distance) C4'-P energy: -167.162
bonds (distance) P-C4' energy: -158.820
flat angles C4'-P-C4' energy: -182.702
flat angles P-C4'-P energy: -120.011
tors. eta vs tors. theta energy: -233.173
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: 4
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -2580.310850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.310850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.630452 (E_RNA)
where:
Base-Base interactions energy: -1753.112
where: short stacking energy: -774.437
Base-Backbone interact. energy: -3.087
local terms energy: -825.431283
where:
bonds (distance) C4'-P energy: -159.543
bonds (distance) P-C4' energy: -152.618
flat angles C4'-P-C4' energy: -185.121
flat angles P-C4'-P energy: -102.566
tors. eta vs tors. theta energy: -225.583
Dist. restrs. and SS energy: 1.320 (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: 6
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -2427.973045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.973045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.482141 (E_RNA)
where:
Base-Base interactions energy: -1600.855
where: short stacking energy: -725.239
Base-Backbone interact. energy: -0.541
local terms energy: -828.086716
where:
bonds (distance) C4'-P energy: -153.033
bonds (distance) P-C4' energy: -169.471
flat angles C4'-P-C4' energy: -174.303
flat angles P-C4'-P energy: -115.843
tors. eta vs tors. theta energy: -215.435
Dist. restrs. and SS energy: 1.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -2285.199503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.199503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.726163 (E_RNA)
where:
Base-Base interactions energy: -1545.099
where: short stacking energy: -679.309
Base-Backbone interact. energy: 5.046
local terms energy: -746.672543
where:
bonds (distance) C4'-P energy: -140.911
bonds (distance) P-C4' energy: -158.088
flat angles C4'-P-C4' energy: -159.647
flat angles P-C4'-P energy: -87.457
tors. eta vs tors. theta energy: -200.569
Dist. restrs. and SS energy: 1.527 (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: 2
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -2222.661734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.661734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.466222 (E_RNA)
where:
Base-Base interactions energy: -1515.802
where: short stacking energy: -666.095
Base-Backbone interact. energy: 0.675
local terms energy: -708.338772
where:
bonds (distance) C4'-P energy: -127.142
bonds (distance) P-C4' energy: -142.016
flat angles C4'-P-C4' energy: -155.636
flat angles P-C4'-P energy: -100.749
tors. eta vs tors. theta energy: -182.796
Dist. restrs. and SS energy: 0.804 (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: 1
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -2149.763831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.763831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.734469 (E_RNA)
where:
Base-Base interactions energy: -1462.993
where: short stacking energy: -640.728
Base-Backbone interact. energy: 4.739
local terms energy: -696.480262
where:
bonds (distance) C4'-P energy: -124.604
bonds (distance) P-C4' energy: -132.269
flat angles C4'-P-C4' energy: -154.846
flat angles P-C4'-P energy: -110.641
tors. eta vs tors. theta energy: -174.120
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: 8, replica: 8
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -2017.378847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.378847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.251797 (E_RNA)
where:
Base-Base interactions energy: -1388.013
where: short stacking energy: -586.499
Base-Backbone interact. energy: -1.504
local terms energy: -630.735186
where:
bonds (distance) C4'-P energy: -125.558
bonds (distance) P-C4' energy: -122.714
flat angles C4'-P-C4' energy: -160.717
flat angles P-C4'-P energy: -86.635
tors. eta vs tors. theta energy: -135.110
Dist. restrs. and SS energy: 2.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -1930.712786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.712786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.704960 (E_RNA)
where:
Base-Base interactions energy: -1327.845
where: short stacking energy: -573.808
Base-Backbone interact. energy: -1.289
local terms energy: -604.570856
where:
bonds (distance) C4'-P energy: -101.032
bonds (distance) P-C4' energy: -151.997
flat angles C4'-P-C4' energy: -140.770
flat angles P-C4'-P energy: -65.699
tors. eta vs tors. theta energy: -145.074
Dist. restrs. and SS energy: 2.992 (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: 10
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -1859.822393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.822393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.578336 (E_RNA)
where:
Base-Base interactions energy: -1222.300
where: short stacking energy: -507.781
Base-Backbone interact. energy: -1.820
local terms energy: -640.457532
where:
bonds (distance) C4'-P energy: -139.886
bonds (distance) P-C4' energy: -136.556
flat angles C4'-P-C4' energy: -146.306
flat angles P-C4'-P energy: -90.260
tors. eta vs tors. theta energy: -127.450
Dist. restrs. and SS energy: 4.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -2858.560663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2858.560663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2861.480140 (E_RNA)
where:
Base-Base interactions energy: -1986.336
where: short stacking energy: -837.601
Base-Backbone interact. energy: -3.520
local terms energy: -871.623384
where:
bonds (distance) C4'-P energy: -170.896
bonds (distance) P-C4' energy: -146.222
flat angles C4'-P-C4' energy: -186.617
flat angles P-C4'-P energy: -122.138
tors. eta vs tors. theta energy: -245.751
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: 2, replica: 7
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -2659.807637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.807637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.136952 (E_RNA)
where:
Base-Base interactions energy: -1837.972
where: short stacking energy: -789.774
Base-Backbone interact. energy: 2.121
local terms energy: -825.285447
where:
bonds (distance) C4'-P energy: -155.141
bonds (distance) P-C4' energy: -153.314
flat angles C4'-P-C4' energy: -175.607
flat angles P-C4'-P energy: -131.154
tors. eta vs tors. theta energy: -210.070
Dist. restrs. and SS energy: 1.329 (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: 4
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -2575.113105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.113105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.813713 (E_RNA)
where:
Base-Base interactions energy: -1731.632
where: short stacking energy: -763.316
Base-Backbone interact. energy: -3.040
local terms energy: -842.141429
where:
bonds (distance) C4'-P energy: -169.475
bonds (distance) P-C4' energy: -159.075
flat angles C4'-P-C4' energy: -179.041
flat angles P-C4'-P energy: -108.979
tors. eta vs tors. theta energy: -225.571
Dist. restrs. and SS energy: 1.701 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -2409.049586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.049586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.956577 (E_RNA)
where:
Base-Base interactions energy: -1604.599
where: short stacking energy: -744.325
Base-Backbone interact. energy: -1.951
local terms energy: -804.406152
where:
bonds (distance) C4'-P energy: -149.243
bonds (distance) P-C4' energy: -155.982
flat angles C4'-P-C4' energy: -169.063
flat angles P-C4'-P energy: -111.935
tors. eta vs tors. theta energy: -218.183
Dist. restrs. and SS energy: 1.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -2346.400230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.400230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.254132 (E_RNA)
where:
Base-Base interactions energy: -1565.680
where: short stacking energy: -682.245
Base-Backbone interact. energy: -3.551
local terms energy: -779.022570
where:
bonds (distance) C4'-P energy: -155.255
bonds (distance) P-C4' energy: -148.152
flat angles C4'-P-C4' energy: -168.412
flat angles P-C4'-P energy: -111.098
tors. eta vs tors. theta energy: -196.106
Dist. restrs. and SS energy: 1.854 (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: 5
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -2208.418609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.418609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.624864 (E_RNA)
where:
Base-Base interactions energy: -1513.123
where: short stacking energy: -648.815
Base-Backbone interact. energy: 2.194
local terms energy: -701.695739
where:
bonds (distance) C4'-P energy: -132.413
bonds (distance) P-C4' energy: -134.212
flat angles C4'-P-C4' energy: -157.772
flat angles P-C4'-P energy: -100.780
tors. eta vs tors. theta energy: -176.519
Dist. restrs. and SS energy: 4.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -2130.137248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.137248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.809997 (E_RNA)
where:
Base-Base interactions energy: -1428.524
where: short stacking energy: -625.259
Base-Backbone interact. energy: -1.791
local terms energy: -702.494954
where:
bonds (distance) C4'-P energy: -137.839
bonds (distance) P-C4' energy: -150.793
flat angles C4'-P-C4' energy: -151.782
flat angles P-C4'-P energy: -102.261
tors. eta vs tors. theta energy: -159.820
Dist. restrs. and SS energy: 2.673 (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: 8
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -1925.487048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.487048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.683049 (E_RNA)
where:
Base-Base interactions energy: -1321.558
where: short stacking energy: -537.927
Base-Backbone interact. energy: -2.643
local terms energy: -603.482093
where:
bonds (distance) C4'-P energy: -130.577
bonds (distance) P-C4' energy: -118.736
flat angles C4'-P-C4' energy: -126.851
flat angles P-C4'-P energy: -85.038
tors. eta vs tors. theta energy: -142.280
Dist. restrs. and SS energy: 2.196 (S_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: 64
Temperature: 1.300000
Total energy: -1898.988117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.988117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.770242 (E_RNA)
where:
Base-Base interactions energy: -1319.865
where: short stacking energy: -565.917
Base-Backbone interact. energy: 1.698
local terms energy: -584.602679
where:
bonds (distance) C4'-P energy: -133.499
bonds (distance) P-C4' energy: -111.945
flat angles C4'-P-C4' energy: -127.641
flat angles P-C4'-P energy: -81.561
tors. eta vs tors. theta energy: -129.956
Dist. restrs. and SS energy: 3.782 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -1882.305178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.305178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.674550 (E_RNA)
where:
Base-Base interactions energy: -1298.190
where: short stacking energy: -542.158
Base-Backbone interact. energy: -2.923
local terms energy: -583.561736
where:
bonds (distance) C4'-P energy: -111.936
bonds (distance) P-C4' energy: -131.964
flat angles C4'-P-C4' energy: -125.576
flat angles P-C4'-P energy: -70.240
tors. eta vs tors. theta energy: -143.847
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: 1, replica: 9
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -2859.351359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2859.351359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2861.807177 (E_RNA)
where:
Base-Base interactions energy: -1969.371
where: short stacking energy: -804.846
Base-Backbone interact. energy: 2.026
local terms energy: -894.462173
where:
bonds (distance) C4'-P energy: -154.601
bonds (distance) P-C4' energy: -182.346
flat angles C4'-P-C4' energy: -186.966
flat angles P-C4'-P energy: -135.694
tors. eta vs tors. theta energy: -234.856
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: 2, replica: 7
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -2668.877026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.877026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.784280 (E_RNA)
where:
Base-Base interactions energy: -1805.859
where: short stacking energy: -775.410
Base-Backbone interact. energy: -1.256
local terms energy: -862.669741
where:
bonds (distance) C4'-P energy: -177.707
bonds (distance) P-C4' energy: -167.612
flat angles C4'-P-C4' energy: -178.453
flat angles P-C4'-P energy: -119.779
tors. eta vs tors. theta energy: -219.119
Dist. restrs. and SS energy: 0.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -2608.166886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.166886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.978600 (E_RNA)
where:
Base-Base interactions energy: -1810.141
where: short stacking energy: -766.142
Base-Backbone interact. energy: -2.143
local terms energy: -798.693969
where:
bonds (distance) C4'-P energy: -139.423
bonds (distance) P-C4' energy: -159.847
flat angles C4'-P-C4' energy: -166.652
flat angles P-C4'-P energy: -114.739
tors. eta vs tors. theta energy: -218.033
Dist. restrs. and SS energy: 2.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -2411.298316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.298316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.863588 (E_RNA)
where:
Base-Base interactions energy: -1630.588
where: short stacking energy: -718.923
Base-Backbone interact. energy: -1.521
local terms energy: -780.754974
where:
bonds (distance) C4'-P energy: -147.892
bonds (distance) P-C4' energy: -156.204
flat angles C4'-P-C4' energy: -158.523
flat angles P-C4'-P energy: -106.089
tors. eta vs tors. theta energy: -212.046
Dist. restrs. and SS energy: 1.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -2340.598947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.598947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.505697 (E_RNA)
where:
Base-Base interactions energy: -1597.122
where: short stacking energy: -688.656
Base-Backbone interact. energy: -2.699
local terms energy: -743.684449
where:
bonds (distance) C4'-P energy: -137.520
bonds (distance) P-C4' energy: -137.586
flat angles C4'-P-C4' energy: -170.483
flat angles P-C4'-P energy: -101.365
tors. eta vs tors. theta energy: -196.730
Dist. restrs. and SS energy: 2.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -2195.089695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.089695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.487229 (E_RNA)
where:
Base-Base interactions energy: -1462.862
where: short stacking energy: -653.446
Base-Backbone interact. energy: -2.751
local terms energy: -731.874670
where:
bonds (distance) C4'-P energy: -152.132
bonds (distance) P-C4' energy: -146.975
flat angles C4'-P-C4' energy: -169.348
flat angles P-C4'-P energy: -90.927
tors. eta vs tors. theta energy: -172.493
Dist. restrs. and SS energy: 2.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -2089.824312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.824312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.977039 (E_RNA)
where:
Base-Base interactions energy: -1387.577
where: short stacking energy: -600.486
Base-Backbone interact. energy: -0.554
local terms energy: -705.845803
where:
bonds (distance) C4'-P energy: -138.536
bonds (distance) P-C4' energy: -152.739
flat angles C4'-P-C4' energy: -167.506
flat angles P-C4'-P energy: -92.879
tors. eta vs tors. theta energy: -154.186
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: 8, replica: 8
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -1967.007320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.007320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.817004 (E_RNA)
where:
Base-Base interactions energy: -1320.720
where: short stacking energy: -576.694
Base-Backbone interact. energy: -2.094
local terms energy: -648.003768
where:
bonds (distance) C4'-P energy: -118.901
bonds (distance) P-C4' energy: -136.224
flat angles C4'-P-C4' energy: -141.110
flat angles P-C4'-P energy: -98.570
tors. eta vs tors. theta energy: -153.199
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: 9, replica: 3
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -1984.325057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.325057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.654427 (E_RNA)
where:
Base-Base interactions energy: -1342.258
where: short stacking energy: -578.983
Base-Backbone interact. energy: -0.799
local terms energy: -644.597780
where:
bonds (distance) C4'-P energy: -119.459
bonds (distance) P-C4' energy: -139.215
flat angles C4'-P-C4' energy: -137.141
flat angles P-C4'-P energy: -89.343
tors. eta vs tors. theta energy: -159.440
Dist. restrs. and SS energy: 3.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -1786.835060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.835060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.022366 (E_RNA)
where:
Base-Base interactions energy: -1217.517
where: short stacking energy: -508.693
Base-Backbone interact. energy: 2.932
local terms energy: -579.437488
where:
bonds (distance) C4'-P energy: -122.405
bonds (distance) P-C4' energy: -121.804
flat angles C4'-P-C4' energy: -120.969
flat angles P-C4'-P energy: -84.535
tors. eta vs tors. theta energy: -129.724
Dist. restrs. and SS energy: 7.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -2922.826826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2922.826826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2924.816102 (E_RNA)
where:
Base-Base interactions energy: -2042.789
where: short stacking energy: -831.156
Base-Backbone interact. energy: -2.620
local terms energy: -879.407149
where:
bonds (distance) C4'-P energy: -163.124
bonds (distance) P-C4' energy: -175.295
flat angles C4'-P-C4' energy: -182.055
flat angles P-C4'-P energy: -117.176
tors. eta vs tors. theta energy: -241.757
Dist. restrs. and SS energy: 1.989 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -2692.688557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.688557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.594618 (E_RNA)
where:
Base-Base interactions energy: -1861.599
where: short stacking energy: -839.304
Base-Backbone interact. energy: -1.815
local terms energy: -831.180817
where:
bonds (distance) C4'-P energy: -149.465
bonds (distance) P-C4' energy: -160.505
flat angles C4'-P-C4' energy: -174.567
flat angles P-C4'-P energy: -119.814
tors. eta vs tors. theta energy: -226.830
Dist. restrs. and SS energy: 1.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -2640.740010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.740010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.510474 (E_RNA)
where:
Base-Base interactions energy: -1824.524
where: short stacking energy: -791.147
Base-Backbone interact. energy: -0.775
local terms energy: -818.211571
where:
bonds (distance) C4'-P energy: -145.884
bonds (distance) P-C4' energy: -144.453
flat angles C4'-P-C4' energy: -171.683
flat angles P-C4'-P energy: -120.296
tors. eta vs tors. theta energy: -235.896
Dist. restrs. and SS energy: 2.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -2417.467684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.467684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.367356 (E_RNA)
where:
Base-Base interactions energy: -1632.870
where: short stacking energy: -728.620
Base-Backbone interact. energy: -2.002
local terms energy: -784.495581
where:
bonds (distance) C4'-P energy: -152.915
bonds (distance) P-C4' energy: -145.026
flat angles C4'-P-C4' energy: -179.055
flat angles P-C4'-P energy: -97.352
tors. eta vs tors. theta energy: -210.147
Dist. restrs. and SS energy: 1.900 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -2297.590224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.590224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.683140 (E_RNA)
where:
Base-Base interactions energy: -1543.751
where: short stacking energy: -674.070
Base-Backbone interact. energy: -3.045
local terms energy: -752.886664
where:
bonds (distance) C4'-P energy: -145.557
bonds (distance) P-C4' energy: -154.322
flat angles C4'-P-C4' energy: -141.953
flat angles P-C4'-P energy: -111.769
tors. eta vs tors. theta energy: -199.285
Dist. restrs. and SS energy: 2.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -2230.296538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.296538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.830700 (E_RNA)
where:
Base-Base interactions energy: -1495.402
where: short stacking energy: -678.613
Base-Backbone interact. energy: 2.298
local terms energy: -738.725923
where:
bonds (distance) C4'-P energy: -133.994
bonds (distance) P-C4' energy: -142.695
flat angles C4'-P-C4' energy: -167.947
flat angles P-C4'-P energy: -105.898
tors. eta vs tors. theta energy: -188.191
Dist. restrs. and SS energy: 1.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -2104.061654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.061654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.105305 (E_RNA)
where:
Base-Base interactions energy: -1402.198
where: short stacking energy: -607.720
Base-Backbone interact. energy: -4.028
local terms energy: -700.878972
where:
bonds (distance) C4'-P energy: -139.329
bonds (distance) P-C4' energy: -141.110
flat angles C4'-P-C4' energy: -150.132
flat angles P-C4'-P energy: -107.967
tors. eta vs tors. theta energy: -162.342
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: 8, replica: 8
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -1969.954156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.954156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.352486 (E_RNA)
where:
Base-Base interactions energy: -1318.392
where: short stacking energy: -563.983
Base-Backbone interact. energy: -3.100
local terms energy: -654.860968
where:
bonds (distance) C4'-P energy: -127.151
bonds (distance) P-C4' energy: -127.926
flat angles C4'-P-C4' energy: -165.537
flat angles P-C4'-P energy: -97.794
tors. eta vs tors. theta energy: -136.454
Dist. restrs. and SS energy: 6.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -1955.374738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.374738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.679798 (E_RNA)
where:
Base-Base interactions energy: -1286.065
where: short stacking energy: -547.684
Base-Backbone interact. energy: -3.637
local terms energy: -668.977485
where:
bonds (distance) C4'-P energy: -144.221
bonds (distance) P-C4' energy: -127.446
flat angles C4'-P-C4' energy: -157.986
flat angles P-C4'-P energy: -87.390
tors. eta vs tors. theta energy: -151.935
Dist. restrs. and SS energy: 3.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -1787.213391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.213391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.163040 (E_RNA)
where:
Base-Base interactions energy: -1209.508
where: short stacking energy: -480.461
Base-Backbone interact. energy: -2.559
local terms energy: -584.096043
where:
bonds (distance) C4'-P energy: -129.043
bonds (distance) P-C4' energy: -124.613
flat angles C4'-P-C4' energy: -143.060
flat angles P-C4'-P energy: -77.856
tors. eta vs tors. theta energy: -109.523
Dist. restrs. and SS energy: 8.950 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -2930.397684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2930.397684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2932.234845 (E_RNA)
where:
Base-Base interactions energy: -2041.488
where: short stacking energy: -839.694
Base-Backbone interact. energy: -8.967
local terms energy: -881.779681
where:
bonds (distance) C4'-P energy: -181.701
bonds (distance) P-C4' energy: -162.156
flat angles C4'-P-C4' energy: -175.303
flat angles P-C4'-P energy: -125.272
tors. eta vs tors. theta energy: -237.347
Dist. restrs. and SS energy: 1.837 (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: 7
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -2704.896233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.896233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.676051 (E_RNA)
where:
Base-Base interactions energy: -1855.907
where: short stacking energy: -798.116
Base-Backbone interact. energy: -0.450
local terms energy: -850.319280
where:
bonds (distance) C4'-P energy: -158.144
bonds (distance) P-C4' energy: -158.535
flat angles C4'-P-C4' energy: -177.847
flat angles P-C4'-P energy: -130.291
tors. eta vs tors. theta energy: -225.502
Dist. restrs. and SS energy: 1.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -2632.051963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.051963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.550218 (E_RNA)
where:
Base-Base interactions energy: -1806.675
where: short stacking energy: -774.711
Base-Backbone interact. energy: 5.330
local terms energy: -832.205406
where:
bonds (distance) C4'-P energy: -142.997
bonds (distance) P-C4' energy: -159.563
flat angles C4'-P-C4' energy: -184.711
flat angles P-C4'-P energy: -117.983
tors. eta vs tors. theta energy: -226.952
Dist. restrs. and SS energy: 1.498 (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: 6
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -2412.168116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.168116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.074068 (E_RNA)
where:
Base-Base interactions energy: -1626.314
where: short stacking energy: -694.792
Base-Backbone interact. energy: -0.574
local terms energy: -787.186297
where:
bonds (distance) C4'-P energy: -159.747
bonds (distance) P-C4' energy: -142.680
flat angles C4'-P-C4' energy: -180.734
flat angles P-C4'-P energy: -108.275
tors. eta vs tors. theta energy: -195.750
Dist. restrs. and SS energy: 1.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -2296.272154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.272154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.909319 (E_RNA)
where:
Base-Base interactions energy: -1527.777
where: short stacking energy: -665.550
Base-Backbone interact. energy: -0.765
local terms energy: -769.367519
where:
bonds (distance) C4'-P energy: -146.050
bonds (distance) P-C4' energy: -159.226
flat angles C4'-P-C4' energy: -159.879
flat angles P-C4'-P energy: -117.315
tors. eta vs tors. theta energy: -186.898
Dist. restrs. and SS energy: 1.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -2189.231377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.231377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.571832 (E_RNA)
where:
Base-Base interactions energy: -1444.652
where: short stacking energy: -617.446
Base-Backbone interact. energy: -0.233
local terms energy: -747.686532
where:
bonds (distance) C4'-P energy: -151.941
bonds (distance) P-C4' energy: -137.010
flat angles C4'-P-C4' energy: -177.373
flat angles P-C4'-P energy: -113.490
tors. eta vs tors. theta energy: -167.872
Dist. restrs. and SS energy: 3.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -2111.256727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.256727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.523947 (E_RNA)
where:
Base-Base interactions energy: -1423.521
where: short stacking energy: -627.132
Base-Backbone interact. energy: 0.752
local terms energy: -690.755511
where:
bonds (distance) C4'-P energy: -124.481
bonds (distance) P-C4' energy: -125.313
flat angles C4'-P-C4' energy: -154.242
flat angles P-C4'-P energy: -109.607
tors. eta vs tors. theta energy: -177.112
Dist. restrs. and SS energy: 2.267 (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: 8
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -1920.732635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.732635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.921360 (E_RNA)
where:
Base-Base interactions energy: -1296.383
where: short stacking energy: -540.958
Base-Backbone interact. energy: 1.530
local terms energy: -629.068229
where:
bonds (distance) C4'-P energy: -120.730
bonds (distance) P-C4' energy: -129.461
flat angles C4'-P-C4' energy: -154.216
flat angles P-C4'-P energy: -97.822
tors. eta vs tors. theta energy: -126.839
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: 9, replica: 3
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -1916.474620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.474620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.185279 (E_RNA)
where:
Base-Base interactions energy: -1307.656
where: short stacking energy: -564.107
Base-Backbone interact. energy: 1.067
local terms energy: -613.595711
where:
bonds (distance) C4'-P energy: -133.588
bonds (distance) P-C4' energy: -103.809
flat angles C4'-P-C4' energy: -134.438
flat angles P-C4'-P energy: -96.865
tors. eta vs tors. theta energy: -144.896
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: 10, replica: 10
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -1854.025787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.025787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.227682 (E_RNA)
where:
Base-Base interactions energy: -1253.455
where: short stacking energy: -525.895
Base-Backbone interact. energy: 3.585
local terms energy: -612.357894
where:
bonds (distance) C4'-P energy: -122.992
bonds (distance) P-C4' energy: -123.236
flat angles C4'-P-C4' energy: -150.220
flat angles P-C4'-P energy: -73.677
tors. eta vs tors. theta energy: -142.233
Dist. restrs. and SS energy: 8.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -2903.239155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2903.239155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2905.300734 (E_RNA)
where:
Base-Base interactions energy: -2051.366
where: short stacking energy: -827.276
Base-Backbone interact. energy: -1.719
local terms energy: -852.215538
where:
bonds (distance) C4'-P energy: -162.440
bonds (distance) P-C4' energy: -156.640
flat angles C4'-P-C4' energy: -183.596
flat angles P-C4'-P energy: -119.698
tors. eta vs tors. theta energy: -229.842
Dist. restrs. and SS energy: 2.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -2639.850480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.850480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.399216 (E_RNA)
where:
Base-Base interactions energy: -1817.461
where: short stacking energy: -769.349
Base-Backbone interact. energy: 0.346
local terms energy: -824.283629
where:
bonds (distance) C4'-P energy: -161.918
bonds (distance) P-C4' energy: -154.578
flat angles C4'-P-C4' energy: -181.866
flat angles P-C4'-P energy: -110.611
tors. eta vs tors. theta energy: -215.310
Dist. restrs. and SS energy: 1.549 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -2618.632828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.632828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.229195 (E_RNA)
where:
Base-Base interactions energy: -1789.045
where: short stacking energy: -802.020
Base-Backbone interact. energy: -0.765
local terms energy: -830.418911
where:
bonds (distance) C4'-P energy: -163.048
bonds (distance) P-C4' energy: -141.795
flat angles C4'-P-C4' energy: -185.971
flat angles P-C4'-P energy: -116.182
tors. eta vs tors. theta energy: -223.423
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: 4, replica: 6
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -2467.819392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.819392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.888397 (E_RNA)
where:
Base-Base interactions energy: -1666.517
where: short stacking energy: -720.146
Base-Backbone interact. energy: -3.269
local terms energy: -800.102988
where:
bonds (distance) C4'-P energy: -150.402
bonds (distance) P-C4' energy: -166.822
flat angles C4'-P-C4' energy: -168.685
flat angles P-C4'-P energy: -100.985
tors. eta vs tors. theta energy: -213.209
Dist. restrs. and SS energy: 2.069 (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: 5
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -2237.924813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.924813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.719589 (E_RNA)
where:
Base-Base interactions energy: -1502.249
where: short stacking energy: -676.782
Base-Backbone interact. energy: 6.833
local terms energy: -744.303884
where:
bonds (distance) C4'-P energy: -143.191
bonds (distance) P-C4' energy: -139.747
flat angles C4'-P-C4' energy: -172.925
flat angles P-C4'-P energy: -97.635
tors. eta vs tors. theta energy: -190.807
Dist. restrs. and SS energy: 1.795 (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: 2
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -2202.240232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.240232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.727694 (E_RNA)
where:
Base-Base interactions energy: -1466.902
where: short stacking energy: -658.083
Base-Backbone interact. energy: -4.186
local terms energy: -735.639480
where:
bonds (distance) C4'-P energy: -139.212
bonds (distance) P-C4' energy: -151.894
flat angles C4'-P-C4' energy: -159.156
flat angles P-C4'-P energy: -96.178
tors. eta vs tors. theta energy: -189.199
Dist. restrs. and SS energy: 4.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -2082.376097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.376097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.271366 (E_RNA)
where:
Base-Base interactions energy: -1426.672
where: short stacking energy: -573.760
Base-Backbone interact. energy: 1.043
local terms energy: -658.642319
where:
bonds (distance) C4'-P energy: -136.268
bonds (distance) P-C4' energy: -139.715
flat angles C4'-P-C4' energy: -154.100
flat angles P-C4'-P energy: -86.129
tors. eta vs tors. theta energy: -142.430
Dist. restrs. and SS energy: 1.895 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -1960.839110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.839110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.652703 (E_RNA)
where:
Base-Base interactions energy: -1341.675
where: short stacking energy: -567.514
Base-Backbone interact. energy: -2.461
local terms energy: -620.516287
where:
bonds (distance) C4'-P energy: -120.402
bonds (distance) P-C4' energy: -125.264
flat angles C4'-P-C4' energy: -148.286
flat angles P-C4'-P energy: -94.195
tors. eta vs tors. theta energy: -132.369
Dist. restrs. and SS energy: 3.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -1957.965721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.965721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.870239 (E_RNA)
where:
Base-Base interactions energy: -1335.468
where: short stacking energy: -586.546
Base-Backbone interact. energy: 4.645
local terms energy: -631.047247
where:
bonds (distance) C4'-P energy: -135.804
bonds (distance) P-C4' energy: -118.103
flat angles C4'-P-C4' energy: -127.546
flat angles P-C4'-P energy: -91.136
tors. eta vs tors. theta energy: -158.459
Dist. restrs. and SS energy: 3.905 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -1892.519892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.519892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.901044 (E_RNA)
where:
Base-Base interactions energy: -1313.158
where: short stacking energy: -557.468
Base-Backbone interact. energy: -2.390
local terms energy: -581.353316
where:
bonds (distance) C4'-P energy: -139.600
bonds (distance) P-C4' energy: -118.757
flat angles C4'-P-C4' energy: -119.311
flat angles P-C4'-P energy: -66.288
tors. eta vs tors. theta energy: -137.398
Dist. restrs. and SS energy: 4.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -2901.137910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2901.137910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2902.796395 (E_RNA)
where:
Base-Base interactions energy: -2021.321
where: short stacking energy: -826.823
Base-Backbone interact. energy: -2.193
local terms energy: -879.281684
where:
bonds (distance) C4'-P energy: -155.394
bonds (distance) P-C4' energy: -169.606
flat angles C4'-P-C4' energy: -186.954
flat angles P-C4'-P energy: -128.022
tors. eta vs tors. theta energy: -239.306
Dist. restrs. and SS energy: 1.658 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -2684.488853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.488853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.126816 (E_RNA)
where:
Base-Base interactions energy: -1842.363
where: short stacking energy: -769.503
Base-Backbone interact. energy: 6.199
local terms energy: -849.963316
where:
bonds (distance) C4'-P energy: -157.701
bonds (distance) P-C4' energy: -166.386
flat angles C4'-P-C4' energy: -179.580
flat angles P-C4'-P energy: -130.189
tors. eta vs tors. theta energy: -216.108
Dist. restrs. and SS energy: 1.638 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -2615.917729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.917729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.154876 (E_RNA)
where:
Base-Base interactions energy: -1770.021
where: short stacking energy: -746.407
Base-Backbone interact. energy: -2.451
local terms energy: -844.682546
where:
bonds (distance) C4'-P energy: -148.893
bonds (distance) P-C4' energy: -169.444
flat angles C4'-P-C4' energy: -172.637
flat angles P-C4'-P energy: -131.914
tors. eta vs tors. theta energy: -221.795
Dist. restrs. and SS energy: 1.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -2440.854995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.854995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.181009 (E_RNA)
where:
Base-Base interactions energy: -1638.007
where: short stacking energy: -700.833
Base-Backbone interact. energy: -0.527
local terms energy: -803.647405
where:
bonds (distance) C4'-P energy: -147.378
bonds (distance) P-C4' energy: -157.331
flat angles C4'-P-C4' energy: -168.557
flat angles P-C4'-P energy: -130.628
tors. eta vs tors. theta energy: -199.754
Dist. restrs. and SS energy: 1.326 (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: 69
Temperature: 1.100000
Total energy: -2283.053645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.053645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.067031 (E_RNA)
where:
Base-Base interactions energy: -1544.924
where: short stacking energy: -669.698
Base-Backbone interact. energy: 1.692
local terms energy: -742.835240
where:
bonds (distance) C4'-P energy: -139.632
bonds (distance) P-C4' energy: -157.461
flat angles C4'-P-C4' energy: -167.624
flat angles P-C4'-P energy: -93.486
tors. eta vs tors. theta energy: -184.632
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: 6, replica: 2
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -2191.337968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.337968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.379579 (E_RNA)
where:
Base-Base interactions energy: -1462.687
where: short stacking energy: -667.518
Base-Backbone interact. energy: -0.312
local terms energy: -730.380388
where:
bonds (distance) C4'-P energy: -133.762
bonds (distance) P-C4' energy: -144.122
flat angles C4'-P-C4' energy: -161.320
flat angles P-C4'-P energy: -110.624
tors. eta vs tors. theta energy: -180.553
Dist. restrs. and SS energy: 2.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -2094.805610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.805610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.832828 (E_RNA)
where:
Base-Base interactions energy: -1428.354
where: short stacking energy: -621.780
Base-Backbone interact. energy: -2.459
local terms energy: -666.019251
where:
bonds (distance) C4'-P energy: -135.365
bonds (distance) P-C4' energy: -132.293
flat angles C4'-P-C4' energy: -156.566
flat angles P-C4'-P energy: -87.270
tors. eta vs tors. theta energy: -154.525
Dist. restrs. and SS energy: 2.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -2026.506373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.506373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.014476 (E_RNA)
where:
Base-Base interactions energy: -1379.667
where: short stacking energy: -607.509
Base-Backbone interact. energy: -0.315
local terms energy: -649.033239
where:
bonds (distance) C4'-P energy: -130.044
bonds (distance) P-C4' energy: -134.613
flat angles C4'-P-C4' energy: -126.128
flat angles P-C4'-P energy: -97.177
tors. eta vs tors. theta energy: -161.071
Dist. restrs. and SS energy: 2.508 (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: 8
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -1907.511381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.511381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.640615 (E_RNA)
where:
Base-Base interactions energy: -1303.171
where: short stacking energy: -566.343
Base-Backbone interact. energy: -2.328
local terms energy: -606.141625
where:
bonds (distance) C4'-P energy: -120.106
bonds (distance) P-C4' energy: -135.108
flat angles C4'-P-C4' energy: -117.720
flat angles P-C4'-P energy: -81.574
tors. eta vs tors. theta energy: -151.634
Dist. restrs. and SS energy: 4.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -1850.300942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.300942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.388194 (E_RNA)
where:
Base-Base interactions energy: -1255.169
where: short stacking energy: -522.711
Base-Backbone interact. energy: -1.926
local terms energy: -596.293655
where:
bonds (distance) C4'-P energy: -130.777
bonds (distance) P-C4' energy: -114.887
flat angles C4'-P-C4' energy: -152.404
flat angles P-C4'-P energy: -77.773
tors. eta vs tors. theta energy: -120.452
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: 1, replica: 9
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -2907.730997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2907.730997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2909.181351 (E_RNA)
where:
Base-Base interactions energy: -2005.798
where: short stacking energy: -818.956
Base-Backbone interact. energy: -0.511
local terms energy: -902.871536
where:
bonds (distance) C4'-P energy: -160.903
bonds (distance) P-C4' energy: -182.052
flat angles C4'-P-C4' energy: -188.639
flat angles P-C4'-P energy: -132.466
tors. eta vs tors. theta energy: -238.812
Dist. restrs. and SS energy: 1.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -2696.438503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.438503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.703797 (E_RNA)
where:
Base-Base interactions energy: -1852.687
where: short stacking energy: -792.849
Base-Backbone interact. energy: -2.768
local terms energy: -842.248560
where:
bonds (distance) C4'-P energy: -151.640
bonds (distance) P-C4' energy: -163.379
flat angles C4'-P-C4' energy: -172.629
flat angles P-C4'-P energy: -127.055
tors. eta vs tors. theta energy: -227.544
Dist. restrs. and SS energy: 1.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -2618.066171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.066171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.533462 (E_RNA)
where:
Base-Base interactions energy: -1787.159
where: short stacking energy: -775.242
Base-Backbone interact. energy: 0.810
local terms energy: -833.185082
where:
bonds (distance) C4'-P energy: -160.036
bonds (distance) P-C4' energy: -151.240
flat angles C4'-P-C4' energy: -182.616
flat angles P-C4'-P energy: -120.364
tors. eta vs tors. theta energy: -218.930
Dist. restrs. and SS energy: 1.467 (S_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: 70
Temperature: 1.050000
Total energy: -2461.957800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.957800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.972860 (E_RNA)
where:
Base-Base interactions energy: -1642.251
where: short stacking energy: -741.582
Base-Backbone interact. energy: 0.949
local terms energy: -822.670892
where:
bonds (distance) C4'-P energy: -139.511
bonds (distance) P-C4' energy: -155.701
flat angles C4'-P-C4' energy: -181.519
flat angles P-C4'-P energy: -119.217
tors. eta vs tors. theta energy: -226.723
Dist. restrs. and SS energy: 2.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -2256.658161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.658161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.760223 (E_RNA)
where:
Base-Base interactions energy: -1514.183
where: short stacking energy: -647.916
Base-Backbone interact. energy: 0.600
local terms energy: -745.177740
where:
bonds (distance) C4'-P energy: -130.560
bonds (distance) P-C4' energy: -158.571
flat angles C4'-P-C4' energy: -168.643
flat angles P-C4'-P energy: -103.581
tors. eta vs tors. theta energy: -183.822
Dist. restrs. and SS energy: 2.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -2158.834618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.834618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.918162 (E_RNA)
where:
Base-Base interactions energy: -1439.221
where: short stacking energy: -638.252
Base-Backbone interact. energy: 3.871
local terms energy: -725.568181
where:
bonds (distance) C4'-P energy: -131.209
bonds (distance) P-C4' energy: -140.801
flat angles C4'-P-C4' energy: -154.603
flat angles P-C4'-P energy: -112.860
tors. eta vs tors. theta energy: -186.095
Dist. restrs. and SS energy: 2.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -2103.279189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.279189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.918273 (E_RNA)
where:
Base-Base interactions energy: -1408.344
where: short stacking energy: -632.102
Base-Backbone interact. energy: 1.379
local terms energy: -698.953393
where:
bonds (distance) C4'-P energy: -133.019
bonds (distance) P-C4' energy: -139.946
flat angles C4'-P-C4' energy: -161.732
flat angles P-C4'-P energy: -90.566
tors. eta vs tors. theta energy: -173.690
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: 8, replica: 1
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -2045.791527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.791527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.257160 (E_RNA)
where:
Base-Base interactions energy: -1365.240
where: short stacking energy: -582.128
Base-Backbone interact. energy: -6.347
local terms energy: -678.670126
where:
bonds (distance) C4'-P energy: -142.453
bonds (distance) P-C4' energy: -133.930
flat angles C4'-P-C4' energy: -158.680
flat angles P-C4'-P energy: -93.294
tors. eta vs tors. theta energy: -150.314
Dist. restrs. and SS energy: 4.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -1948.546384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.546384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.193478 (E_RNA)
where:
Base-Base interactions energy: -1327.166
where: short stacking energy: -551.258
Base-Backbone interact. energy: -1.691
local terms energy: -622.336666
where:
bonds (distance) C4'-P energy: -113.075
bonds (distance) P-C4' energy: -132.659
flat angles C4'-P-C4' energy: -154.132
flat angles P-C4'-P energy: -79.848
tors. eta vs tors. theta energy: -142.622
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: 10, replica: 8
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -1879.002088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.002088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.543285 (E_RNA)
where:
Base-Base interactions energy: -1259.389
where: short stacking energy: -531.536
Base-Backbone interact. energy: 0.782
local terms energy: -625.936376
where:
bonds (distance) C4'-P energy: -131.748
bonds (distance) P-C4' energy: -137.008
flat angles C4'-P-C4' energy: -139.471
flat angles P-C4'-P energy: -93.084
tors. eta vs tors. theta energy: -124.625
Dist. restrs. and SS energy: 5.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -2871.659996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2871.659996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2872.863661 (E_RNA)
where:
Base-Base interactions energy: -2024.199
where: short stacking energy: -841.773
Base-Backbone interact. energy: -5.675
local terms energy: -842.989873
where:
bonds (distance) C4'-P energy: -149.889
bonds (distance) P-C4' energy: -150.268
flat angles C4'-P-C4' energy: -192.572
flat angles P-C4'-P energy: -118.746
tors. eta vs tors. theta energy: -231.514
Dist. restrs. and SS energy: 1.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -2682.293078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.293078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.485139 (E_RNA)
where:
Base-Base interactions energy: -1848.695
where: short stacking energy: -771.128
Base-Backbone interact. energy: -3.846
local terms energy: -830.943869
where:
bonds (distance) C4'-P energy: -161.491
bonds (distance) P-C4' energy: -156.660
flat angles C4'-P-C4' energy: -182.405
flat angles P-C4'-P energy: -107.887
tors. eta vs tors. theta energy: -222.502
Dist. restrs. and SS energy: 1.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -2588.452187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.452187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.059185 (E_RNA)
where:
Base-Base interactions energy: -1756.569
where: short stacking energy: -730.013
Base-Backbone interact. energy: -1.915
local terms energy: -832.574853
where:
bonds (distance) C4'-P energy: -152.492
bonds (distance) P-C4' energy: -163.733
flat angles C4'-P-C4' energy: -176.981
flat angles P-C4'-P energy: -122.913
tors. eta vs tors. theta energy: -216.456
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: 4, replica: 6
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -2465.555720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.555720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.143969 (E_RNA)
where:
Base-Base interactions energy: -1681.578
where: short stacking energy: -714.769
Base-Backbone interact. energy: 5.041
local terms energy: -790.606508
where:
bonds (distance) C4'-P energy: -138.426
bonds (distance) P-C4' energy: -158.485
flat angles C4'-P-C4' energy: -167.778
flat angles P-C4'-P energy: -103.554
tors. eta vs tors. theta energy: -222.364
Dist. restrs. and SS energy: 1.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -2294.642366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.642366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.754726 (E_RNA)
where:
Base-Base interactions energy: -1566.170
where: short stacking energy: -693.999
Base-Backbone interact. energy: -3.810
local terms energy: -726.775013
where:
bonds (distance) C4'-P energy: -136.263
bonds (distance) P-C4' energy: -135.604
flat angles C4'-P-C4' energy: -167.673
flat angles P-C4'-P energy: -93.557
tors. eta vs tors. theta energy: -193.678
Dist. restrs. and SS energy: 2.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -2206.012439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.012439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.908336 (E_RNA)
where:
Base-Base interactions energy: -1505.038
where: short stacking energy: -671.362
Base-Backbone interact. energy: 1.932
local terms energy: -706.802296
where:
bonds (distance) C4'-P energy: -133.919
bonds (distance) P-C4' energy: -146.547
flat angles C4'-P-C4' energy: -160.753
flat angles P-C4'-P energy: -86.058
tors. eta vs tors. theta energy: -179.525
Dist. restrs. and SS energy: 3.896 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -2111.113987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.113987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.522382 (E_RNA)
where:
Base-Base interactions energy: -1433.124
where: short stacking energy: -617.694
Base-Backbone interact. energy: -0.513
local terms energy: -678.885560
where:
bonds (distance) C4'-P energy: -128.113
bonds (distance) P-C4' energy: -129.197
flat angles C4'-P-C4' energy: -153.228
flat angles P-C4'-P energy: -105.601
tors. eta vs tors. theta energy: -162.746
Dist. restrs. and SS energy: 1.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -2052.802060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.802060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.155661 (E_RNA)
where:
Base-Base interactions energy: -1394.312
where: short stacking energy: -581.110
Base-Backbone interact. energy: 3.241
local terms energy: -664.084355
where:
bonds (distance) C4'-P energy: -139.886
bonds (distance) P-C4' energy: -136.350
flat angles C4'-P-C4' energy: -158.907
flat angles P-C4'-P energy: -68.262
tors. eta vs tors. theta energy: -160.679
Dist. restrs. and SS energy: 2.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -1967.690084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.690084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.931775 (E_RNA)
where:
Base-Base interactions energy: -1344.686
where: short stacking energy: -561.561
Base-Backbone interact. energy: -0.223
local terms energy: -625.023515
where:
bonds (distance) C4'-P energy: -122.084
bonds (distance) P-C4' energy: -124.453
flat angles C4'-P-C4' energy: -147.226
flat angles P-C4'-P energy: -90.630
tors. eta vs tors. theta energy: -140.630
Dist. restrs. and SS energy: 2.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -1808.388138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.388138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.704514 (E_RNA)
where:
Base-Base interactions energy: -1246.490
where: short stacking energy: -506.729
Base-Backbone interact. energy: -0.886
local terms energy: -564.328516
where:
bonds (distance) C4'-P energy: -103.147
bonds (distance) P-C4' energy: -144.583
flat angles C4'-P-C4' energy: -144.261
flat angles P-C4'-P energy: -70.409
tors. eta vs tors. theta energy: -101.929
Dist. restrs. and SS energy: 3.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -2900.331183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2900.331183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2901.313773 (E_RNA)
where:
Base-Base interactions energy: -2047.092
where: short stacking energy: -845.042
Base-Backbone interact. energy: -3.904
local terms energy: -850.317737
where:
bonds (distance) C4'-P energy: -157.992
bonds (distance) P-C4' energy: -156.669
flat angles C4'-P-C4' energy: -178.863
flat angles P-C4'-P energy: -128.749
tors. eta vs tors. theta energy: -228.044
Dist. restrs. and SS energy: 0.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -2691.324697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.324697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.167329 (E_RNA)
where:
Base-Base interactions energy: -1885.082
where: short stacking energy: -804.674
Base-Backbone interact. energy: -0.326
local terms energy: -808.759251
where:
bonds (distance) C4'-P energy: -150.846
bonds (distance) P-C4' energy: -149.275
flat angles C4'-P-C4' energy: -171.076
flat angles P-C4'-P energy: -113.694
tors. eta vs tors. theta energy: -223.868
Dist. restrs. and SS energy: 2.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -2599.569081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.569081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.502697 (E_RNA)
where:
Base-Base interactions energy: -1789.494
where: short stacking energy: -753.271
Base-Backbone interact. energy: 2.057
local terms energy: -814.066128
where:
bonds (distance) C4'-P energy: -147.082
bonds (distance) P-C4' energy: -160.718
flat angles C4'-P-C4' energy: -166.002
flat angles P-C4'-P energy: -123.393
tors. eta vs tors. theta energy: -216.870
Dist. restrs. and SS energy: 1.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -2416.498193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.498193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.730594 (E_RNA)
where:
Base-Base interactions energy: -1634.335
where: short stacking energy: -697.283
Base-Backbone interact. energy: -2.744
local terms energy: -781.652139
where:
bonds (distance) C4'-P energy: -147.946
bonds (distance) P-C4' energy: -153.684
flat angles C4'-P-C4' energy: -174.213
flat angles P-C4'-P energy: -105.527
tors. eta vs tors. theta energy: -200.283
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: 5
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -2284.348707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.348707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.105267 (E_RNA)
where:
Base-Base interactions energy: -1543.674
where: short stacking energy: -672.410
Base-Backbone interact. energy: -1.338
local terms energy: -741.094141
where:
bonds (distance) C4'-P energy: -136.560
bonds (distance) P-C4' energy: -152.140
flat angles C4'-P-C4' energy: -161.834
flat angles P-C4'-P energy: -113.312
tors. eta vs tors. theta energy: -177.249
Dist. restrs. and SS energy: 1.757 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -2158.872253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.872253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.299436 (E_RNA)
where:
Base-Base interactions energy: -1438.245
where: short stacking energy: -614.009
Base-Backbone interact. energy: -0.525
local terms energy: -721.528946
where:
bonds (distance) C4'-P energy: -153.226
bonds (distance) P-C4' energy: -141.606
flat angles C4'-P-C4' energy: -157.142
flat angles P-C4'-P energy: -100.771
tors. eta vs tors. theta energy: -168.784
Dist. restrs. and SS energy: 1.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -2096.508683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.508683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.863316 (E_RNA)
where:
Base-Base interactions energy: -1427.991
where: short stacking energy: -613.443
Base-Backbone interact. energy: 2.371
local terms energy: -674.243768
where:
bonds (distance) C4'-P energy: -147.483
bonds (distance) P-C4' energy: -125.474
flat angles C4'-P-C4' energy: -161.782
flat angles P-C4'-P energy: -76.819
tors. eta vs tors. theta energy: -162.685
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: 8, replica: 1
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -2066.510716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.510716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.789880 (E_RNA)
where:
Base-Base interactions energy: -1368.551
where: short stacking energy: -584.656
Base-Backbone interact. energy: -1.518
local terms energy: -698.720991
where:
bonds (distance) C4'-P energy: -139.580
bonds (distance) P-C4' energy: -163.526
flat angles C4'-P-C4' energy: -144.071
flat angles P-C4'-P energy: -80.838
tors. eta vs tors. theta energy: -170.707
Dist. restrs. and SS energy: 2.279 (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: 10
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -1963.137649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.137649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.265800 (E_RNA)
where:
Base-Base interactions energy: -1340.787
where: short stacking energy: -580.295
Base-Backbone interact. energy: 2.554
local terms energy: -628.032706
where:
bonds (distance) C4'-P energy: -127.522
bonds (distance) P-C4' energy: -128.217
flat angles C4'-P-C4' energy: -146.290
flat angles P-C4'-P energy: -78.877
tors. eta vs tors. theta energy: -147.127
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: 10, replica: 8
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -1800.113725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.113725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.454396 (E_RNA)
where:
Base-Base interactions energy: -1216.309
where: short stacking energy: -508.496
Base-Backbone interact. energy: -2.066
local terms energy: -589.078758
where:
bonds (distance) C4'-P energy: -115.390
bonds (distance) P-C4' energy: -124.747
flat angles C4'-P-C4' energy: -147.035
flat angles P-C4'-P energy: -79.191
tors. eta vs tors. theta energy: -122.715
Dist. restrs. and SS energy: 7.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -2871.030449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2871.030449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2872.574124 (E_RNA)
where:
Base-Base interactions energy: -2014.530
where: short stacking energy: -815.919
Base-Backbone interact. energy: 5.465
local terms energy: -863.509936
where:
bonds (distance) C4'-P energy: -160.840
bonds (distance) P-C4' energy: -165.988
flat angles C4'-P-C4' energy: -177.140
flat angles P-C4'-P energy: -120.216
tors. eta vs tors. theta energy: -239.326
Dist. restrs. and SS energy: 1.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -2672.444487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.444487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.823149 (E_RNA)
where:
Base-Base interactions energy: -1841.509
where: short stacking energy: -788.637
Base-Backbone interact. energy: -4.227
local terms energy: -828.086435
where:
bonds (distance) C4'-P energy: -154.334
bonds (distance) P-C4' energy: -152.669
flat angles C4'-P-C4' energy: -175.514
flat angles P-C4'-P energy: -114.221
tors. eta vs tors. theta energy: -231.349
Dist. restrs. and SS energy: 1.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -2573.171804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.171804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.626036 (E_RNA)
where:
Base-Base interactions energy: -1773.307
where: short stacking energy: -760.146
Base-Backbone interact. energy: -3.253
local terms energy: -799.066583
where:
bonds (distance) C4'-P energy: -149.852
bonds (distance) P-C4' energy: -156.539
flat angles C4'-P-C4' energy: -172.644
flat angles P-C4'-P energy: -107.593
tors. eta vs tors. theta energy: -212.438
Dist. restrs. and SS energy: 2.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -2418.794659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.794659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.841189 (E_RNA)
where:
Base-Base interactions energy: -1650.668
where: short stacking energy: -721.857
Base-Backbone interact. energy: -4.122
local terms energy: -766.051384
where:
bonds (distance) C4'-P energy: -139.025
bonds (distance) P-C4' energy: -147.214
flat angles C4'-P-C4' energy: -166.749
flat angles P-C4'-P energy: -103.361
tors. eta vs tors. theta energy: -209.704
Dist. restrs. and SS energy: 2.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -2324.241803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.241803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.342388 (E_RNA)
where:
Base-Base interactions energy: -1547.658
where: short stacking energy: -668.373
Base-Backbone interact. energy: -1.586
local terms energy: -778.098502
where:
bonds (distance) C4'-P energy: -156.661
bonds (distance) P-C4' energy: -143.486
flat angles C4'-P-C4' energy: -175.606
flat angles P-C4'-P energy: -106.221
tors. eta vs tors. theta energy: -196.125
Dist. restrs. and SS energy: 3.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -2136.782361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.782361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.520343 (E_RNA)
where:
Base-Base interactions energy: -1444.686
where: short stacking energy: -628.007
Base-Backbone interact. energy: -3.815
local terms energy: -690.019861
where:
bonds (distance) C4'-P energy: -144.023
bonds (distance) P-C4' energy: -109.118
flat angles C4'-P-C4' energy: -163.860
flat angles P-C4'-P energy: -86.003
tors. eta vs tors. theta energy: -187.016
Dist. restrs. and SS energy: 1.738 (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: 3
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -2124.012574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.012574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.700566 (E_RNA)
where:
Base-Base interactions energy: -1429.472
where: short stacking energy: -630.622
Base-Backbone interact. energy: 4.033
local terms energy: -700.261693
where:
bonds (distance) C4'-P energy: -136.274
bonds (distance) P-C4' energy: -142.946
flat angles C4'-P-C4' energy: -150.429
flat angles P-C4'-P energy: -96.142
tors. eta vs tors. theta energy: -174.469
Dist. restrs. and SS energy: 1.688 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -2036.165508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.165508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.014781 (E_RNA)
where:
Base-Base interactions energy: -1359.050
where: short stacking energy: -580.545
Base-Backbone interact. energy: -3.089
local terms energy: -676.875496
where:
bonds (distance) C4'-P energy: -133.571
bonds (distance) P-C4' energy: -165.114
flat angles C4'-P-C4' energy: -119.881
flat angles P-C4'-P energy: -94.591
tors. eta vs tors. theta energy: -163.719
Dist. restrs. and SS energy: 2.849 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -1955.095510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.095510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.938878 (E_RNA)
where:
Base-Base interactions energy: -1322.859
where: short stacking energy: -566.432
Base-Backbone interact. energy: 1.633
local terms energy: -636.712945
where:
bonds (distance) C4'-P energy: -125.923
bonds (distance) P-C4' energy: -143.429
flat angles C4'-P-C4' energy: -139.761
flat angles P-C4'-P energy: -75.908
tors. eta vs tors. theta energy: -151.692
Dist. restrs. and SS energy: 2.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -1815.839122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.839122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.173068 (E_RNA)
where:
Base-Base interactions energy: -1245.410
where: short stacking energy: -524.568
Base-Backbone interact. energy: 4.515
local terms energy: -581.278049
where:
bonds (distance) C4'-P energy: -120.726
bonds (distance) P-C4' energy: -128.074
flat angles C4'-P-C4' energy: -131.795
flat angles P-C4'-P energy: -85.022
tors. eta vs tors. theta energy: -115.660
Dist. restrs. and SS energy: 6.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -2867.527237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2867.527237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2868.848685 (E_RNA)
where:
Base-Base interactions energy: -1961.658
where: short stacking energy: -818.437
Base-Backbone interact. energy: -1.766
local terms energy: -905.424245
where:
bonds (distance) C4'-P energy: -170.958
bonds (distance) P-C4' energy: -179.127
flat angles C4'-P-C4' energy: -189.539
flat angles P-C4'-P energy: -130.444
tors. eta vs tors. theta energy: -235.357
Dist. restrs. and SS energy: 1.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -2688.580305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.580305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.836174 (E_RNA)
where:
Base-Base interactions energy: -1877.661
where: short stacking energy: -749.329
Base-Backbone interact. energy: 0.598
local terms energy: -812.772927
where:
bonds (distance) C4'-P energy: -153.788
bonds (distance) P-C4' energy: -164.481
flat angles C4'-P-C4' energy: -168.410
flat angles P-C4'-P energy: -116.363
tors. eta vs tors. theta energy: -209.731
Dist. restrs. and SS energy: 1.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -2582.563466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.563466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.429665 (E_RNA)
where:
Base-Base interactions energy: -1782.153
where: short stacking energy: -758.727
Base-Backbone interact. energy: 0.749
local terms energy: -803.026052
where:
bonds (distance) C4'-P energy: -147.101
bonds (distance) P-C4' energy: -147.191
flat angles C4'-P-C4' energy: -180.663
flat angles P-C4'-P energy: -107.273
tors. eta vs tors. theta energy: -220.798
Dist. restrs. and SS energy: 1.866 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -2447.274394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.274394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.433802 (E_RNA)
where:
Base-Base interactions energy: -1635.939
where: short stacking energy: -727.622
Base-Backbone interact. energy: -1.094
local terms energy: -811.401660
where:
bonds (distance) C4'-P energy: -155.843
bonds (distance) P-C4' energy: -158.093
flat angles C4'-P-C4' energy: -162.090
flat angles P-C4'-P energy: -117.691
tors. eta vs tors. theta energy: -217.685
Dist. restrs. and SS energy: 1.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -2273.760556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.760556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.668312 (E_RNA)
where:
Base-Base interactions energy: -1507.378
where: short stacking energy: -668.619
Base-Backbone interact. energy: -2.839
local terms energy: -767.451751
where:
bonds (distance) C4'-P energy: -145.606
bonds (distance) P-C4' energy: -167.614
flat angles C4'-P-C4' energy: -158.758
flat angles P-C4'-P energy: -100.466
tors. eta vs tors. theta energy: -195.008
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: 6, replica: 2
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -2219.959572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.959572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.866959 (E_RNA)
where:
Base-Base interactions energy: -1485.705
where: short stacking energy: -680.046
Base-Backbone interact. energy: 5.164
local terms energy: -743.325186
where:
bonds (distance) C4'-P energy: -131.901
bonds (distance) P-C4' energy: -152.185
flat angles C4'-P-C4' energy: -162.602
flat angles P-C4'-P energy: -100.157
tors. eta vs tors. theta energy: -196.480
Dist. restrs. and SS energy: 3.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -2099.858168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.858168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.236875 (E_RNA)
where:
Base-Base interactions energy: -1430.506
where: short stacking energy: -617.946
Base-Backbone interact. energy: -2.134
local terms energy: -669.596697
where:
bonds (distance) C4'-P energy: -134.244
bonds (distance) P-C4' energy: -112.277
flat angles C4'-P-C4' energy: -157.261
flat angles P-C4'-P energy: -103.217
tors. eta vs tors. theta energy: -162.599
Dist. restrs. and SS energy: 2.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -2079.507011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.507011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.736296 (E_RNA)
where:
Base-Base interactions energy: -1410.120
where: short stacking energy: -613.739
Base-Backbone interact. energy: 0.444
local terms energy: -672.060784
where:
bonds (distance) C4'-P energy: -136.027
bonds (distance) P-C4' energy: -133.948
flat angles C4'-P-C4' energy: -141.337
flat angles P-C4'-P energy: -102.048
tors. eta vs tors. theta energy: -158.700
Dist. restrs. and SS energy: 2.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -1873.892664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.892664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.312496 (E_RNA)
where:
Base-Base interactions energy: -1259.712
where: short stacking energy: -518.576
Base-Backbone interact. energy: -2.878
local terms energy: -616.722259
where:
bonds (distance) C4'-P energy: -115.782
bonds (distance) P-C4' energy: -143.578
flat angles C4'-P-C4' energy: -140.251
flat angles P-C4'-P energy: -103.943
tors. eta vs tors. theta energy: -113.169
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: 10, replica: 10
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -1845.901970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.901970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.558595 (E_RNA)
where:
Base-Base interactions energy: -1260.647
where: short stacking energy: -503.028
Base-Backbone interact. energy: 0.898
local terms energy: -588.809013
where:
bonds (distance) C4'-P energy: -112.274
bonds (distance) P-C4' energy: -117.755
flat angles C4'-P-C4' energy: -143.787
flat angles P-C4'-P energy: -102.277
tors. eta vs tors. theta energy: -112.716
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: 1, replica: 9
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -2878.255959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2878.255959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2880.864587 (E_RNA)
where:
Base-Base interactions energy: -1990.807
where: short stacking energy: -798.243
Base-Backbone interact. energy: -3.075
local terms energy: -886.982190
where:
bonds (distance) C4'-P energy: -164.117
bonds (distance) P-C4' energy: -173.689
flat angles C4'-P-C4' energy: -184.837
flat angles P-C4'-P energy: -129.272
tors. eta vs tors. theta energy: -235.067
Dist. restrs. and SS energy: 2.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -2733.223464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.223464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.384289 (E_RNA)
where:
Base-Base interactions energy: -1875.414
where: short stacking energy: -742.784
Base-Backbone interact. energy: 1.178
local terms energy: -861.148012
where:
bonds (distance) C4'-P energy: -168.049
bonds (distance) P-C4' energy: -155.566
flat angles C4'-P-C4' energy: -184.904
flat angles P-C4'-P energy: -131.069
tors. eta vs tors. theta energy: -221.560
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: 3, replica: 4
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -2576.214502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.214502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.780416 (E_RNA)
where:
Base-Base interactions energy: -1766.006
where: short stacking energy: -758.035
Base-Backbone interact. energy: -3.398
local terms energy: -808.376390
where:
bonds (distance) C4'-P energy: -141.361
bonds (distance) P-C4' energy: -165.767
flat angles C4'-P-C4' energy: -171.521
flat angles P-C4'-P energy: -111.275
tors. eta vs tors. theta energy: -218.452
Dist. restrs. and SS energy: 1.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -2499.239340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.239340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.010980 (E_RNA)
where:
Base-Base interactions energy: -1702.037
where: short stacking energy: -724.215
Base-Backbone interact. energy: 0.718
local terms energy: -799.691480
where:
bonds (distance) C4'-P energy: -145.514
bonds (distance) P-C4' energy: -170.317
flat angles C4'-P-C4' energy: -163.917
flat angles P-C4'-P energy: -104.414
tors. eta vs tors. theta energy: -215.529
Dist. restrs. and SS energy: 1.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -2295.091024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.091024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.332097 (E_RNA)
where:
Base-Base interactions energy: -1558.742
where: short stacking energy: -664.261
Base-Backbone interact. energy: -1.782
local terms energy: -737.808470
where:
bonds (distance) C4'-P energy: -124.438
bonds (distance) P-C4' energy: -159.247
flat angles C4'-P-C4' energy: -162.198
flat angles P-C4'-P energy: -106.029
tors. eta vs tors. theta energy: -185.897
Dist. restrs. and SS energy: 3.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -2190.827678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.827678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.688150 (E_RNA)
where:
Base-Base interactions energy: -1461.639
where: short stacking energy: -657.433
Base-Backbone interact. energy: 0.624
local terms energy: -731.673888
where:
bonds (distance) C4'-P energy: -148.194
bonds (distance) P-C4' energy: -156.320
flat angles C4'-P-C4' energy: -159.148
flat angles P-C4'-P energy: -85.944
tors. eta vs tors. theta energy: -182.068
Dist. restrs. and SS energy: 1.860 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -2152.785076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.785076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.051208 (E_RNA)
where:
Base-Base interactions energy: -1425.685
where: short stacking energy: -626.633
Base-Backbone interact. energy: -1.967
local terms energy: -729.399767
where:
bonds (distance) C4'-P energy: -135.842
bonds (distance) P-C4' energy: -146.065
flat angles C4'-P-C4' energy: -161.168
flat angles P-C4'-P energy: -121.257
tors. eta vs tors. theta energy: -165.068
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: 8, replica: 3
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -2111.283852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.283852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.611133 (E_RNA)
where:
Base-Base interactions energy: -1429.413
where: short stacking energy: -630.995
Base-Backbone interact. energy: 1.530
local terms energy: -685.728099
where:
bonds (distance) C4'-P energy: -105.131
bonds (distance) P-C4' energy: -151.710
flat angles C4'-P-C4' energy: -160.912
flat angles P-C4'-P energy: -91.899
tors. eta vs tors. theta energy: -176.076
Dist. restrs. and SS energy: 2.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -1905.140135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.140135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.403887 (E_RNA)
where:
Base-Base interactions energy: -1245.926
where: short stacking energy: -519.877
Base-Backbone interact. energy: -3.234
local terms energy: -667.243825
where:
bonds (distance) C4'-P energy: -153.494
bonds (distance) P-C4' energy: -146.559
flat angles C4'-P-C4' energy: -150.241
flat angles P-C4'-P energy: -95.006
tors. eta vs tors. theta energy: -121.943
Dist. restrs. and SS energy: 11.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -1899.760801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.760801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.195181 (E_RNA)
where:
Base-Base interactions energy: -1265.484
where: short stacking energy: -537.668
Base-Backbone interact. energy: -3.683
local terms energy: -635.027878
where:
bonds (distance) C4'-P energy: -122.309
bonds (distance) P-C4' energy: -129.932
flat angles C4'-P-C4' energy: -138.775
flat angles P-C4'-P energy: -96.575
tors. eta vs tors. theta energy: -147.437
Dist. restrs. and SS energy: 4.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -2904.326032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2904.326032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2906.542401 (E_RNA)
where:
Base-Base interactions energy: -2029.581
where: short stacking energy: -837.392
Base-Backbone interact. energy: -4.307
local terms energy: -872.654783
where:
bonds (distance) C4'-P energy: -153.732
bonds (distance) P-C4' energy: -172.960
flat angles C4'-P-C4' energy: -189.149
flat angles P-C4'-P energy: -113.654
tors. eta vs tors. theta energy: -243.159
Dist. restrs. and SS energy: 2.216 (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: 7
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -2719.675338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.675338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.392065 (E_RNA)
where:
Base-Base interactions energy: -1872.255
where: short stacking energy: -823.551
Base-Backbone interact. energy: 0.623
local terms energy: -848.760827
where:
bonds (distance) C4'-P energy: -150.938
bonds (distance) P-C4' energy: -171.743
flat angles C4'-P-C4' energy: -178.853
flat angles P-C4'-P energy: -120.554
tors. eta vs tors. theta energy: -226.673
Dist. restrs. and SS energy: 0.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -2599.400140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.400140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.584141 (E_RNA)
where:
Base-Base interactions energy: -1800.890
where: short stacking energy: -754.650
Base-Backbone interact. energy: 0.339
local terms energy: -801.032925
where:
bonds (distance) C4'-P energy: -136.716
bonds (distance) P-C4' energy: -155.088
flat angles C4'-P-C4' energy: -183.328
flat angles P-C4'-P energy: -109.355
tors. eta vs tors. theta energy: -216.546
Dist. restrs. and SS energy: 2.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -2387.213641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.213641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.409282 (E_RNA)
where:
Base-Base interactions energy: -1612.373
where: short stacking energy: -710.363
Base-Backbone interact. energy: -3.027
local terms energy: -773.009314
where:
bonds (distance) C4'-P energy: -151.602
bonds (distance) P-C4' energy: -160.026
flat angles C4'-P-C4' energy: -154.068
flat angles P-C4'-P energy: -119.477
tors. eta vs tors. theta energy: -187.836
Dist. restrs. and SS energy: 1.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -2288.633645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.633645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.175242 (E_RNA)
where:
Base-Base interactions energy: -1562.005
where: short stacking energy: -657.139
Base-Backbone interact. energy: -1.510
local terms energy: -727.659948
where:
bonds (distance) C4'-P energy: -131.340
bonds (distance) P-C4' energy: -151.950
flat angles C4'-P-C4' energy: -166.316
flat angles P-C4'-P energy: -93.571
tors. eta vs tors. theta energy: -184.483
Dist. restrs. and SS energy: 2.542 (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: 2
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -2170.052802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.052802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.800584 (E_RNA)
where:
Base-Base interactions energy: -1469.293
where: short stacking energy: -620.273
Base-Backbone interact. energy: 6.029
local terms energy: -708.536440
where:
bonds (distance) C4'-P energy: -152.909
bonds (distance) P-C4' energy: -147.776
flat angles C4'-P-C4' energy: -160.313
flat angles P-C4'-P energy: -76.264
tors. eta vs tors. theta energy: -171.274
Dist. restrs. and SS energy: 1.748 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -2106.665131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.665131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.663255 (E_RNA)
where:
Base-Base interactions energy: -1403.536
where: short stacking energy: -597.522
Base-Backbone interact. energy: -0.169
local terms energy: -705.958283
where:
bonds (distance) C4'-P energy: -133.904
bonds (distance) P-C4' energy: -145.011
flat angles C4'-P-C4' energy: -156.417
flat angles P-C4'-P energy: -108.900
tors. eta vs tors. theta energy: -161.727
Dist. restrs. and SS energy: 2.998 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -2018.930172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.930172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.549124 (E_RNA)
where:
Base-Base interactions energy: -1375.498
where: short stacking energy: -567.031
Base-Backbone interact. energy: 0.517
local terms energy: -646.567919
where:
bonds (distance) C4'-P energy: -148.250
bonds (distance) P-C4' energy: -116.193
flat angles C4'-P-C4' energy: -141.883
flat angles P-C4'-P energy: -81.601
tors. eta vs tors. theta energy: -158.640
Dist. restrs. and SS energy: 2.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -1882.570468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.570468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.975201 (E_RNA)
where:
Base-Base interactions energy: -1284.917
where: short stacking energy: -514.815
Base-Backbone interact. energy: -2.595
local terms energy: -598.463303
where:
bonds (distance) C4'-P energy: -121.416
bonds (distance) P-C4' energy: -128.221
flat angles C4'-P-C4' energy: -150.719
flat angles P-C4'-P energy: -79.254
tors. eta vs tors. theta energy: -118.853
Dist. restrs. and SS energy: 3.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -1822.258580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.258580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.728243 (E_RNA)
where:
Base-Base interactions energy: -1264.603
where: short stacking energy: -523.645
Base-Backbone interact. energy: 1.014
local terms energy: -562.138681
where:
bonds (distance) C4'-P energy: -100.758
bonds (distance) P-C4' energy: -111.277
flat angles C4'-P-C4' energy: -131.527
flat angles P-C4'-P energy: -93.613
tors. eta vs tors. theta energy: -124.964
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: 1, replica: 9
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -2889.162314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2889.162314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2892.025537 (E_RNA)
where:
Base-Base interactions energy: -2003.340
where: short stacking energy: -817.092
Base-Backbone interact. energy: 1.963
local terms energy: -890.648144
where:
bonds (distance) C4'-P energy: -156.249
bonds (distance) P-C4' energy: -161.497
flat angles C4'-P-C4' energy: -187.934
flat angles P-C4'-P energy: -133.163
tors. eta vs tors. theta energy: -251.805
Dist. restrs. and SS energy: 2.863 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -2681.126270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.126270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.448693 (E_RNA)
where:
Base-Base interactions energy: -1830.558
where: short stacking energy: -739.307
Base-Backbone interact. energy: 0.282
local terms energy: -852.172661
where:
bonds (distance) C4'-P energy: -167.237
bonds (distance) P-C4' energy: -170.805
flat angles C4'-P-C4' energy: -175.569
flat angles P-C4'-P energy: -120.950
tors. eta vs tors. theta energy: -217.611
Dist. restrs. and SS energy: 1.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -2575.259266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.259266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.858791 (E_RNA)
where:
Base-Base interactions energy: -1752.355
where: short stacking energy: -732.391
Base-Backbone interact. energy: -2.441
local terms energy: -822.063632
where:
bonds (distance) C4'-P energy: -162.991
bonds (distance) P-C4' energy: -167.714
flat angles C4'-P-C4' energy: -182.007
flat angles P-C4'-P energy: -100.245
tors. eta vs tors. theta energy: -209.107
Dist. restrs. and SS energy: 1.600 (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: 6
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -2447.112130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.112130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.672276 (E_RNA)
where:
Base-Base interactions energy: -1660.459
where: short stacking energy: -707.555
Base-Backbone interact. energy: 0.330
local terms energy: -788.542427
where:
bonds (distance) C4'-P energy: -139.063
bonds (distance) P-C4' energy: -167.815
flat angles C4'-P-C4' energy: -174.316
flat angles P-C4'-P energy: -104.541
tors. eta vs tors. theta energy: -202.808
Dist. restrs. and SS energy: 1.560 (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: 77
Temperature: 1.100000
Total energy: -2237.057035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.057035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.705247 (E_RNA)
where:
Base-Base interactions energy: -1475.896
where: short stacking energy: -625.955
Base-Backbone interact. energy: -2.753
local terms energy: -761.056545
where:
bonds (distance) C4'-P energy: -152.554
bonds (distance) P-C4' energy: -140.294
flat angles C4'-P-C4' energy: -164.277
flat angles P-C4'-P energy: -117.126
tors. eta vs tors. theta energy: -186.806
Dist. restrs. and SS energy: 2.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -2138.194885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.194885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.576476 (E_RNA)
where:
Base-Base interactions energy: -1426.340
where: short stacking energy: -616.912
Base-Backbone interact. energy: -0.292
local terms energy: -713.943658
where:
bonds (distance) C4'-P energy: -122.197
bonds (distance) P-C4' energy: -159.131
flat angles C4'-P-C4' energy: -161.147
flat angles P-C4'-P energy: -102.649
tors. eta vs tors. theta energy: -168.820
Dist. restrs. and SS energy: 2.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -2100.097017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.097017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.714092 (E_RNA)
where:
Base-Base interactions energy: -1456.356
where: short stacking energy: -595.328
Base-Backbone interact. energy: -0.535
local terms energy: -646.823534
where:
bonds (distance) C4'-P energy: -129.259
bonds (distance) P-C4' energy: -130.972
flat angles C4'-P-C4' energy: -141.336
flat angles P-C4'-P energy: -92.322
tors. eta vs tors. theta energy: -152.934
Dist. restrs. and SS energy: 3.617 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -2054.836493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.836493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.637802 (E_RNA)
where:
Base-Base interactions energy: -1379.230
where: short stacking energy: -601.287
Base-Backbone interact. energy: 9.253
local terms energy: -688.661203
where:
bonds (distance) C4'-P energy: -142.391
bonds (distance) P-C4' energy: -129.576
flat angles C4'-P-C4' energy: -164.239
flat angles P-C4'-P energy: -98.005
tors. eta vs tors. theta energy: -154.450
Dist. restrs. and SS energy: 3.801 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -1907.155132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.155132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.089943 (E_RNA)
where:
Base-Base interactions energy: -1326.814
where: short stacking energy: -565.578
Base-Backbone interact. energy: -0.407
local terms energy: -595.868758
where:
bonds (distance) C4'-P energy: -105.608
bonds (distance) P-C4' energy: -110.462
flat angles C4'-P-C4' energy: -139.731
flat angles P-C4'-P energy: -97.494
tors. eta vs tors. theta energy: -142.574
Dist. restrs. and SS energy: 15.935 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -1930.460785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.460785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.679526 (E_RNA)
where:
Base-Base interactions energy: -1330.330
where: short stacking energy: -545.998
Base-Backbone interact. energy: 3.116
local terms energy: -605.464980
where:
bonds (distance) C4'-P energy: -132.094
bonds (distance) P-C4' energy: -104.329
flat angles C4'-P-C4' energy: -147.080
flat angles P-C4'-P energy: -102.572
tors. eta vs tors. theta energy: -119.389
Dist. restrs. and SS energy: 2.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -2879.675124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2879.675124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2881.826679 (E_RNA)
where:
Base-Base interactions energy: -1995.774
where: short stacking energy: -829.091
Base-Backbone interact. energy: 0.429
local terms energy: -886.481816
where:
bonds (distance) C4'-P energy: -164.523
bonds (distance) P-C4' energy: -163.434
flat angles C4'-P-C4' energy: -196.537
flat angles P-C4'-P energy: -132.814
tors. eta vs tors. theta energy: -229.174
Dist. restrs. and SS energy: 2.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -2692.199642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.199642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.369337 (E_RNA)
where:
Base-Base interactions energy: -1835.900
where: short stacking energy: -779.940
Base-Backbone interact. energy: 0.004
local terms energy: -857.473088
where:
bonds (distance) C4'-P energy: -170.411
bonds (distance) P-C4' energy: -167.967
flat angles C4'-P-C4' energy: -176.102
flat angles P-C4'-P energy: -122.235
tors. eta vs tors. theta energy: -220.758
Dist. restrs. and SS energy: 1.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -2594.264183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.264183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.679147 (E_RNA)
where:
Base-Base interactions energy: -1790.900
where: short stacking energy: -775.616
Base-Backbone interact. energy: -2.146
local terms energy: -804.632950
where:
bonds (distance) C4'-P energy: -148.897
bonds (distance) P-C4' energy: -141.311
flat angles C4'-P-C4' energy: -172.383
flat angles P-C4'-P energy: -120.534
tors. eta vs tors. theta energy: -221.508
Dist. restrs. and SS energy: 3.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -2454.500936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.500936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.116404 (E_RNA)
where:
Base-Base interactions energy: -1660.355
where: short stacking energy: -685.973
Base-Backbone interact. energy: -3.424
local terms energy: -792.336893
where:
bonds (distance) C4'-P energy: -145.040
bonds (distance) P-C4' energy: -170.193
flat angles C4'-P-C4' energy: -175.403
flat angles P-C4'-P energy: -107.522
tors. eta vs tors. theta energy: -194.179
Dist. restrs. and SS energy: 1.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -2266.004766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.004766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.205823 (E_RNA)
where:
Base-Base interactions energy: -1527.065
where: short stacking energy: -678.815
Base-Backbone interact. energy: 2.636
local terms energy: -742.777197
where:
bonds (distance) C4'-P energy: -135.656
bonds (distance) P-C4' energy: -155.794
flat angles C4'-P-C4' energy: -174.714
flat angles P-C4'-P energy: -96.565
tors. eta vs tors. theta energy: -180.048
Dist. restrs. and SS energy: 1.201 (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: 2
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -2163.995388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.995388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.322265 (E_RNA)
where:
Base-Base interactions energy: -1459.209
where: short stacking energy: -608.974
Base-Backbone interact. energy: -2.846
local terms energy: -704.267876
where:
bonds (distance) C4'-P energy: -149.337
bonds (distance) P-C4' energy: -157.690
flat angles C4'-P-C4' energy: -152.328
flat angles P-C4'-P energy: -92.395
tors. eta vs tors. theta energy: -152.518
Dist. restrs. and SS energy: 2.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -2134.466508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.466508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.647099 (E_RNA)
where:
Base-Base interactions energy: -1444.895
where: short stacking energy: -616.462
Base-Backbone interact. energy: -3.669
local terms energy: -688.083782
where:
bonds (distance) C4'-P energy: -133.104
bonds (distance) P-C4' energy: -143.824
flat angles C4'-P-C4' energy: -142.931
flat angles P-C4'-P energy: -101.363
tors. eta vs tors. theta energy: -166.862
Dist. restrs. and SS energy: 2.181 (S_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: 78
Temperature: 1.250000
Total energy: -2026.138693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.138693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.136535 (E_RNA)
where:
Base-Base interactions energy: -1375.592
where: short stacking energy: -588.251
Base-Backbone interact. energy: 1.826
local terms energy: -655.370860
where:
bonds (distance) C4'-P energy: -123.595
bonds (distance) P-C4' energy: -131.361
flat angles C4'-P-C4' energy: -149.006
flat angles P-C4'-P energy: -94.281
tors. eta vs tors. theta energy: -157.128
Dist. restrs. and SS energy: 2.998 (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: 10
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -1906.330933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.330933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.307942 (E_RNA)
where:
Base-Base interactions energy: -1286.339
where: short stacking energy: -529.806
Base-Backbone interact. energy: 2.916
local terms energy: -625.885128
where:
bonds (distance) C4'-P energy: -117.780
bonds (distance) P-C4' energy: -120.521
flat angles C4'-P-C4' energy: -143.417
flat angles P-C4'-P energy: -94.751
tors. eta vs tors. theta energy: -149.417
Dist. restrs. and SS energy: 2.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -1810.296250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.296250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.822859 (E_RNA)
where:
Base-Base interactions energy: -1249.522
where: short stacking energy: -537.608
Base-Backbone interact. energy: 0.174
local terms energy: -566.475152
where:
bonds (distance) C4'-P energy: -114.988
bonds (distance) P-C4' energy: -136.523
flat angles C4'-P-C4' energy: -113.463
flat angles P-C4'-P energy: -74.988
tors. eta vs tors. theta energy: -126.514
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: 1, replica: 9
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -2900.473407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2900.473407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2903.604358 (E_RNA)
where:
Base-Base interactions energy: -1999.162
where: short stacking energy: -841.086
Base-Backbone interact. energy: -2.420
local terms energy: -902.021561
where:
bonds (distance) C4'-P energy: -156.793
bonds (distance) P-C4' energy: -174.236
flat angles C4'-P-C4' energy: -195.143
flat angles P-C4'-P energy: -129.840
tors. eta vs tors. theta energy: -246.009
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: 7
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -2703.382982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.382982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.073635 (E_RNA)
where:
Base-Base interactions energy: -1863.639
where: short stacking energy: -790.424
Base-Backbone interact. energy: -3.284
local terms energy: -838.151020
where:
bonds (distance) C4'-P energy: -157.957
bonds (distance) P-C4' energy: -165.420
flat angles C4'-P-C4' energy: -176.782
flat angles P-C4'-P energy: -118.347
tors. eta vs tors. theta energy: -219.644
Dist. restrs. and SS energy: 1.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -2600.019068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.019068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.999584 (E_RNA)
where:
Base-Base interactions energy: -1792.163
where: short stacking energy: -734.111
Base-Backbone interact. energy: -1.267
local terms energy: -808.569334
where:
bonds (distance) C4'-P energy: -126.943
bonds (distance) P-C4' energy: -160.882
flat angles C4'-P-C4' energy: -179.617
flat angles P-C4'-P energy: -116.787
tors. eta vs tors. theta energy: -224.342
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: 6
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -2490.122225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.122225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.359242 (E_RNA)
where:
Base-Base interactions energy: -1683.751
where: short stacking energy: -709.146
Base-Backbone interact. energy: -3.572
local terms energy: -805.036084
where:
bonds (distance) C4'-P energy: -148.689
bonds (distance) P-C4' energy: -151.310
flat angles C4'-P-C4' energy: -183.836
flat angles P-C4'-P energy: -110.878
tors. eta vs tors. theta energy: -210.323
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: 5, replica: 5
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -2268.780261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.780261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.641045 (E_RNA)
where:
Base-Base interactions energy: -1550.915
where: short stacking energy: -667.072
Base-Backbone interact. energy: -1.726
local terms energy: -718.999207
where:
bonds (distance) C4'-P energy: -129.020
bonds (distance) P-C4' energy: -137.428
flat angles C4'-P-C4' energy: -169.577
flat angles P-C4'-P energy: -99.375
tors. eta vs tors. theta energy: -183.600
Dist. restrs. and SS energy: 2.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -2239.065804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.065804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.072877 (E_RNA)
where:
Base-Base interactions energy: -1507.136
where: short stacking energy: -668.079
Base-Backbone interact. energy: -1.352
local terms energy: -732.585519
where:
bonds (distance) C4'-P energy: -136.759
bonds (distance) P-C4' energy: -143.866
flat angles C4'-P-C4' energy: -150.930
flat angles P-C4'-P energy: -106.905
tors. eta vs tors. theta energy: -194.126
Dist. restrs. and SS energy: 2.007 (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: 2
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -2042.458960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.458960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.004900 (E_RNA)
where:
Base-Base interactions energy: -1386.376
where: short stacking energy: -599.989
Base-Backbone interact. energy: -3.227
local terms energy: -656.401846
where:
bonds (distance) C4'-P energy: -110.374
bonds (distance) P-C4' energy: -118.982
flat angles C4'-P-C4' energy: -167.834
flat angles P-C4'-P energy: -96.919
tors. eta vs tors. theta energy: -162.292
Dist. restrs. and SS energy: 3.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -1992.199384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.199384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.248739 (E_RNA)
where:
Base-Base interactions energy: -1355.932
where: short stacking energy: -590.344
Base-Backbone interact. energy: 1.480
local terms energy: -640.796119
where:
bonds (distance) C4'-P energy: -128.925
bonds (distance) P-C4' energy: -133.076
flat angles C4'-P-C4' energy: -137.030
flat angles P-C4'-P energy: -83.849
tors. eta vs tors. theta energy: -157.917
Dist. restrs. and SS energy: 3.049 (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: 10
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -1902.296665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.296665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.300510 (E_RNA)
where:
Base-Base interactions energy: -1302.190
where: short stacking energy: -518.317
Base-Backbone interact. energy: -0.411
local terms energy: -602.698990
where:
bonds (distance) C4'-P energy: -110.643
bonds (distance) P-C4' energy: -136.622
flat angles C4'-P-C4' energy: -157.496
flat angles P-C4'-P energy: -84.116
tors. eta vs tors. theta energy: -113.822
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: 10, replica: 8
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -1815.027863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.027863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.224834 (E_RNA)
where:
Base-Base interactions energy: -1207.965
where: short stacking energy: -515.034
Base-Backbone interact. energy: 1.424
local terms energy: -617.683749
where:
bonds (distance) C4'-P energy: -125.394
bonds (distance) P-C4' energy: -140.404
flat angles C4'-P-C4' energy: -144.680
flat angles P-C4'-P energy: -82.619
tors. eta vs tors. theta energy: -124.586
Dist. restrs. and SS energy: 9.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -2908.688756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2908.688756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2911.408011 (E_RNA)
where:
Base-Base interactions energy: -2027.420
where: short stacking energy: -842.194
Base-Backbone interact. energy: 1.103
local terms energy: -885.091099
where:
bonds (distance) C4'-P energy: -162.546
bonds (distance) P-C4' energy: -166.371
flat angles C4'-P-C4' energy: -189.658
flat angles P-C4'-P energy: -120.897
tors. eta vs tors. theta energy: -245.620
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: 2, replica: 7
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -2678.028311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.028311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.418619 (E_RNA)
where:
Base-Base interactions energy: -1863.287
where: short stacking energy: -796.876
Base-Backbone interact. energy: 1.749
local terms energy: -817.879900
where:
bonds (distance) C4'-P energy: -141.451
bonds (distance) P-C4' energy: -164.444
flat angles C4'-P-C4' energy: -176.063
flat angles P-C4'-P energy: -112.561
tors. eta vs tors. theta energy: -223.361
Dist. restrs. and SS energy: 1.390 (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: 4
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -2653.076453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.076453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.690165 (E_RNA)
where:
Base-Base interactions energy: -1827.532
where: short stacking energy: -766.723
Base-Backbone interact. energy: -5.174
local terms energy: -821.984852
where:
bonds (distance) C4'-P energy: -157.581
bonds (distance) P-C4' energy: -152.813
flat angles C4'-P-C4' energy: -170.426
flat angles P-C4'-P energy: -115.212
tors. eta vs tors. theta energy: -225.953
Dist. restrs. and SS energy: 1.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -2451.948430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.948430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.123907 (E_RNA)
where:
Base-Base interactions energy: -1653.931
where: short stacking energy: -710.266
Base-Backbone interact. energy: 5.990
local terms energy: -805.182664
where:
bonds (distance) C4'-P energy: -150.480
bonds (distance) P-C4' energy: -150.370
flat angles C4'-P-C4' energy: -176.531
flat angles P-C4'-P energy: -114.470
tors. eta vs tors. theta energy: -213.332
Dist. restrs. and SS energy: 1.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -2279.055562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.055562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.874305 (E_RNA)
where:
Base-Base interactions energy: -1530.120
where: short stacking energy: -652.477
Base-Backbone interact. energy: -1.870
local terms energy: -749.884033
where:
bonds (distance) C4'-P energy: -142.621
bonds (distance) P-C4' energy: -140.118
flat angles C4'-P-C4' energy: -176.820
flat angles P-C4'-P energy: -105.591
tors. eta vs tors. theta energy: -184.734
Dist. restrs. and SS energy: 2.819 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -2181.185949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.185949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.791491 (E_RNA)
where:
Base-Base interactions energy: -1465.632
where: short stacking energy: -616.758
Base-Backbone interact. energy: -1.667
local terms energy: -716.492923
where:
bonds (distance) C4'-P energy: -149.501
bonds (distance) P-C4' energy: -138.733
flat angles C4'-P-C4' energy: -157.399
flat angles P-C4'-P energy: -99.043
tors. eta vs tors. theta energy: -171.815
Dist. restrs. and SS energy: 2.606 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -2084.512753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.512753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.846369 (E_RNA)
where:
Base-Base interactions energy: -1387.628
where: short stacking energy: -590.943
Base-Backbone interact. energy: -0.545
local terms energy: -699.672839
where:
bonds (distance) C4'-P energy: -138.463
bonds (distance) P-C4' energy: -163.024
flat angles C4'-P-C4' energy: -139.202
flat angles P-C4'-P energy: -99.634
tors. eta vs tors. theta energy: -159.349
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: 8, replica: 2
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -2009.533152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.533152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.388239 (E_RNA)
where:
Base-Base interactions energy: -1362.827
where: short stacking energy: -586.256
Base-Backbone interact. energy: -0.405
local terms energy: -648.156305
where:
bonds (distance) C4'-P energy: -133.163
bonds (distance) P-C4' energy: -134.898
flat angles C4'-P-C4' energy: -147.497
flat angles P-C4'-P energy: -85.107
tors. eta vs tors. theta energy: -147.491
Dist. restrs. and SS energy: 1.855 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -1878.501429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.501429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.816482 (E_RNA)
where:
Base-Base interactions energy: -1252.416
where: short stacking energy: -511.996
Base-Backbone interact. energy: -3.426
local terms energy: -631.974383
where:
bonds (distance) C4'-P energy: -126.930
bonds (distance) P-C4' energy: -130.414
flat angles C4'-P-C4' energy: -142.204
flat angles P-C4'-P energy: -102.471
tors. eta vs tors. theta energy: -129.955
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: 10, replica: 10
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -1896.409375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.409375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.153599 (E_RNA)
where:
Base-Base interactions energy: -1274.903
where: short stacking energy: -551.518
Base-Backbone interact. energy: 2.342
local terms energy: -626.592818
where:
bonds (distance) C4'-P energy: -116.973
bonds (distance) P-C4' energy: -130.818
flat angles C4'-P-C4' energy: -142.897
flat angles P-C4'-P energy: -95.766
tors. eta vs tors. theta energy: -140.138
Dist. restrs. and SS energy: 2.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -2905.211659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2905.211659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2907.227078 (E_RNA)
where:
Base-Base interactions energy: -2035.552
where: short stacking energy: -839.360
Base-Backbone interact. energy: -4.842
local terms energy: -866.832957
where:
bonds (distance) C4'-P energy: -168.822
bonds (distance) P-C4' energy: -143.874
flat angles C4'-P-C4' energy: -189.632
flat angles P-C4'-P energy: -129.690
tors. eta vs tors. theta energy: -234.815
Dist. restrs. and SS energy: 2.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -2706.054393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.054393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.201647 (E_RNA)
where:
Base-Base interactions energy: -1862.710
where: short stacking energy: -765.662
Base-Backbone interact. energy: 0.297
local terms energy: -845.789056
where:
bonds (distance) C4'-P energy: -154.791
bonds (distance) P-C4' energy: -165.778
flat angles C4'-P-C4' energy: -178.866
flat angles P-C4'-P energy: -124.594
tors. eta vs tors. theta energy: -221.760
Dist. restrs. and SS energy: 2.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -2609.234557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.234557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.421201 (E_RNA)
where:
Base-Base interactions energy: -1803.235
where: short stacking energy: -770.819
Base-Backbone interact. energy: -3.864
local terms energy: -803.322428
where:
bonds (distance) C4'-P energy: -155.901
bonds (distance) P-C4' energy: -133.629
flat angles C4'-P-C4' energy: -169.176
flat angles P-C4'-P energy: -117.626
tors. eta vs tors. theta energy: -226.990
Dist. restrs. and SS energy: 1.187 (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: 6
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -2443.513138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.513138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.914009 (E_RNA)
where:
Base-Base interactions energy: -1664.948
where: short stacking energy: -708.547
Base-Backbone interact. energy: 2.341
local terms energy: -783.306860
where:
bonds (distance) C4'-P energy: -136.289
bonds (distance) P-C4' energy: -156.092
flat angles C4'-P-C4' energy: -168.225
flat angles P-C4'-P energy: -114.895
tors. eta vs tors. theta energy: -207.805
Dist. restrs. and SS energy: 2.401 (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: 81
Temperature: 1.100000
Total energy: -2251.379963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.379963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.364127 (E_RNA)
where:
Base-Base interactions energy: -1498.203
where: short stacking energy: -641.043
Base-Backbone interact. energy: -0.050
local terms energy: -755.110863
where:
bonds (distance) C4'-P energy: -162.996
bonds (distance) P-C4' energy: -145.220
flat angles C4'-P-C4' energy: -166.015
flat angles P-C4'-P energy: -98.066
tors. eta vs tors. theta energy: -182.813
Dist. restrs. and SS energy: 1.984 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -2216.144805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.144805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.144282 (E_RNA)
where:
Base-Base interactions energy: -1459.276
where: short stacking energy: -641.195
Base-Backbone interact. energy: 1.377
local terms energy: -760.245400
where:
bonds (distance) C4'-P energy: -143.665
bonds (distance) P-C4' energy: -151.012
flat angles C4'-P-C4' energy: -162.089
flat angles P-C4'-P energy: -104.261
tors. eta vs tors. theta energy: -199.218
Dist. restrs. and SS energy: 1.999 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -2033.529110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.529110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.890760 (E_RNA)
where:
Base-Base interactions energy: -1383.312
where: short stacking energy: -579.078
Base-Backbone interact. energy: 0.332
local terms energy: -652.910785
where:
bonds (distance) C4'-P energy: -109.551
bonds (distance) P-C4' energy: -118.016
flat angles C4'-P-C4' energy: -159.342
flat angles P-C4'-P energy: -101.657
tors. eta vs tors. theta energy: -164.346
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: 8, replica: 2
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -2040.070311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.070311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.876453 (E_RNA)
where:
Base-Base interactions energy: -1398.636
where: short stacking energy: -589.439
Base-Backbone interact. energy: 4.838
local terms energy: -649.078311
where:
bonds (distance) C4'-P energy: -121.373
bonds (distance) P-C4' energy: -120.377
flat angles C4'-P-C4' energy: -162.074
flat angles P-C4'-P energy: -93.159
tors. eta vs tors. theta energy: -152.095
Dist. restrs. and SS energy: 2.806 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -1935.728264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.728264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.991057 (E_RNA)
where:
Base-Base interactions energy: -1280.337
where: short stacking energy: -535.858
Base-Backbone interact. energy: -1.786
local terms energy: -659.867494
where:
bonds (distance) C4'-P energy: -140.034
bonds (distance) P-C4' energy: -147.806
flat angles C4'-P-C4' energy: -138.572
flat angles P-C4'-P energy: -91.311
tors. eta vs tors. theta energy: -142.145
Dist. restrs. and SS energy: 6.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -1846.094890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.094890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.559959 (E_RNA)
where:
Base-Base interactions energy: -1268.131
where: short stacking energy: -535.455
Base-Backbone interact. energy: -1.200
local terms energy: -581.228912
where:
bonds (distance) C4'-P energy: -111.581
bonds (distance) P-C4' energy: -126.163
flat angles C4'-P-C4' energy: -119.605
flat angles P-C4'-P energy: -98.045
tors. eta vs tors. theta energy: -125.835
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: 1, replica: 9
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -2883.679877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2883.679877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2885.552284 (E_RNA)
where:
Base-Base interactions energy: -2024.879
where: short stacking energy: -830.992
Base-Backbone interact. energy: -5.144
local terms energy: -855.529509
where:
bonds (distance) C4'-P energy: -152.627
bonds (distance) P-C4' energy: -165.549
flat angles C4'-P-C4' energy: -175.615
flat angles P-C4'-P energy: -119.758
tors. eta vs tors. theta energy: -241.980
Dist. restrs. and SS energy: 1.872 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -2683.259789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.259789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.535657 (E_RNA)
where:
Base-Base interactions energy: -1853.825
where: short stacking energy: -801.557
Base-Backbone interact. energy: -3.271
local terms energy: -827.439034
where:
bonds (distance) C4'-P energy: -136.804
bonds (distance) P-C4' energy: -141.802
flat angles C4'-P-C4' energy: -182.280
flat angles P-C4'-P energy: -127.101
tors. eta vs tors. theta energy: -239.451
Dist. restrs. and SS energy: 1.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -2645.545234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.545234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.557934 (E_RNA)
where:
Base-Base interactions energy: -1824.416
where: short stacking energy: -754.918
Base-Backbone interact. energy: 0.703
local terms energy: -823.845246
where:
bonds (distance) C4'-P energy: -170.065
bonds (distance) P-C4' energy: -147.160
flat angles C4'-P-C4' energy: -160.493
flat angles P-C4'-P energy: -123.227
tors. eta vs tors. theta energy: -222.900
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: 4, replica: 6
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -2458.936911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.936911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.441231 (E_RNA)
where:
Base-Base interactions energy: -1657.689
where: short stacking energy: -696.252
Base-Backbone interact. energy: -1.670
local terms energy: -801.082008
where:
bonds (distance) C4'-P energy: -150.337
bonds (distance) P-C4' energy: -153.482
flat angles C4'-P-C4' energy: -184.078
flat angles P-C4'-P energy: -114.808
tors. eta vs tors. theta energy: -198.376
Dist. restrs. and SS energy: 1.504 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -2235.595613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.595613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.221045 (E_RNA)
where:
Base-Base interactions energy: -1499.559
where: short stacking energy: -673.107
Base-Backbone interact. energy: 1.675
local terms energy: -739.336484
where:
bonds (distance) C4'-P energy: -148.652
bonds (distance) P-C4' energy: -134.524
flat angles C4'-P-C4' energy: -164.679
flat angles P-C4'-P energy: -99.536
tors. eta vs tors. theta energy: -191.946
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: 6, replica: 1
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -2177.192430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.192430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.308005 (E_RNA)
where:
Base-Base interactions energy: -1464.089
where: short stacking energy: -639.445
Base-Backbone interact. energy: 6.556
local terms energy: -721.774890
where:
bonds (distance) C4'-P energy: -144.488
bonds (distance) P-C4' energy: -138.233
flat angles C4'-P-C4' energy: -153.219
flat angles P-C4'-P energy: -104.070
tors. eta vs tors. theta energy: -181.766
Dist. restrs. and SS energy: 2.116 (S_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: -2033.668039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.668039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.130724 (E_RNA)
where:
Base-Base interactions energy: -1413.932
where: short stacking energy: -603.235
Base-Backbone interact. energy: 8.456
local terms energy: -630.653968
where:
bonds (distance) C4'-P energy: -122.744
bonds (distance) P-C4' energy: -128.586
flat angles C4'-P-C4' energy: -157.829
flat angles P-C4'-P energy: -75.319
tors. eta vs tors. theta energy: -146.176
Dist. restrs. and SS energy: 2.463 (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: 2
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -2065.447107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.447107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.518183 (E_RNA)
where:
Base-Base interactions energy: -1400.188
where: short stacking energy: -593.958
Base-Backbone interact. energy: -4.491
local terms energy: -662.839670
where:
bonds (distance) C4'-P energy: -126.322
bonds (distance) P-C4' energy: -130.239
flat angles C4'-P-C4' energy: -151.102
flat angles P-C4'-P energy: -84.171
tors. eta vs tors. theta energy: -171.004
Dist. restrs. and SS energy: 2.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -1933.726601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.726601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.251056 (E_RNA)
where:
Base-Base interactions energy: -1349.521
where: short stacking energy: -569.608
Base-Backbone interact. energy: -3.603
local terms energy: -583.127090
where:
bonds (distance) C4'-P energy: -107.022
bonds (distance) P-C4' energy: -110.978
flat angles C4'-P-C4' energy: -145.888
flat angles P-C4'-P energy: -77.362
tors. eta vs tors. theta energy: -141.877
Dist. restrs. and SS energy: 2.524 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -1850.245386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.245386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.341819 (E_RNA)
where:
Base-Base interactions energy: -1258.464
where: short stacking energy: -530.343
Base-Backbone interact. energy: -0.662
local terms energy: -595.216607
where:
bonds (distance) C4'-P energy: -116.111
bonds (distance) P-C4' energy: -137.924
flat angles C4'-P-C4' energy: -124.417
flat angles P-C4'-P energy: -75.873
tors. eta vs tors. theta energy: -140.892
Dist. restrs. and SS energy: 4.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -2919.244215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2919.244215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2920.940771 (E_RNA)
where:
Base-Base interactions energy: -2030.855
where: short stacking energy: -827.539
Base-Backbone interact. energy: -2.025
local terms energy: -888.060378
where:
bonds (distance) C4'-P energy: -158.891
bonds (distance) P-C4' energy: -165.059
flat angles C4'-P-C4' energy: -195.755
flat angles P-C4'-P energy: -123.796
tors. eta vs tors. theta energy: -244.560
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: 2, replica: 4
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -2683.497122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.497122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.010287 (E_RNA)
where:
Base-Base interactions energy: -1839.776
where: short stacking energy: -797.371
Base-Backbone interact. energy: 2.200
local terms energy: -848.434509
where:
bonds (distance) C4'-P energy: -148.169
bonds (distance) P-C4' energy: -151.168
flat angles C4'-P-C4' energy: -195.220
flat angles P-C4'-P energy: -112.598
tors. eta vs tors. theta energy: -241.281
Dist. restrs. and SS energy: 2.513 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -2626.877861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.877861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.583163 (E_RNA)
where:
Base-Base interactions energy: -1828.768
where: short stacking energy: -773.078
Base-Backbone interact. energy: -2.067
local terms energy: -798.748726
where:
bonds (distance) C4'-P energy: -152.494
bonds (distance) P-C4' energy: -150.563
flat angles C4'-P-C4' energy: -166.825
flat angles P-C4'-P energy: -103.761
tors. eta vs tors. theta energy: -225.106
Dist. restrs. and SS energy: 2.705 (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: 6
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -2452.382582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.382582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.541092 (E_RNA)
where:
Base-Base interactions energy: -1693.944
where: short stacking energy: -738.223
Base-Backbone interact. energy: 0.556
local terms energy: -761.153212
where:
bonds (distance) C4'-P energy: -135.099
bonds (distance) P-C4' energy: -161.637
flat angles C4'-P-C4' energy: -165.170
flat angles P-C4'-P energy: -95.597
tors. eta vs tors. theta energy: -203.650
Dist. restrs. and SS energy: 2.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -2278.185522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.185522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.621047 (E_RNA)
where:
Base-Base interactions energy: -1544.559
where: short stacking energy: -653.046
Base-Backbone interact. energy: 2.182
local terms energy: -738.243426
where:
bonds (distance) C4'-P energy: -130.640
bonds (distance) P-C4' energy: -147.705
flat angles C4'-P-C4' energy: -170.164
flat angles P-C4'-P energy: -102.340
tors. eta vs tors. theta energy: -187.395
Dist. restrs. and SS energy: 2.436 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -2200.891310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.891310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.765058 (E_RNA)
where:
Base-Base interactions energy: -1482.874
where: short stacking energy: -655.902
Base-Backbone interact. energy: -2.166
local terms energy: -717.725325
where:
bonds (distance) C4'-P energy: -139.169
bonds (distance) P-C4' energy: -147.411
flat angles C4'-P-C4' energy: -151.568
flat angles P-C4'-P energy: -107.219
tors. eta vs tors. theta energy: -172.357
Dist. restrs. and SS energy: 1.874 (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: 3
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -2068.202175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.202175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.683987 (E_RNA)
where:
Base-Base interactions energy: -1416.060
where: short stacking energy: -616.413
Base-Backbone interact. energy: -4.425
local terms energy: -650.199371
where:
bonds (distance) C4'-P energy: -124.415
bonds (distance) P-C4' energy: -122.850
flat angles C4'-P-C4' energy: -147.609
flat angles P-C4'-P energy: -80.061
tors. eta vs tors. theta energy: -175.264
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: 8, replica: 10
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -1997.816439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.816439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.626909 (E_RNA)
where:
Base-Base interactions energy: -1359.314
where: short stacking energy: -580.626
Base-Backbone interact. energy: 1.080
local terms energy: -641.392942
where:
bonds (distance) C4'-P energy: -134.473
bonds (distance) P-C4' energy: -145.468
flat angles C4'-P-C4' energy: -123.980
flat angles P-C4'-P energy: -92.480
tors. eta vs tors. theta energy: -144.993
Dist. restrs. and SS energy: 1.810 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -1967.968217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.968217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.642463 (E_RNA)
where:
Base-Base interactions energy: -1362.598
where: short stacking energy: -567.545
Base-Backbone interact. energy: -1.104
local terms energy: -607.939766
where:
bonds (distance) C4'-P energy: -114.086
bonds (distance) P-C4' energy: -116.949
flat angles C4'-P-C4' energy: -141.427
flat angles P-C4'-P energy: -75.468
tors. eta vs tors. theta energy: -160.010
Dist. restrs. and SS energy: 3.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -1822.134912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.134912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.055655 (E_RNA)
where:
Base-Base interactions energy: -1212.425
where: short stacking energy: -491.141
Base-Backbone interact. energy: -0.522
local terms energy: -614.108998
where:
bonds (distance) C4'-P energy: -122.040
bonds (distance) P-C4' energy: -120.700
flat angles C4'-P-C4' energy: -139.690
flat angles P-C4'-P energy: -94.637
tors. eta vs tors. theta energy: -137.041
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: 1, replica: 9
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -2928.298652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2928.298652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2932.276296 (E_RNA)
where:
Base-Base interactions energy: -2083.502
where: short stacking energy: -830.084
Base-Backbone interact. energy: -0.996
local terms energy: -847.777715
where:
bonds (distance) C4'-P energy: -169.028
bonds (distance) P-C4' energy: -161.804
flat angles C4'-P-C4' energy: -181.622
flat angles P-C4'-P energy: -101.141
tors. eta vs tors. theta energy: -234.182
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: 2, replica: 4
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -2682.615574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.615574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.248067 (E_RNA)
where:
Base-Base interactions energy: -1812.433
where: short stacking energy: -781.931
Base-Backbone interact. energy: -0.918
local terms energy: -870.896828
where:
bonds (distance) C4'-P energy: -169.538
bonds (distance) P-C4' energy: -162.016
flat angles C4'-P-C4' energy: -180.411
flat angles P-C4'-P energy: -129.227
tors. eta vs tors. theta energy: -229.705
Dist. restrs. and SS energy: 1.632 (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: 7
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -2627.013896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.013896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.407093 (E_RNA)
where:
Base-Base interactions energy: -1808.831
where: short stacking energy: -764.483
Base-Backbone interact. energy: -1.625
local terms energy: -817.950959
where:
bonds (distance) C4'-P energy: -145.861
bonds (distance) P-C4' energy: -167.697
flat angles C4'-P-C4' energy: -179.510
flat angles P-C4'-P energy: -119.394
tors. eta vs tors. theta energy: -205.490
Dist. restrs. and SS energy: 1.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -2456.514532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.514532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.753646 (E_RNA)
where:
Base-Base interactions energy: -1657.052
where: short stacking energy: -716.258
Base-Backbone interact. energy: -0.390
local terms energy: -800.311679
where:
bonds (distance) C4'-P energy: -139.911
bonds (distance) P-C4' energy: -152.898
flat angles C4'-P-C4' energy: -172.314
flat angles P-C4'-P energy: -124.075
tors. eta vs tors. theta energy: -211.113
Dist. restrs. and SS energy: 1.239 (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: 5
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -2268.502259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.502259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.213205 (E_RNA)
where:
Base-Base interactions energy: -1517.024
where: short stacking energy: -657.902
Base-Backbone interact. energy: 5.381
local terms energy: -759.570254
where:
bonds (distance) C4'-P energy: -160.073
bonds (distance) P-C4' energy: -169.381
flat angles C4'-P-C4' energy: -149.792
flat angles P-C4'-P energy: -115.085
tors. eta vs tors. theta energy: -165.239
Dist. restrs. and SS energy: 2.711 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -2146.977555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.977555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.320402 (E_RNA)
where:
Base-Base interactions energy: -1450.172
where: short stacking energy: -632.432
Base-Backbone interact. energy: -1.742
local terms energy: -699.406985
where:
bonds (distance) C4'-P energy: -142.625
bonds (distance) P-C4' energy: -142.977
flat angles C4'-P-C4' energy: -151.946
flat angles P-C4'-P energy: -95.753
tors. eta vs tors. theta energy: -166.107
Dist. restrs. and SS energy: 4.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -2091.582831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.582831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.463293 (E_RNA)
where:
Base-Base interactions energy: -1414.455
where: short stacking energy: -606.939
Base-Backbone interact. energy: -2.800
local terms energy: -676.208950
where:
bonds (distance) C4'-P energy: -128.074
bonds (distance) P-C4' energy: -126.033
flat angles C4'-P-C4' energy: -148.912
flat angles P-C4'-P energy: -94.867
tors. eta vs tors. theta energy: -178.324
Dist. restrs. and SS energy: 1.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -2019.696629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.696629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.738406 (E_RNA)
where:
Base-Base interactions energy: -1379.307
where: short stacking energy: -577.711
Base-Backbone interact. energy: -1.099
local terms energy: -641.332305
where:
bonds (distance) C4'-P energy: -130.212
bonds (distance) P-C4' energy: -138.198
flat angles C4'-P-C4' energy: -138.074
flat angles P-C4'-P energy: -91.236
tors. eta vs tors. theta energy: -143.611
Dist. restrs. and SS energy: 2.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -1919.173109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.173109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.213730 (E_RNA)
where:
Base-Base interactions energy: -1280.948
where: short stacking energy: -529.428
Base-Backbone interact. energy: 1.616
local terms energy: -643.881982
where:
bonds (distance) C4'-P energy: -139.668
bonds (distance) P-C4' energy: -133.567
flat angles C4'-P-C4' energy: -137.565
flat angles P-C4'-P energy: -88.923
tors. eta vs tors. theta energy: -144.158
Dist. restrs. and SS energy: 4.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -1809.742137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.742137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.436235 (E_RNA)
where:
Base-Base interactions energy: -1225.584
where: short stacking energy: -522.610
Base-Backbone interact. energy: -0.694
local terms energy: -593.158806
where:
bonds (distance) C4'-P energy: -128.899
bonds (distance) P-C4' energy: -122.472
flat angles C4'-P-C4' energy: -129.576
flat angles P-C4'-P energy: -93.006
tors. eta vs tors. theta energy: -119.206
Dist. restrs. and SS energy: 9.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -2931.109790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2931.109790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2932.757866 (E_RNA)
where:
Base-Base interactions energy: -2072.856
where: short stacking energy: -842.947
Base-Backbone interact. energy: -4.222
local terms energy: -855.679370
where:
bonds (distance) C4'-P energy: -147.635
bonds (distance) P-C4' energy: -167.480
flat angles C4'-P-C4' energy: -178.197
flat angles P-C4'-P energy: -117.137
tors. eta vs tors. theta energy: -245.231
Dist. restrs. and SS energy: 1.648 (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: 4
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -2671.910419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.910419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.928784 (E_RNA)
where:
Base-Base interactions energy: -1836.452
where: short stacking energy: -782.727
Base-Backbone interact. energy: -4.602
local terms energy: -833.874837
where:
bonds (distance) C4'-P energy: -154.636
bonds (distance) P-C4' energy: -135.974
flat angles C4'-P-C4' energy: -185.388
flat angles P-C4'-P energy: -135.654
tors. eta vs tors. theta energy: -222.223
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: 3, replica: 7
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -2591.939745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.939745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.520352 (E_RNA)
where:
Base-Base interactions energy: -1769.623
where: short stacking energy: -752.397
Base-Backbone interact. energy: -0.144
local terms energy: -825.752607
where:
bonds (distance) C4'-P energy: -145.909
bonds (distance) P-C4' energy: -157.046
flat angles C4'-P-C4' energy: -185.326
flat angles P-C4'-P energy: -123.148
tors. eta vs tors. theta energy: -214.325
Dist. restrs. and SS energy: 3.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -2466.896000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.896000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.111265 (E_RNA)
where:
Base-Base interactions energy: -1670.859
where: short stacking energy: -749.646
Base-Backbone interact. energy: -0.506
local terms energy: -797.746275
where:
bonds (distance) C4'-P energy: -146.733
bonds (distance) P-C4' energy: -152.025
flat angles C4'-P-C4' energy: -172.462
flat angles P-C4'-P energy: -108.596
tors. eta vs tors. theta energy: -217.930
Dist. restrs. and SS energy: 2.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -2291.567164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.567164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.010143 (E_RNA)
where:
Base-Base interactions energy: -1542.059
where: short stacking energy: -689.026
Base-Backbone interact. energy: 2.500
local terms energy: -755.451002
where:
bonds (distance) C4'-P energy: -152.604
bonds (distance) P-C4' energy: -144.836
flat angles C4'-P-C4' energy: -154.746
flat angles P-C4'-P energy: -109.607
tors. eta vs tors. theta energy: -193.658
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: 1
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -2182.400042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.400042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.105506 (E_RNA)
where:
Base-Base interactions energy: -1483.064
where: short stacking energy: -638.382
Base-Backbone interact. energy: 1.775
local terms energy: -703.816757
where:
bonds (distance) C4'-P energy: -119.420
bonds (distance) P-C4' energy: -145.634
flat angles C4'-P-C4' energy: -155.872
flat angles P-C4'-P energy: -99.738
tors. eta vs tors. theta energy: -183.153
Dist. restrs. and SS energy: 2.705 (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: 3
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -2086.858658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.858658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.916798 (E_RNA)
where:
Base-Base interactions energy: -1397.812
where: short stacking energy: -607.627
Base-Backbone interact. energy: 2.785
local terms energy: -693.888959
where:
bonds (distance) C4'-P energy: -135.550
bonds (distance) P-C4' energy: -127.511
flat angles C4'-P-C4' energy: -162.649
flat angles P-C4'-P energy: -105.984
tors. eta vs tors. theta energy: -162.195
Dist. restrs. and SS energy: 2.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -2012.978505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.978505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.353965 (E_RNA)
where:
Base-Base interactions energy: -1344.744
where: short stacking energy: -546.809
Base-Backbone interact. energy: 1.670
local terms energy: -672.279709
where:
bonds (distance) C4'-P energy: -139.280
bonds (distance) P-C4' energy: -153.883
flat angles C4'-P-C4' energy: -151.762
flat angles P-C4'-P energy: -87.322
tors. eta vs tors. theta energy: -140.033
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: 9, replica: 2
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -1930.804361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.804361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.543198 (E_RNA)
where:
Base-Base interactions energy: -1320.887
where: short stacking energy: -543.270
Base-Backbone interact. energy: -1.570
local terms energy: -610.086338
where:
bonds (distance) C4'-P energy: -120.558
bonds (distance) P-C4' energy: -117.927
flat angles C4'-P-C4' energy: -163.672
flat angles P-C4'-P energy: -72.325
tors. eta vs tors. theta energy: -135.605
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: 10, replica: 8
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -1856.467820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.467820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.258094 (E_RNA)
where:
Base-Base interactions energy: -1253.285
where: short stacking energy: -518.875
Base-Backbone interact. energy: 0.992
local terms energy: -607.964801
where:
bonds (distance) C4'-P energy: -140.845
bonds (distance) P-C4' energy: -119.592
flat angles C4'-P-C4' energy: -145.641
flat angles P-C4'-P energy: -81.983
tors. eta vs tors. theta energy: -119.905
Dist. restrs. and SS energy: 3.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -2950.982431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2950.982431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2952.982564 (E_RNA)
where:
Base-Base interactions energy: -2070.054
where: short stacking energy: -840.007
Base-Backbone interact. energy: 0.277
local terms energy: -883.205588
where:
bonds (distance) C4'-P energy: -152.502
bonds (distance) P-C4' energy: -173.378
flat angles C4'-P-C4' energy: -194.331
flat angles P-C4'-P energy: -111.637
tors. eta vs tors. theta energy: -251.358
Dist. restrs. and SS energy: 2.000 (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: 4
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -2705.785560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.785560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.906245 (E_RNA)
where:
Base-Base interactions energy: -1851.051
where: short stacking energy: -803.721
Base-Backbone interact. energy: -2.207
local terms energy: -854.648428
where:
bonds (distance) C4'-P energy: -148.544
bonds (distance) P-C4' energy: -153.747
flat angles C4'-P-C4' energy: -180.594
flat angles P-C4'-P energy: -136.210
tors. eta vs tors. theta energy: -235.555
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: 3, replica: 7
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -2593.423163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.423163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.414447 (E_RNA)
where:
Base-Base interactions energy: -1756.637
where: short stacking energy: -753.186
Base-Backbone interact. energy: -0.791
local terms energy: -837.985986
where:
bonds (distance) C4'-P energy: -169.615
bonds (distance) P-C4' energy: -149.705
flat angles C4'-P-C4' energy: -187.778
flat angles P-C4'-P energy: -118.036
tors. eta vs tors. theta energy: -212.852
Dist. restrs. and SS energy: 1.991 (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: 6
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -2473.171273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.171273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.586054 (E_RNA)
where:
Base-Base interactions energy: -1674.776
where: short stacking energy: -719.598
Base-Backbone interact. energy: -0.922
local terms energy: -799.888400
where:
bonds (distance) C4'-P energy: -158.825
bonds (distance) P-C4' energy: -148.065
flat angles C4'-P-C4' energy: -164.259
flat angles P-C4'-P energy: -109.303
tors. eta vs tors. theta energy: -219.437
Dist. restrs. and SS energy: 2.415 (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: 1
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -2234.963315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.963315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.608194 (E_RNA)
where:
Base-Base interactions energy: -1510.267
where: short stacking energy: -680.791
Base-Backbone interact. energy: 1.272
local terms energy: -727.612570
where:
bonds (distance) C4'-P energy: -149.098
bonds (distance) P-C4' energy: -143.552
flat angles C4'-P-C4' energy: -152.285
flat angles P-C4'-P energy: -98.476
tors. eta vs tors. theta energy: -184.201
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: 6, replica: 5
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -2214.984127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.984127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.927369 (E_RNA)
where:
Base-Base interactions energy: -1522.785
where: short stacking energy: -646.905
Base-Backbone interact. energy: -3.051
local terms energy: -692.091108
where:
bonds (distance) C4'-P energy: -132.696
bonds (distance) P-C4' energy: -121.778
flat angles C4'-P-C4' energy: -166.178
flat angles P-C4'-P energy: -84.962
tors. eta vs tors. theta energy: -186.477
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: 7, replica: 3
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -2114.561196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.561196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.110265 (E_RNA)
where:
Base-Base interactions energy: -1415.675
where: short stacking energy: -615.791
Base-Backbone interact. energy: -0.039
local terms energy: -702.396245
where:
bonds (distance) C4'-P energy: -127.125
bonds (distance) P-C4' energy: -149.850
flat angles C4'-P-C4' energy: -144.594
flat angles P-C4'-P energy: -96.610
tors. eta vs tors. theta energy: -184.217
Dist. restrs. and SS energy: 3.549 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -1989.917686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.917686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.071958 (E_RNA)
where:
Base-Base interactions energy: -1349.180
where: short stacking energy: -564.892
Base-Backbone interact. energy: -2.744
local terms energy: -640.147709
where:
bonds (distance) C4'-P energy: -128.759
bonds (distance) P-C4' energy: -141.606
flat angles C4'-P-C4' energy: -147.077
flat angles P-C4'-P energy: -81.940
tors. eta vs tors. theta energy: -140.766
Dist. restrs. and SS energy: 2.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -1904.680238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.680238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.274692 (E_RNA)
where:
Base-Base interactions energy: -1290.741
where: short stacking energy: -507.382
Base-Backbone interact. energy: 7.890
local terms energy: -627.423307
where:
bonds (distance) C4'-P energy: -137.015
bonds (distance) P-C4' energy: -140.372
flat angles C4'-P-C4' energy: -140.327
flat angles P-C4'-P energy: -82.152
tors. eta vs tors. theta energy: -127.558
Dist. restrs. and SS energy: 5.594 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -1862.255399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.255399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.050034 (E_RNA)
where:
Base-Base interactions energy: -1246.408
where: short stacking energy: -533.685
Base-Backbone interact. energy: -0.110
local terms energy: -619.532255
where:
bonds (distance) C4'-P energy: -107.330
bonds (distance) P-C4' energy: -138.448
flat angles C4'-P-C4' energy: -145.274
flat angles P-C4'-P energy: -88.548
tors. eta vs tors. theta energy: -139.932
Dist. restrs. and SS energy: 3.795 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -2945.288836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2945.288836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2949.303878 (E_RNA)
where:
Base-Base interactions energy: -2053.219
where: short stacking energy: -853.004
Base-Backbone interact. energy: 0.304
local terms energy: -896.388001
where:
bonds (distance) C4'-P energy: -158.292
bonds (distance) P-C4' energy: -166.038
flat angles C4'-P-C4' energy: -194.202
flat angles P-C4'-P energy: -131.033
tors. eta vs tors. theta energy: -246.822
Dist. restrs. and SS energy: 4.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -2685.262492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.262492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.657852 (E_RNA)
where:
Base-Base interactions energy: -1851.522
where: short stacking energy: -813.431
Base-Backbone interact. energy: -2.788
local terms energy: -833.347944
where:
bonds (distance) C4'-P energy: -149.615
bonds (distance) P-C4' energy: -148.196
flat angles C4'-P-C4' energy: -176.561
flat angles P-C4'-P energy: -127.724
tors. eta vs tors. theta energy: -231.252
Dist. restrs. and SS energy: 2.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -2603.029486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.029486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.196357 (E_RNA)
where:
Base-Base interactions energy: -1806.770
where: short stacking energy: -764.909
Base-Backbone interact. energy: 8.531
local terms energy: -806.957582
where:
bonds (distance) C4'-P energy: -144.525
bonds (distance) P-C4' energy: -146.083
flat angles C4'-P-C4' energy: -167.170
flat angles P-C4'-P energy: -131.568
tors. eta vs tors. theta energy: -217.612
Dist. restrs. and SS energy: 2.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -2412.162295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.162295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.420602 (E_RNA)
where:
Base-Base interactions energy: -1630.018
where: short stacking energy: -688.500
Base-Backbone interact. energy: -0.241
local terms energy: -784.161364
where:
bonds (distance) C4'-P energy: -143.028
bonds (distance) P-C4' energy: -147.590
flat angles C4'-P-C4' energy: -175.150
flat angles P-C4'-P energy: -122.212
tors. eta vs tors. theta energy: -196.181
Dist. restrs. and SS energy: 2.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -2300.476519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.476519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.457233 (E_RNA)
where:
Base-Base interactions energy: -1552.411
where: short stacking energy: -704.312
Base-Backbone interact. energy: -1.545
local terms energy: -748.500709
where:
bonds (distance) C4'-P energy: -150.936
bonds (distance) P-C4' energy: -142.812
flat angles C4'-P-C4' energy: -160.218
flat angles P-C4'-P energy: -97.931
tors. eta vs tors. theta energy: -196.603
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: 6, replica: 5
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -2219.467181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.467181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.611947 (E_RNA)
where:
Base-Base interactions energy: -1498.575
where: short stacking energy: -642.222
Base-Backbone interact. energy: 0.004
local terms energy: -723.041194
where:
bonds (distance) C4'-P energy: -132.024
bonds (distance) P-C4' energy: -156.950
flat angles C4'-P-C4' energy: -144.015
flat angles P-C4'-P energy: -107.644
tors. eta vs tors. theta energy: -182.408
Dist. restrs. and SS energy: 2.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -2107.955838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.955838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.086876 (E_RNA)
where:
Base-Base interactions energy: -1417.783
where: short stacking energy: -600.840
Base-Backbone interact. energy: -0.428
local terms energy: -692.876387
where:
bonds (distance) C4'-P energy: -131.749
bonds (distance) P-C4' energy: -136.694
flat angles C4'-P-C4' energy: -159.714
flat angles P-C4'-P energy: -103.368
tors. eta vs tors. theta energy: -161.352
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: 8, replica: 10
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -2022.978587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.978587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.708249 (E_RNA)
where:
Base-Base interactions energy: -1395.110
where: short stacking energy: -608.833
Base-Backbone interact. energy: 0.717
local terms energy: -631.315318
where:
bonds (distance) C4'-P energy: -114.408
bonds (distance) P-C4' energy: -123.706
flat angles C4'-P-C4' energy: -132.186
flat angles P-C4'-P energy: -101.642
tors. eta vs tors. theta energy: -159.372
Dist. restrs. and SS energy: 2.730 (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: 2
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -1912.901522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.901522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.992197 (E_RNA)
where:
Base-Base interactions energy: -1284.035
where: short stacking energy: -539.182
Base-Backbone interact. energy: 0.960
local terms energy: -633.917938
where:
bonds (distance) C4'-P energy: -139.844
bonds (distance) P-C4' energy: -130.709
flat angles C4'-P-C4' energy: -154.824
flat angles P-C4'-P energy: -82.837
tors. eta vs tors. theta energy: -125.703
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: 10, replica: 8
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -1825.397853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.397853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.796620 (E_RNA)
where:
Base-Base interactions energy: -1267.539
where: short stacking energy: -519.729
Base-Backbone interact. energy: -1.927
local terms energy: -561.331272
where:
bonds (distance) C4'-P energy: -118.181
bonds (distance) P-C4' energy: -137.233
flat angles C4'-P-C4' energy: -121.774
flat angles P-C4'-P energy: -66.032
tors. eta vs tors. theta energy: -118.111
Dist. restrs. and SS energy: 5.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -2950.128088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2950.128088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2953.180595 (E_RNA)
where:
Base-Base interactions energy: -2044.942
where: short stacking energy: -844.129
Base-Backbone interact. energy: -3.493
local terms energy: -904.745737
where:
bonds (distance) C4'-P energy: -166.301
bonds (distance) P-C4' energy: -172.867
flat angles C4'-P-C4' energy: -189.177
flat angles P-C4'-P energy: -120.197
tors. eta vs tors. theta energy: -256.204
Dist. restrs. and SS energy: 3.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -2679.851526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.851526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.617347 (E_RNA)
where:
Base-Base interactions energy: -1861.290
where: short stacking energy: -790.418
Base-Backbone interact. energy: -1.309
local terms energy: -819.017565
where:
bonds (distance) C4'-P energy: -149.156
bonds (distance) P-C4' energy: -159.080
flat angles C4'-P-C4' energy: -175.016
flat angles P-C4'-P energy: -121.379
tors. eta vs tors. theta energy: -214.388
Dist. restrs. and SS energy: 1.766 (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: 7
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -2578.558297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.558297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.572611 (E_RNA)
where:
Base-Base interactions energy: -1759.875
where: short stacking energy: -770.391
Base-Backbone interact. energy: 3.460
local terms energy: -824.157726
where:
bonds (distance) C4'-P energy: -144.702
bonds (distance) P-C4' energy: -162.518
flat angles C4'-P-C4' energy: -180.216
flat angles P-C4'-P energy: -117.363
tors. eta vs tors. theta energy: -219.360
Dist. restrs. and SS energy: 2.014 (S_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: 88
Temperature: 1.050000
Total energy: -2421.523469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.523469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.814161 (E_RNA)
where:
Base-Base interactions energy: -1636.361
where: short stacking energy: -691.641
Base-Backbone interact. energy: -1.198
local terms energy: -785.255492
where:
bonds (distance) C4'-P energy: -138.121
bonds (distance) P-C4' energy: -160.130
flat angles C4'-P-C4' energy: -176.708
flat angles P-C4'-P energy: -115.171
tors. eta vs tors. theta energy: -195.126
Dist. restrs. and SS energy: 1.291 (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: 1
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -2297.225604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.225604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.974796 (E_RNA)
where:
Base-Base interactions energy: -1553.853
where: short stacking energy: -664.884
Base-Backbone interact. energy: 0.222
local terms energy: -745.343262
where:
bonds (distance) C4'-P energy: -149.450
bonds (distance) P-C4' energy: -130.246
flat angles C4'-P-C4' energy: -169.066
flat angles P-C4'-P energy: -108.052
tors. eta vs tors. theta energy: -188.529
Dist. restrs. and SS energy: 1.749 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -2167.461820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.461820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.502492 (E_RNA)
where:
Base-Base interactions energy: -1471.741
where: short stacking energy: -679.294
Base-Backbone interact. energy: -2.458
local terms energy: -697.303303
where:
bonds (distance) C4'-P energy: -129.053
bonds (distance) P-C4' energy: -129.834
flat angles C4'-P-C4' energy: -151.822
flat angles P-C4'-P energy: -103.234
tors. eta vs tors. theta energy: -183.359
Dist. restrs. and SS energy: 4.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -2164.928498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.928498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.420007 (E_RNA)
where:
Base-Base interactions energy: -1453.408
where: short stacking energy: -615.102
Base-Backbone interact. energy: 2.556
local terms energy: -716.567315
where:
bonds (distance) C4'-P energy: -141.393
bonds (distance) P-C4' energy: -139.364
flat angles C4'-P-C4' energy: -158.715
flat angles P-C4'-P energy: -94.252
tors. eta vs tors. theta energy: -182.843
Dist. restrs. and SS energy: 2.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -2050.124934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.124934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.142942 (E_RNA)
where:
Base-Base interactions energy: -1363.706
where: short stacking energy: -570.698
Base-Backbone interact. energy: -2.281
local terms energy: -686.155933
where:
bonds (distance) C4'-P energy: -131.615
bonds (distance) P-C4' energy: -146.466
flat angles C4'-P-C4' energy: -151.853
flat angles P-C4'-P energy: -92.860
tors. eta vs tors. theta energy: -163.363
Dist. restrs. and SS energy: 2.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -1901.101954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.101954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.851166 (E_RNA)
where:
Base-Base interactions energy: -1297.761
where: short stacking energy: -543.716
Base-Backbone interact. energy: -2.218
local terms energy: -603.872736
where:
bonds (distance) C4'-P energy: -149.315
bonds (distance) P-C4' energy: -130.997
flat angles C4'-P-C4' energy: -123.861
flat angles P-C4'-P energy: -65.274
tors. eta vs tors. theta energy: -134.427
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: 10, replica: 8
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -1793.593933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.593933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.462992 (E_RNA)
where:
Base-Base interactions energy: -1237.649
where: short stacking energy: -519.906
Base-Backbone interact. energy: -3.289
local terms energy: -567.525110
where:
bonds (distance) C4'-P energy: -98.361
bonds (distance) P-C4' energy: -136.508
flat angles C4'-P-C4' energy: -131.633
flat angles P-C4'-P energy: -81.636
tors. eta vs tors. theta energy: -119.387
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: 1, replica: 9
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -2938.025403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2938.025403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2939.278680 (E_RNA)
where:
Base-Base interactions energy: -2065.554
where: short stacking energy: -847.751
Base-Backbone interact. energy: -2.536
local terms energy: -871.188556
where:
bonds (distance) C4'-P energy: -171.706
bonds (distance) P-C4' energy: -164.705
flat angles C4'-P-C4' energy: -172.446
flat angles P-C4'-P energy: -117.212
tors. eta vs tors. theta energy: -245.120
Dist. restrs. and SS energy: 1.253 (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: 4
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -2660.976760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.976760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.899657 (E_RNA)
where:
Base-Base interactions energy: -1812.542
where: short stacking energy: -782.902
Base-Backbone interact. energy: -2.263
local terms energy: -848.094551
where:
bonds (distance) C4'-P energy: -151.132
bonds (distance) P-C4' energy: -159.572
flat angles C4'-P-C4' energy: -188.338
flat angles P-C4'-P energy: -128.520
tors. eta vs tors. theta energy: -220.532
Dist. restrs. and SS energy: 1.923 (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: 89
Temperature: 1.000000
Total energy: -2579.849369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.849369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.826421 (E_RNA)
where:
Base-Base interactions energy: -1778.566
where: short stacking energy: -732.942
Base-Backbone interact. energy: 1.190
local terms energy: -804.450128
where:
bonds (distance) C4'-P energy: -163.112
bonds (distance) P-C4' energy: -137.972
flat angles C4'-P-C4' energy: -170.938
flat angles P-C4'-P energy: -123.852
tors. eta vs tors. theta energy: -208.577
Dist. restrs. and SS energy: 1.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -2438.706049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.706049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.366461 (E_RNA)
where:
Base-Base interactions energy: -1649.937
where: short stacking energy: -738.189
Base-Backbone interact. energy: -3.528
local terms energy: -787.902088
where:
bonds (distance) C4'-P energy: -149.318
bonds (distance) P-C4' energy: -165.438
flat angles C4'-P-C4' energy: -168.304
flat angles P-C4'-P energy: -91.519
tors. eta vs tors. theta energy: -213.323
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: 5, replica: 1
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -2299.761937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.761937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.329928 (E_RNA)
where:
Base-Base interactions energy: -1560.458
where: short stacking energy: -686.248
Base-Backbone interact. energy: 0.143
local terms energy: -741.014693
where:
bonds (distance) C4'-P energy: -138.688
bonds (distance) P-C4' energy: -137.917
flat angles C4'-P-C4' energy: -154.475
flat angles P-C4'-P energy: -112.064
tors. eta vs tors. theta energy: -197.871
Dist. restrs. and SS energy: 1.568 (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: 3
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -2257.301185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.301185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.131205 (E_RNA)
where:
Base-Base interactions energy: -1527.454
where: short stacking energy: -683.438
Base-Backbone interact. energy: 0.006
local terms energy: -731.683281
where:
bonds (distance) C4'-P energy: -140.912
bonds (distance) P-C4' energy: -143.895
flat angles C4'-P-C4' energy: -151.630
flat angles P-C4'-P energy: -101.666
tors. eta vs tors. theta energy: -193.581
Dist. restrs. and SS energy: 1.830 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -2161.335005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.335005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.207832 (E_RNA)
where:
Base-Base interactions energy: -1449.332
where: short stacking energy: -631.984
Base-Backbone interact. energy: -4.617
local terms energy: -709.258827
where:
bonds (distance) C4'-P energy: -131.791
bonds (distance) P-C4' energy: -136.483
flat angles C4'-P-C4' energy: -150.896
flat angles P-C4'-P energy: -109.033
tors. eta vs tors. theta energy: -181.056
Dist. restrs. and SS energy: 1.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -2001.184669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.184669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.080558 (E_RNA)
where:
Base-Base interactions energy: -1333.223
where: short stacking energy: -595.405
Base-Backbone interact. energy: 1.578
local terms energy: -672.435912
where:
bonds (distance) C4'-P energy: -119.428
bonds (distance) P-C4' energy: -153.690
flat angles C4'-P-C4' energy: -147.234
flat angles P-C4'-P energy: -99.050
tors. eta vs tors. theta energy: -153.034
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: 9, replica: 2
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -1911.674099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.674099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.411180 (E_RNA)
where:
Base-Base interactions energy: -1335.074
where: short stacking energy: -586.420
Base-Backbone interact. energy: 4.863
local terms energy: -586.199866
where:
bonds (distance) C4'-P energy: -106.762
bonds (distance) P-C4' energy: -121.771
flat angles C4'-P-C4' energy: -138.545
flat angles P-C4'-P energy: -79.365
tors. eta vs tors. theta energy: -139.757
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: 10, replica: 8
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -1794.271602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.271602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.998248 (E_RNA)
where:
Base-Base interactions energy: -1177.229
where: short stacking energy: -475.354
Base-Backbone interact. energy: -3.344
local terms energy: -617.425514
where:
bonds (distance) C4'-P energy: -133.489
bonds (distance) P-C4' energy: -137.353
flat angles C4'-P-C4' energy: -148.451
flat angles P-C4'-P energy: -86.474
tors. eta vs tors. theta energy: -111.659
Dist. restrs. and SS energy: 3.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -2949.636453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2949.636453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2952.563584 (E_RNA)
where:
Base-Base interactions energy: -2059.417
where: short stacking energy: -835.278
Base-Backbone interact. energy: 1.977
local terms energy: -895.123069
where:
bonds (distance) C4'-P energy: -172.955
bonds (distance) P-C4' energy: -150.348
flat angles C4'-P-C4' energy: -197.154
flat angles P-C4'-P energy: -133.608
tors. eta vs tors. theta energy: -241.058
Dist. restrs. and SS energy: 2.927 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -2640.944380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.944380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.290763 (E_RNA)
where:
Base-Base interactions energy: -1817.490
where: short stacking energy: -751.567
Base-Backbone interact. energy: -3.680
local terms energy: -821.121125
where:
bonds (distance) C4'-P energy: -142.870
bonds (distance) P-C4' energy: -158.725
flat angles C4'-P-C4' energy: -177.368
flat angles P-C4'-P energy: -128.613
tors. eta vs tors. theta energy: -213.545
Dist. restrs. and SS energy: 1.346 (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: 90
Temperature: 1.000000
Total energy: -2593.395769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.395769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.944024 (E_RNA)
where:
Base-Base interactions energy: -1761.762
where: short stacking energy: -762.342
Base-Backbone interact. energy: -4.291
local terms energy: -829.891836
where:
bonds (distance) C4'-P energy: -144.939
bonds (distance) P-C4' energy: -156.562
flat angles C4'-P-C4' energy: -183.155
flat angles P-C4'-P energy: -112.086
tors. eta vs tors. theta energy: -233.151
Dist. restrs. and SS energy: 2.548 (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: 6
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -2403.588308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.588308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.358556 (E_RNA)
where:
Base-Base interactions energy: -1673.441
where: short stacking energy: -722.124
Base-Backbone interact. energy: 4.972
local terms energy: -736.889730
where:
bonds (distance) C4'-P energy: -126.629
bonds (distance) P-C4' energy: -136.241
flat angles C4'-P-C4' energy: -164.165
flat angles P-C4'-P energy: -106.994
tors. eta vs tors. theta energy: -202.860
Dist. restrs. and SS energy: 1.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -2300.098272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.098272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.414904 (E_RNA)
where:
Base-Base interactions energy: -1567.906
where: short stacking energy: -691.591
Base-Backbone interact. energy: 2.965
local terms energy: -738.473972
where:
bonds (distance) C4'-P energy: -133.566
bonds (distance) P-C4' energy: -127.174
flat angles C4'-P-C4' energy: -171.877
flat angles P-C4'-P energy: -107.348
tors. eta vs tors. theta energy: -198.509
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: 6, replica: 3
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -2265.682577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.682577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.500047 (E_RNA)
where:
Base-Base interactions energy: -1530.423
where: short stacking energy: -669.871
Base-Backbone interact. energy: 2.561
local terms energy: -739.637643
where:
bonds (distance) C4'-P energy: -134.720
bonds (distance) P-C4' energy: -136.802
flat angles C4'-P-C4' energy: -155.132
flat angles P-C4'-P energy: -108.396
tors. eta vs tors. theta energy: -204.587
Dist. restrs. and SS energy: 1.817 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -2112.027631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.027631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.831195 (E_RNA)
where:
Base-Base interactions energy: -1427.249
where: short stacking energy: -632.306
Base-Backbone interact. energy: -0.195
local terms energy: -686.386660
where:
bonds (distance) C4'-P energy: -131.165
bonds (distance) P-C4' energy: -143.579
flat angles C4'-P-C4' energy: -157.746
flat angles P-C4'-P energy: -77.888
tors. eta vs tors. theta energy: -176.008
Dist. restrs. and SS energy: 1.804 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -2003.866379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.866379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.499061 (E_RNA)
where:
Base-Base interactions energy: -1345.427
where: short stacking energy: -576.228
Base-Backbone interact. energy: 0.817
local terms energy: -661.889224
where:
bonds (distance) C4'-P energy: -125.121
bonds (distance) P-C4' energy: -145.345
flat angles C4'-P-C4' energy: -153.540
flat angles P-C4'-P energy: -88.508
tors. eta vs tors. theta energy: -149.376
Dist. restrs. and SS energy: 2.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -1991.584680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.584680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.143203 (E_RNA)
where:
Base-Base interactions energy: -1341.751
where: short stacking energy: -561.721
Base-Backbone interact. energy: -0.699
local terms energy: -651.693915
where:
bonds (distance) C4'-P energy: -128.000
bonds (distance) P-C4' energy: -134.336
flat angles C4'-P-C4' energy: -155.760
flat angles P-C4'-P energy: -83.981
tors. eta vs tors. theta energy: -149.616
Dist. restrs. and SS energy: 2.559 (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: 8
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -1873.556400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.556400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.355541 (E_RNA)
where:
Base-Base interactions energy: -1287.070
where: short stacking energy: -532.733
Base-Backbone interact. energy: -2.511
local terms energy: -586.774362
where:
bonds (distance) C4'-P energy: -114.008
bonds (distance) P-C4' energy: -136.965
flat angles C4'-P-C4' energy: -145.335
flat angles P-C4'-P energy: -70.124
tors. eta vs tors. theta energy: -120.342
Dist. restrs. and SS energy: 2.799 (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: 9
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -2925.165881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2925.165881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2927.005899 (E_RNA)
where:
Base-Base interactions energy: -2033.806
where: short stacking energy: -846.508
Base-Backbone interact. energy: -0.686
local terms energy: -892.513634
where:
bonds (distance) C4'-P energy: -165.769
bonds (distance) P-C4' energy: -152.822
flat angles C4'-P-C4' energy: -193.083
flat angles P-C4'-P energy: -125.751
tors. eta vs tors. theta energy: -255.089
Dist. restrs. and SS energy: 1.840 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -2631.580148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.580148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.988288 (E_RNA)
where:
Base-Base interactions energy: -1819.986
where: short stacking energy: -766.873
Base-Backbone interact. energy: -3.221
local terms energy: -809.781160
where:
bonds (distance) C4'-P energy: -151.681
bonds (distance) P-C4' energy: -148.622
flat angles C4'-P-C4' energy: -175.561
flat angles P-C4'-P energy: -117.659
tors. eta vs tors. theta energy: -216.258
Dist. restrs. and SS energy: 1.408 (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: 7
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -2620.327379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.327379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.773835 (E_RNA)
where:
Base-Base interactions energy: -1802.299
where: short stacking energy: -778.155
Base-Backbone interact. energy: 2.645
local terms energy: -823.119781
where:
bonds (distance) C4'-P energy: -157.294
bonds (distance) P-C4' energy: -148.445
flat angles C4'-P-C4' energy: -179.334
flat angles P-C4'-P energy: -112.229
tors. eta vs tors. theta energy: -225.818
Dist. restrs. and SS energy: 2.446 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -2420.835727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.835727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.092689 (E_RNA)
where:
Base-Base interactions energy: -1637.845
where: short stacking energy: -706.376
Base-Backbone interact. energy: -3.669
local terms energy: -781.578573
where:
bonds (distance) C4'-P energy: -147.400
bonds (distance) P-C4' energy: -150.614
flat angles C4'-P-C4' energy: -176.931
flat angles P-C4'-P energy: -104.763
tors. eta vs tors. theta energy: -201.871
Dist. restrs. and SS energy: 2.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -2236.736141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.736141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.890535 (E_RNA)
where:
Base-Base interactions energy: -1501.030
where: short stacking energy: -661.909
Base-Backbone interact. energy: 1.264
local terms energy: -739.124717
where:
bonds (distance) C4'-P energy: -143.228
bonds (distance) P-C4' energy: -145.377
flat angles C4'-P-C4' energy: -167.659
flat angles P-C4'-P energy: -96.132
tors. eta vs tors. theta energy: -186.730
Dist. restrs. and SS energy: 2.154 (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: 5
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -2174.337444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.337444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.423786 (E_RNA)
where:
Base-Base interactions energy: -1474.549
where: short stacking energy: -626.567
Base-Backbone interact. energy: -0.593
local terms energy: -701.281141
where:
bonds (distance) C4'-P energy: -138.727
bonds (distance) P-C4' energy: -147.833
flat angles C4'-P-C4' energy: -151.292
flat angles P-C4'-P energy: -100.424
tors. eta vs tors. theta energy: -163.005
Dist. restrs. and SS energy: 2.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -2099.274406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.274406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.844557 (E_RNA)
where:
Base-Base interactions energy: -1411.497
where: short stacking energy: -609.971
Base-Backbone interact. energy: -3.054
local terms energy: -687.293503
where:
bonds (distance) C4'-P energy: -131.877
bonds (distance) P-C4' energy: -126.352
flat angles C4'-P-C4' energy: -150.982
flat angles P-C4'-P energy: -110.507
tors. eta vs tors. theta energy: -167.575
Dist. restrs. and SS energy: 2.570 (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: 10
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -2042.797892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.797892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.347059 (E_RNA)
where:
Base-Base interactions energy: -1406.755
where: short stacking energy: -607.292
Base-Backbone interact. energy: 1.321
local terms energy: -639.912774
where:
bonds (distance) C4'-P energy: -115.123
bonds (distance) P-C4' energy: -135.467
flat angles C4'-P-C4' energy: -147.323
flat angles P-C4'-P energy: -84.172
tors. eta vs tors. theta energy: -157.827
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: 9, replica: 2
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -1919.823234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.823234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.716454 (E_RNA)
where:
Base-Base interactions energy: -1290.797
where: short stacking energy: -523.259
Base-Backbone interact. energy: -1.409
local terms energy: -630.510747
where:
bonds (distance) C4'-P energy: -118.201
bonds (distance) P-C4' energy: -121.953
flat angles C4'-P-C4' energy: -161.988
flat angles P-C4'-P energy: -88.461
tors. eta vs tors. theta energy: -139.909
Dist. restrs. and SS energy: 2.893 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -1863.110846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.110846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.813969 (E_RNA)
where:
Base-Base interactions energy: -1265.128
where: short stacking energy: -492.677
Base-Backbone interact. energy: 4.922
local terms energy: -604.608053
where:
bonds (distance) C4'-P energy: -117.851
bonds (distance) P-C4' energy: -135.822
flat angles C4'-P-C4' energy: -135.619
flat angles P-C4'-P energy: -88.735
tors. eta vs tors. theta energy: -126.581
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: 1, replica: 9
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -2986.295697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2986.295697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2988.749836 (E_RNA)
where:
Base-Base interactions energy: -2062.633
where: short stacking energy: -853.374
Base-Backbone interact. energy: -3.378
local terms energy: -922.739160
where:
bonds (distance) C4'-P energy: -174.892
bonds (distance) P-C4' energy: -164.430
flat angles C4'-P-C4' energy: -197.906
flat angles P-C4'-P energy: -120.659
tors. eta vs tors. theta energy: -264.852
Dist. restrs. and SS energy: 2.454 (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: 4
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -2658.323995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.323995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.431652 (E_RNA)
where:
Base-Base interactions energy: -1830.689
where: short stacking energy: -801.820
Base-Backbone interact. energy: -0.944
local terms energy: -827.798284
where:
bonds (distance) C4'-P energy: -154.987
bonds (distance) P-C4' energy: -149.276
flat angles C4'-P-C4' energy: -175.222
flat angles P-C4'-P energy: -122.501
tors. eta vs tors. theta energy: -225.812
Dist. restrs. and SS energy: 1.108 (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: 7
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -2607.870463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.870463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.975209 (E_RNA)
where:
Base-Base interactions energy: -1787.895
where: short stacking energy: -757.598
Base-Backbone interact. energy: 0.237
local terms energy: -822.317501
where:
bonds (distance) C4'-P energy: -154.476
bonds (distance) P-C4' energy: -150.816
flat angles C4'-P-C4' energy: -172.791
flat angles P-C4'-P energy: -123.924
tors. eta vs tors. theta energy: -220.311
Dist. restrs. and SS energy: 2.105 (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: 6
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -2443.774812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.774812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.552900 (E_RNA)
where:
Base-Base interactions energy: -1658.604
where: short stacking energy: -729.779
Base-Backbone interact. energy: -3.308
local terms energy: -783.641383
where:
bonds (distance) C4'-P energy: -146.893
bonds (distance) P-C4' energy: -142.701
flat angles C4'-P-C4' energy: -172.469
flat angles P-C4'-P energy: -108.334
tors. eta vs tors. theta energy: -213.245
Dist. restrs. and SS energy: 1.778 (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: 1
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -2239.820150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.820150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.640606 (E_RNA)
where:
Base-Base interactions energy: -1500.285
where: short stacking energy: -661.134
Base-Backbone interact. energy: 0.135
local terms energy: -742.490689
where:
bonds (distance) C4'-P energy: -139.054
bonds (distance) P-C4' energy: -150.776
flat angles C4'-P-C4' energy: -167.846
flat angles P-C4'-P energy: -95.974
tors. eta vs tors. theta energy: -188.840
Dist. restrs. and SS energy: 2.820 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -2175.957940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.957940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.599357 (E_RNA)
where:
Base-Base interactions energy: -1465.067
where: short stacking energy: -602.489
Base-Backbone interact. energy: 0.242
local terms energy: -712.774330
where:
bonds (distance) C4'-P energy: -147.961
bonds (distance) P-C4' energy: -151.146
flat angles C4'-P-C4' energy: -140.388
flat angles P-C4'-P energy: -104.278
tors. eta vs tors. theta energy: -169.001
Dist. restrs. and SS energy: 1.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -2107.582462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.582462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.098784 (E_RNA)
where:
Base-Base interactions energy: -1445.854
where: short stacking energy: -625.332
Base-Backbone interact. energy: -3.081
local terms energy: -661.164144
where:
bonds (distance) C4'-P energy: -130.210
bonds (distance) P-C4' energy: -131.882
flat angles C4'-P-C4' energy: -142.591
flat angles P-C4'-P energy: -105.013
tors. eta vs tors. theta energy: -151.467
Dist. restrs. and SS energy: 2.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -2030.293010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.293010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.543757 (E_RNA)
where:
Base-Base interactions energy: -1392.206
where: short stacking energy: -569.536
Base-Backbone interact. energy: 0.607
local terms energy: -641.944473
where:
bonds (distance) C4'-P energy: -139.372
bonds (distance) P-C4' energy: -128.192
flat angles C4'-P-C4' energy: -138.815
flat angles P-C4'-P energy: -105.567
tors. eta vs tors. theta energy: -129.999
Dist. restrs. and SS energy: 3.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -1974.396968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.396968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.806711 (E_RNA)
where:
Base-Base interactions energy: -1355.807
where: short stacking energy: -562.225
Base-Backbone interact. energy: -4.972
local terms energy: -616.027682
where:
bonds (distance) C4'-P energy: -114.302
bonds (distance) P-C4' energy: -107.147
flat angles C4'-P-C4' energy: -147.811
flat angles P-C4'-P energy: -91.523
tors. eta vs tors. theta energy: -155.245
Dist. restrs. and SS energy: 2.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -1854.281900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.281900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.951075 (E_RNA)
where:
Base-Base interactions energy: -1255.553
where: short stacking energy: -522.158
Base-Backbone interact. energy: 2.904
local terms energy: -605.302088
where:
bonds (distance) C4'-P energy: -135.560
bonds (distance) P-C4' energy: -131.362
flat angles C4'-P-C4' energy: -150.155
flat angles P-C4'-P energy: -75.685
tors. eta vs tors. theta energy: -112.540
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: 1, replica: 9
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -2963.247739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2963.247739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2965.537648 (E_RNA)
where:
Base-Base interactions energy: -2054.508
where: short stacking energy: -866.330
Base-Backbone interact. energy: -5.526
local terms energy: -905.503614
where:
bonds (distance) C4'-P energy: -165.271
bonds (distance) P-C4' energy: -160.358
flat angles C4'-P-C4' energy: -187.643
flat angles P-C4'-P energy: -139.726
tors. eta vs tors. theta energy: -252.506
Dist. restrs. and SS energy: 2.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -2655.314009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.314009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.960206 (E_RNA)
where:
Base-Base interactions energy: -1832.086
where: short stacking energy: -754.060
Base-Backbone interact. energy: -2.085
local terms energy: -822.789441
where:
bonds (distance) C4'-P energy: -157.373
bonds (distance) P-C4' energy: -167.445
flat angles C4'-P-C4' energy: -177.443
flat angles P-C4'-P energy: -107.528
tors. eta vs tors. theta energy: -213.001
Dist. restrs. and SS energy: 1.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -2560.666013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.666013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.974541 (E_RNA)
where:
Base-Base interactions energy: -1765.006
where: short stacking energy: -746.973
Base-Backbone interact. energy: -2.969
local terms energy: -794.999249
where:
bonds (distance) C4'-P energy: -154.594
bonds (distance) P-C4' energy: -160.923
flat angles C4'-P-C4' energy: -170.201
flat angles P-C4'-P energy: -99.500
tors. eta vs tors. theta energy: -209.782
Dist. restrs. and SS energy: 2.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -2457.647418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.647418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.806799 (E_RNA)
where:
Base-Base interactions energy: -1673.518
where: short stacking energy: -738.787
Base-Backbone interact. energy: -2.264
local terms energy: -783.024051
where:
bonds (distance) C4'-P energy: -143.345
bonds (distance) P-C4' energy: -144.970
flat angles C4'-P-C4' energy: -163.455
flat angles P-C4'-P energy: -121.476
tors. eta vs tors. theta energy: -209.778
Dist. restrs. and SS energy: 1.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -2263.846980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.846980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.877291 (E_RNA)
where:
Base-Base interactions energy: -1519.627
where: short stacking energy: -687.026
Base-Backbone interact. energy: -1.325
local terms energy: -744.926063
where:
bonds (distance) C4'-P energy: -127.333
bonds (distance) P-C4' energy: -142.660
flat angles C4'-P-C4' energy: -174.854
flat angles P-C4'-P energy: -113.251
tors. eta vs tors. theta energy: -186.827
Dist. restrs. and SS energy: 2.030 (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: 3
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -2187.607691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.607691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.324132 (E_RNA)
where:
Base-Base interactions energy: -1472.479
where: short stacking energy: -635.458
Base-Backbone interact. energy: -2.366
local terms energy: -714.479934
where:
bonds (distance) C4'-P energy: -130.392
bonds (distance) P-C4' energy: -132.526
flat angles C4'-P-C4' energy: -156.926
flat angles P-C4'-P energy: -114.989
tors. eta vs tors. theta energy: -179.647
Dist. restrs. and SS energy: 1.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -2103.567806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.567806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.143133 (E_RNA)
where:
Base-Base interactions energy: -1396.132
where: short stacking energy: -607.003
Base-Backbone interact. energy: -0.137
local terms energy: -709.874397
where:
bonds (distance) C4'-P energy: -135.844
bonds (distance) P-C4' energy: -140.054
flat angles C4'-P-C4' energy: -156.078
flat angles P-C4'-P energy: -98.752
tors. eta vs tors. theta energy: -179.146
Dist. restrs. and SS energy: 2.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -2026.920312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.920312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.778434 (E_RNA)
where:
Base-Base interactions energy: -1363.040
where: short stacking energy: -586.251
Base-Backbone interact. energy: 5.122
local terms energy: -671.860573
where:
bonds (distance) C4'-P energy: -135.045
bonds (distance) P-C4' energy: -147.355
flat angles C4'-P-C4' energy: -139.776
flat angles P-C4'-P energy: -100.002
tors. eta vs tors. theta energy: -149.682
Dist. restrs. and SS energy: 2.858 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -1944.315492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.315492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.826450 (E_RNA)
where:
Base-Base interactions energy: -1325.791
where: short stacking energy: -537.876
Base-Backbone interact. energy: -1.312
local terms energy: -621.723958
where:
bonds (distance) C4'-P energy: -110.316
bonds (distance) P-C4' energy: -130.031
flat angles C4'-P-C4' energy: -148.612
flat angles P-C4'-P energy: -88.134
tors. eta vs tors. theta energy: -144.631
Dist. restrs. and SS energy: 4.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -1877.186070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.186070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.344461 (E_RNA)
where:
Base-Base interactions energy: -1263.328
where: short stacking energy: -527.940
Base-Backbone interact. energy: 1.702
local terms energy: -618.718838
where:
bonds (distance) C4'-P energy: -114.328
bonds (distance) P-C4' energy: -119.513
flat angles C4'-P-C4' energy: -149.410
flat angles P-C4'-P energy: -94.965
tors. eta vs tors. theta energy: -140.503
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: 1, replica: 9
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -2962.182009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2962.182009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2964.302708 (E_RNA)
where:
Base-Base interactions energy: -2052.540
where: short stacking energy: -831.409
Base-Backbone interact. energy: -6.126
local terms energy: -905.636512
where:
bonds (distance) C4'-P energy: -169.367
bonds (distance) P-C4' energy: -158.095
flat angles C4'-P-C4' energy: -196.638
flat angles P-C4'-P energy: -126.586
tors. eta vs tors. theta energy: -254.951
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: 2, replica: 4
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -2679.767801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.767801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.064175 (E_RNA)
where:
Base-Base interactions energy: -1861.199
where: short stacking energy: -776.137
Base-Backbone interact. energy: 0.525
local terms energy: -821.389823
where:
bonds (distance) C4'-P energy: -138.292
bonds (distance) P-C4' energy: -171.495
flat angles C4'-P-C4' energy: -184.428
flat angles P-C4'-P energy: -108.375
tors. eta vs tors. theta energy: -218.799
Dist. restrs. and SS energy: 2.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -2575.387832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.387832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.524754 (E_RNA)
where:
Base-Base interactions energy: -1769.778
where: short stacking energy: -732.269
Base-Backbone interact. energy: -3.624
local terms energy: -803.122161
where:
bonds (distance) C4'-P energy: -141.533
bonds (distance) P-C4' energy: -162.580
flat angles C4'-P-C4' energy: -174.690
flat angles P-C4'-P energy: -113.402
tors. eta vs tors. theta energy: -210.917
Dist. restrs. and SS energy: 1.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -2440.525348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.525348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.874262 (E_RNA)
where:
Base-Base interactions energy: -1651.106
where: short stacking energy: -755.829
Base-Backbone interact. energy: -1.096
local terms energy: -791.672105
where:
bonds (distance) C4'-P energy: -144.858
bonds (distance) P-C4' energy: -138.332
flat angles C4'-P-C4' energy: -184.861
flat angles P-C4'-P energy: -103.054
tors. eta vs tors. theta energy: -220.567
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: 5, replica: 1
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -2313.761051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.761051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.553545 (E_RNA)
where:
Base-Base interactions energy: -1530.893
where: short stacking energy: -676.895
Base-Backbone interact. energy: -2.846
local terms energy: -782.814181
where:
bonds (distance) C4'-P energy: -146.583
bonds (distance) P-C4' energy: -137.659
flat angles C4'-P-C4' energy: -175.978
flat angles P-C4'-P energy: -127.527
tors. eta vs tors. theta energy: -195.068
Dist. restrs. and SS energy: 2.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -2235.393923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.393923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.886743 (E_RNA)
where:
Base-Base interactions energy: -1507.938
where: short stacking energy: -667.744
Base-Backbone interact. energy: -3.964
local terms energy: -725.984652
where:
bonds (distance) C4'-P energy: -132.157
bonds (distance) P-C4' energy: -140.744
flat angles C4'-P-C4' energy: -163.777
flat angles P-C4'-P energy: -90.340
tors. eta vs tors. theta energy: -198.967
Dist. restrs. and SS energy: 2.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -2127.064425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.064425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.569022 (E_RNA)
where:
Base-Base interactions energy: -1442.028
where: short stacking energy: -614.307
Base-Backbone interact. energy: -3.365
local terms energy: -684.176099
where:
bonds (distance) C4'-P energy: -131.318
bonds (distance) P-C4' energy: -138.117
flat angles C4'-P-C4' energy: -137.131
flat angles P-C4'-P energy: -101.169
tors. eta vs tors. theta energy: -176.441
Dist. restrs. and SS energy: 2.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -2059.923537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.923537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.932236 (E_RNA)
where:
Base-Base interactions energy: -1389.542
where: short stacking energy: -593.088
Base-Backbone interact. energy: -0.460
local terms energy: -671.929582
where:
bonds (distance) C4'-P energy: -132.621
bonds (distance) P-C4' energy: -125.540
flat angles C4'-P-C4' energy: -150.769
flat angles P-C4'-P energy: -104.429
tors. eta vs tors. theta energy: -158.570
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: 9, replica: 8
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -1926.776407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.776407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.947065 (E_RNA)
where:
Base-Base interactions energy: -1311.207
where: short stacking energy: -531.918
Base-Backbone interact. energy: 1.489
local terms energy: -620.228763
where:
bonds (distance) C4'-P energy: -140.215
bonds (distance) P-C4' energy: -122.303
flat angles C4'-P-C4' energy: -138.459
flat angles P-C4'-P energy: -90.040
tors. eta vs tors. theta energy: -129.213
Dist. restrs. and SS energy: 3.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -1851.309561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.309561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.960036 (E_RNA)
where:
Base-Base interactions energy: -1244.855
where: short stacking energy: -506.905
Base-Backbone interact. energy: -1.130
local terms energy: -608.974576
where:
bonds (distance) C4'-P energy: -130.119
bonds (distance) P-C4' energy: -151.382
flat angles C4'-P-C4' energy: -117.367
flat angles P-C4'-P energy: -73.337
tors. eta vs tors. theta energy: -136.769
Dist. restrs. and SS energy: 3.650 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -2972.540246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2972.540246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2974.149668 (E_RNA)
where:
Base-Base interactions energy: -2082.433
where: short stacking energy: -867.395
Base-Backbone interact. energy: -1.129
local terms energy: -890.587281
where:
bonds (distance) C4'-P energy: -158.767
bonds (distance) P-C4' energy: -161.533
flat angles C4'-P-C4' energy: -189.594
flat angles P-C4'-P energy: -123.401
tors. eta vs tors. theta energy: -257.293
Dist. restrs. and SS energy: 1.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -2672.106813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.106813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.287305 (E_RNA)
where:
Base-Base interactions energy: -1852.524
where: short stacking energy: -760.052
Base-Backbone interact. energy: 4.739
local terms energy: -826.502112
where:
bonds (distance) C4'-P energy: -167.613
bonds (distance) P-C4' energy: -151.901
flat angles C4'-P-C4' energy: -179.128
flat angles P-C4'-P energy: -121.563
tors. eta vs tors. theta energy: -206.297
Dist. restrs. and SS energy: 2.180 (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: 7
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -2596.933030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.933030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.528349 (E_RNA)
where:
Base-Base interactions energy: -1784.020
where: short stacking energy: -771.118
Base-Backbone interact. energy: 0.092
local terms energy: -814.600173
where:
bonds (distance) C4'-P energy: -152.689
bonds (distance) P-C4' energy: -148.131
flat angles C4'-P-C4' energy: -173.546
flat angles P-C4'-P energy: -126.370
tors. eta vs tors. theta energy: -213.865
Dist. restrs. and SS energy: 1.595 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -2430.444182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.444182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.896331 (E_RNA)
where:
Base-Base interactions energy: -1621.571
where: short stacking energy: -728.146
Base-Backbone interact. energy: -2.637
local terms energy: -808.687755
where:
bonds (distance) C4'-P energy: -137.716
bonds (distance) P-C4' energy: -153.157
flat angles C4'-P-C4' energy: -184.100
flat angles P-C4'-P energy: -125.366
tors. eta vs tors. theta energy: -208.348
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: 5, replica: 1
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -2294.306701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.306701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.715110 (E_RNA)
where:
Base-Base interactions energy: -1554.378
where: short stacking energy: -658.456
Base-Backbone interact. energy: 0.292
local terms energy: -741.629835
where:
bonds (distance) C4'-P energy: -144.769
bonds (distance) P-C4' energy: -158.718
flat angles C4'-P-C4' energy: -159.433
flat angles P-C4'-P energy: -97.412
tors. eta vs tors. theta energy: -181.297
Dist. restrs. and SS energy: 1.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -2164.325937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.325937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.748850 (E_RNA)
where:
Base-Base interactions energy: -1459.326
where: short stacking energy: -636.317
Base-Backbone interact. energy: 5.279
local terms energy: -712.702096
where:
bonds (distance) C4'-P energy: -136.594
bonds (distance) P-C4' energy: -134.905
flat angles C4'-P-C4' energy: -164.419
flat angles P-C4'-P energy: -98.560
tors. eta vs tors. theta energy: -178.224
Dist. restrs. and SS energy: 2.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -2065.894232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.894232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.474328 (E_RNA)
where:
Base-Base interactions energy: -1392.101
where: short stacking energy: -603.446
Base-Backbone interact. energy: 3.156
local terms energy: -679.529149
where:
bonds (distance) C4'-P energy: -128.281
bonds (distance) P-C4' energy: -138.528
flat angles C4'-P-C4' energy: -151.486
flat angles P-C4'-P energy: -91.150
tors. eta vs tors. theta energy: -170.085
Dist. restrs. and SS energy: 2.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -2010.708120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.708120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.210454 (E_RNA)
where:
Base-Base interactions energy: -1364.192
where: short stacking energy: -579.348
Base-Backbone interact. energy: -3.968
local terms energy: -645.050166
where:
bonds (distance) C4'-P energy: -117.526
bonds (distance) P-C4' energy: -126.761
flat angles C4'-P-C4' energy: -144.965
flat angles P-C4'-P energy: -103.096
tors. eta vs tors. theta energy: -152.702
Dist. restrs. and SS energy: 2.502 (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: 8
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -1917.267285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.267285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.564501 (E_RNA)
where:
Base-Base interactions energy: -1290.302
where: short stacking energy: -547.496
Base-Backbone interact. energy: 3.028
local terms energy: -633.290662
where:
bonds (distance) C4'-P energy: -115.298
bonds (distance) P-C4' energy: -147.545
flat angles C4'-P-C4' energy: -133.589
flat angles P-C4'-P energy: -108.166
tors. eta vs tors. theta energy: -128.693
Dist. restrs. and SS energy: 3.297 (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: 2
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -1785.441303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.441303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.399862 (E_RNA)
where:
Base-Base interactions energy: -1228.477
where: short stacking energy: -500.588
Base-Backbone interact. energy: 0.332
local terms energy: -565.255387
where:
bonds (distance) C4'-P energy: -117.159
bonds (distance) P-C4' energy: -120.459
flat angles C4'-P-C4' energy: -139.777
flat angles P-C4'-P energy: -82.102
tors. eta vs tors. theta energy: -105.760
Dist. restrs. and SS energy: 7.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -2985.248697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2985.248697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2986.330807 (E_RNA)
where:
Base-Base interactions energy: -2105.444
where: short stacking energy: -875.520
Base-Backbone interact. energy: 1.095
local terms energy: -881.981948
where:
bonds (distance) C4'-P energy: -162.591
bonds (distance) P-C4' energy: -162.559
flat angles C4'-P-C4' energy: -183.881
flat angles P-C4'-P energy: -122.614
tors. eta vs tors. theta energy: -250.338
Dist. restrs. and SS energy: 1.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -2722.512594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.512594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.949103 (E_RNA)
where:
Base-Base interactions energy: -1875.970
where: short stacking energy: -782.131
Base-Backbone interact. energy: 0.215
local terms energy: -848.194190
where:
bonds (distance) C4'-P energy: -151.967
bonds (distance) P-C4' energy: -162.920
flat angles C4'-P-C4' energy: -169.611
flat angles P-C4'-P energy: -131.836
tors. eta vs tors. theta energy: -231.859
Dist. restrs. and SS energy: 1.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -2591.317961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.317961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.715584 (E_RNA)
where:
Base-Base interactions energy: -1806.627
where: short stacking energy: -759.683
Base-Backbone interact. energy: 2.946
local terms energy: -789.035182
where:
bonds (distance) C4'-P energy: -143.261
bonds (distance) P-C4' energy: -141.782
flat angles C4'-P-C4' energy: -174.061
flat angles P-C4'-P energy: -116.446
tors. eta vs tors. theta energy: -213.484
Dist. restrs. and SS energy: 1.398 (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: 6
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -2426.747369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.747369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.236184 (E_RNA)
where:
Base-Base interactions energy: -1639.589
where: short stacking energy: -706.818
Base-Backbone interact. energy: -1.628
local terms energy: -789.019356
where:
bonds (distance) C4'-P energy: -147.291
bonds (distance) P-C4' energy: -162.199
flat angles C4'-P-C4' energy: -172.400
flat angles P-C4'-P energy: -110.772
tors. eta vs tors. theta energy: -196.357
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: 5, replica: 1
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -2313.734090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.734090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.937946 (E_RNA)
where:
Base-Base interactions energy: -1572.057
where: short stacking energy: -681.834
Base-Backbone interact. energy: 3.025
local terms energy: -745.905935
where:
bonds (distance) C4'-P energy: -146.611
bonds (distance) P-C4' energy: -134.397
flat angles C4'-P-C4' energy: -162.638
flat angles P-C4'-P energy: -113.171
tors. eta vs tors. theta energy: -189.089
Dist. restrs. and SS energy: 1.204 (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: 3
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -2218.393225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.393225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.013944 (E_RNA)
where:
Base-Base interactions energy: -1488.438
where: short stacking energy: -641.599
Base-Backbone interact. energy: -1.743
local terms energy: -729.832388
where:
bonds (distance) C4'-P energy: -132.662
bonds (distance) P-C4' energy: -140.216
flat angles C4'-P-C4' energy: -169.313
flat angles P-C4'-P energy: -107.483
tors. eta vs tors. theta energy: -180.158
Dist. restrs. and SS energy: 1.621 (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: 10
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -2077.865251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.865251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.270121 (E_RNA)
where:
Base-Base interactions energy: -1416.605
where: short stacking energy: -615.780
Base-Backbone interact. energy: 0.493
local terms energy: -664.158094
where:
bonds (distance) C4'-P energy: -136.565
bonds (distance) P-C4' energy: -130.409
flat angles C4'-P-C4' energy: -143.714
flat angles P-C4'-P energy: -105.780
tors. eta vs tors. theta energy: -147.689
Dist. restrs. and SS energy: 2.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -2010.907482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.907482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.959173 (E_RNA)
where:
Base-Base interactions energy: -1379.902
where: short stacking energy: -569.718
Base-Backbone interact. energy: -1.087
local terms energy: -631.970588
where:
bonds (distance) C4'-P energy: -125.452
bonds (distance) P-C4' energy: -131.117
flat angles C4'-P-C4' energy: -125.238
flat angles P-C4'-P energy: -95.588
tors. eta vs tors. theta energy: -154.576
Dist. restrs. and SS energy: 2.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -1978.350722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.350722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.854925 (E_RNA)
where:
Base-Base interactions energy: -1343.392
where: short stacking energy: -569.125
Base-Backbone interact. energy: -1.102
local terms energy: -637.361660
where:
bonds (distance) C4'-P energy: -119.294
bonds (distance) P-C4' energy: -124.466
flat angles C4'-P-C4' energy: -152.205
flat angles P-C4'-P energy: -85.483
tors. eta vs tors. theta energy: -155.913
Dist. restrs. and SS energy: 3.504 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -1844.020150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.020150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.832415 (E_RNA)
where:
Base-Base interactions energy: -1267.684
where: short stacking energy: -502.849
Base-Backbone interact. energy: 3.533
local terms energy: -584.681464
where:
bonds (distance) C4'-P energy: -112.111
bonds (distance) P-C4' energy: -128.756
flat angles C4'-P-C4' energy: -145.124
flat angles P-C4'-P energy: -83.558
tors. eta vs tors. theta energy: -115.132
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: 1, replica: 9
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -2968.638307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2968.638307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2970.544924 (E_RNA)
where:
Base-Base interactions energy: -2088.608
where: short stacking energy: -852.507
Base-Backbone interact. energy: -2.169
local terms energy: -879.768612
where:
bonds (distance) C4'-P energy: -168.756
bonds (distance) P-C4' energy: -155.900
flat angles C4'-P-C4' energy: -177.189
flat angles P-C4'-P energy: -131.542
tors. eta vs tors. theta energy: -246.381
Dist. restrs. and SS energy: 1.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -2633.848671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.848671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.781114 (E_RNA)
where:
Base-Base interactions energy: -1807.496
where: short stacking energy: -763.921
Base-Backbone interact. energy: -0.065
local terms energy: -828.220022
where:
bonds (distance) C4'-P energy: -152.897
bonds (distance) P-C4' energy: -160.192
flat angles C4'-P-C4' energy: -190.132
flat angles P-C4'-P energy: -115.717
tors. eta vs tors. theta energy: -209.281
Dist. restrs. and SS energy: 1.932 (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: 4
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -2600.821616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.821616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.550641 (E_RNA)
where:
Base-Base interactions energy: -1820.755
where: short stacking energy: -746.713
Base-Backbone interact. energy: -1.462
local terms energy: -780.333167
where:
bonds (distance) C4'-P energy: -144.847
bonds (distance) P-C4' energy: -151.550
flat angles C4'-P-C4' energy: -165.949
flat angles P-C4'-P energy: -112.026
tors. eta vs tors. theta energy: -205.961
Dist. restrs. and SS energy: 1.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -2476.352594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.352594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.066703 (E_RNA)
where:
Base-Base interactions energy: -1686.297
where: short stacking energy: -708.697
Base-Backbone interact. energy: 1.665
local terms energy: -795.434962
where:
bonds (distance) C4'-P energy: -161.413
bonds (distance) P-C4' energy: -136.895
flat angles C4'-P-C4' energy: -177.503
flat angles P-C4'-P energy: -120.379
tors. eta vs tors. theta energy: -199.244
Dist. restrs. and SS energy: 3.714 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -2292.232053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.232053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.609425 (E_RNA)
where:
Base-Base interactions energy: -1535.233
where: short stacking energy: -694.373
Base-Backbone interact. energy: -5.215
local terms energy: -753.161856
where:
bonds (distance) C4'-P energy: -120.511
bonds (distance) P-C4' energy: -157.928
flat angles C4'-P-C4' energy: -166.090
flat angles P-C4'-P energy: -108.201
tors. eta vs tors. theta energy: -200.432
Dist. restrs. and SS energy: 1.377 (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: 3
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -2189.004359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.004359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.484658 (E_RNA)
where:
Base-Base interactions energy: -1484.197
where: short stacking energy: -652.569
Base-Backbone interact. energy: -0.912
local terms energy: -705.375030
where:
bonds (distance) C4'-P energy: -134.522
bonds (distance) P-C4' energy: -133.143
flat angles C4'-P-C4' energy: -160.910
flat angles P-C4'-P energy: -93.399
tors. eta vs tors. theta energy: -183.401
Dist. restrs. and SS energy: 1.480 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -2098.547202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.547202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.185659 (E_RNA)
where:
Base-Base interactions energy: -1430.516
where: short stacking energy: -587.129
Base-Backbone interact. energy: 6.414
local terms energy: -677.083418
where:
bonds (distance) C4'-P energy: -145.447
bonds (distance) P-C4' energy: -160.807
flat angles C4'-P-C4' energy: -138.958
flat angles P-C4'-P energy: -86.279
tors. eta vs tors. theta energy: -145.592
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: 8, replica: 5
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -1977.319784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.319784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.739403 (E_RNA)
where:
Base-Base interactions energy: -1326.598
where: short stacking energy: -581.259
Base-Backbone interact. energy: -2.636
local terms energy: -653.504994
where:
bonds (distance) C4'-P energy: -122.685
bonds (distance) P-C4' energy: -122.626
flat angles C4'-P-C4' energy: -158.107
flat angles P-C4'-P energy: -96.542
tors. eta vs tors. theta energy: -153.546
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: 9, replica: 8
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -1946.224621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.224621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.997087 (E_RNA)
where:
Base-Base interactions energy: -1309.633
where: short stacking energy: -492.703
Base-Backbone interact. energy: -1.378
local terms energy: -639.985847
where:
bonds (distance) C4'-P energy: -131.206
bonds (distance) P-C4' energy: -141.383
flat angles C4'-P-C4' energy: -148.932
flat angles P-C4'-P energy: -75.221
tors. eta vs tors. theta energy: -143.244
Dist. restrs. and SS energy: 4.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -1857.452774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.452774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.035476 (E_RNA)
where:
Base-Base interactions energy: -1261.275
where: short stacking energy: -514.813
Base-Backbone interact. energy: -0.211
local terms energy: -598.550084
where:
bonds (distance) C4'-P energy: -109.050
bonds (distance) P-C4' energy: -126.172
flat angles C4'-P-C4' energy: -142.354
flat angles P-C4'-P energy: -85.412
tors. eta vs tors. theta energy: -135.561
Dist. restrs. and SS energy: 2.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -2987.447519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2987.447519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2988.401728 (E_RNA)
where:
Base-Base interactions energy: -2122.183
where: short stacking energy: -886.212
Base-Backbone interact. energy: 1.612
local terms energy: -867.830478
where:
bonds (distance) C4'-P energy: -155.899
bonds (distance) P-C4' energy: -147.197
flat angles C4'-P-C4' energy: -189.626
flat angles P-C4'-P energy: -123.508
tors. eta vs tors. theta energy: -251.601
Dist. restrs. and SS energy: 0.954 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -2662.402312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.402312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.269524 (E_RNA)
where:
Base-Base interactions energy: -1834.805
where: short stacking energy: -783.187
Base-Backbone interact. energy: -3.333
local terms energy: -826.131521
where:
bonds (distance) C4'-P energy: -146.145
bonds (distance) P-C4' energy: -154.499
flat angles C4'-P-C4' energy: -194.652
flat angles P-C4'-P energy: -102.307
tors. eta vs tors. theta energy: -228.529
Dist. restrs. and SS energy: 1.867 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -2638.832751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.832751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.875299 (E_RNA)
where:
Base-Base interactions energy: -1839.098
where: short stacking energy: -764.525
Base-Backbone interact. energy: -3.367
local terms energy: -798.410424
where:
bonds (distance) C4'-P energy: -133.179
bonds (distance) P-C4' energy: -156.510
flat angles C4'-P-C4' energy: -172.373
flat angles P-C4'-P energy: -111.107
tors. eta vs tors. theta energy: -225.242
Dist. restrs. and SS energy: 2.043 (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: 6
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -2493.293493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.293493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.737516 (E_RNA)
where:
Base-Base interactions energy: -1671.958
where: short stacking energy: -721.041
Base-Backbone interact. energy: -2.533
local terms energy: -821.246731
where:
bonds (distance) C4'-P energy: -160.610
bonds (distance) P-C4' energy: -146.466
flat angles C4'-P-C4' energy: -173.465
flat angles P-C4'-P energy: -121.556
tors. eta vs tors. theta energy: -219.149
Dist. restrs. and SS energy: 2.444 (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: 3
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -2244.740462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.740462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.447105 (E_RNA)
where:
Base-Base interactions energy: -1529.236
where: short stacking energy: -666.895
Base-Backbone interact. energy: -0.181
local terms energy: -717.029897
where:
bonds (distance) C4'-P energy: -128.897
bonds (distance) P-C4' energy: -136.627
flat angles C4'-P-C4' energy: -172.724
flat angles P-C4'-P energy: -94.978
tors. eta vs tors. theta energy: -183.804
Dist. restrs. and SS energy: 1.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -2240.917694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.917694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.723788 (E_RNA)
where:
Base-Base interactions energy: -1531.287
where: short stacking energy: -656.091
Base-Backbone interact. energy: -4.534
local terms energy: -706.902573
where:
bonds (distance) C4'-P energy: -125.233
bonds (distance) P-C4' energy: -143.218
flat angles C4'-P-C4' energy: -152.535
flat angles P-C4'-P energy: -106.014
tors. eta vs tors. theta energy: -179.904
Dist. restrs. and SS energy: 1.806 (S_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: 98
Temperature: 1.200000
Total energy: -2137.690027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.690027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.821794 (E_RNA)
where:
Base-Base interactions energy: -1457.182
where: short stacking energy: -606.136
Base-Backbone interact. energy: 4.372
local terms energy: -686.011615
where:
bonds (distance) C4'-P energy: -135.510
bonds (distance) P-C4' energy: -135.521
flat angles C4'-P-C4' energy: -149.817
flat angles P-C4'-P energy: -106.665
tors. eta vs tors. theta energy: -158.498
Dist. restrs. and SS energy: 1.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -2003.386167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.386167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.676388 (E_RNA)
where:
Base-Base interactions energy: -1390.764
where: short stacking energy: -583.517
Base-Backbone interact. energy: 4.304
local terms energy: -620.215665
where:
bonds (distance) C4'-P energy: -117.527
bonds (distance) P-C4' energy: -116.569
flat angles C4'-P-C4' energy: -144.603
flat angles P-C4'-P energy: -90.156
tors. eta vs tors. theta energy: -151.360
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: 9, replica: 8
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -1922.527017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.527017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.980934 (E_RNA)
where:
Base-Base interactions energy: -1345.548
where: short stacking energy: -565.832
Base-Backbone interact. energy: 4.179
local terms energy: -583.612261
where:
bonds (distance) C4'-P energy: -127.343
bonds (distance) P-C4' energy: -126.936
flat angles C4'-P-C4' energy: -135.207
flat angles P-C4'-P energy: -69.923
tors. eta vs tors. theta energy: -124.202
Dist. restrs. and SS energy: 2.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -1826.401117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.401117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.179402 (E_RNA)
where:
Base-Base interactions energy: -1239.636
where: short stacking energy: -490.444
Base-Backbone interact. energy: 1.009
local terms energy: -590.552811
where:
bonds (distance) C4'-P energy: -121.760
bonds (distance) P-C4' energy: -145.595
flat angles C4'-P-C4' energy: -123.916
flat angles P-C4'-P energy: -92.848
tors. eta vs tors. theta energy: -106.433
Dist. restrs. and SS energy: 2.778 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -2970.470425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2970.470425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2972.899512 (E_RNA)
where:
Base-Base interactions energy: -2087.991
where: short stacking energy: -890.254
Base-Backbone interact. energy: -0.026
local terms energy: -884.882990
where:
bonds (distance) C4'-P energy: -152.201
bonds (distance) P-C4' energy: -157.481
flat angles C4'-P-C4' energy: -177.241
flat angles P-C4'-P energy: -135.957
tors. eta vs tors. theta energy: -262.003
Dist. restrs. and SS energy: 2.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -2669.039382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.039382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.110070 (E_RNA)
where:
Base-Base interactions energy: -1832.984
where: short stacking energy: -791.185
Base-Backbone interact. energy: -4.266
local terms energy: -832.859165
where:
bonds (distance) C4'-P energy: -155.779
bonds (distance) P-C4' energy: -164.309
flat angles C4'-P-C4' energy: -176.775
flat angles P-C4'-P energy: -115.216
tors. eta vs tors. theta energy: -220.779
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: 4
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -2548.353963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.353963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.187161 (E_RNA)
where:
Base-Base interactions energy: -1719.601
where: short stacking energy: -713.927
Base-Backbone interact. energy: -3.933
local terms energy: -827.653226
where:
bonds (distance) C4'-P energy: -167.667
bonds (distance) P-C4' energy: -164.148
flat angles C4'-P-C4' energy: -167.959
flat angles P-C4'-P energy: -117.283
tors. eta vs tors. theta energy: -210.595
Dist. restrs. and SS energy: 2.833 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -2432.828703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.828703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.047845 (E_RNA)
where:
Base-Base interactions energy: -1663.963
where: short stacking energy: -711.259
Base-Backbone interact. energy: 1.726
local terms energy: -772.811328
where:
bonds (distance) C4'-P energy: -144.423
bonds (distance) P-C4' energy: -149.661
flat angles C4'-P-C4' energy: -172.219
flat angles P-C4'-P energy: -106.721
tors. eta vs tors. theta energy: -199.787
Dist. restrs. and SS energy: 2.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -2271.995391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.995391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.480690 (E_RNA)
where:
Base-Base interactions energy: -1528.773
where: short stacking energy: -684.223
Base-Backbone interact. energy: 1.856
local terms energy: -746.563015
where:
bonds (distance) C4'-P energy: -139.319
bonds (distance) P-C4' energy: -148.380
flat angles C4'-P-C4' energy: -155.822
flat angles P-C4'-P energy: -127.470
tors. eta vs tors. theta energy: -175.573
Dist. restrs. and SS energy: 1.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -2196.200760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.200760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.013233 (E_RNA)
where:
Base-Base interactions energy: -1483.155
where: short stacking energy: -678.350
Base-Backbone interact. energy: -1.033
local terms energy: -714.825868
where:
bonds (distance) C4'-P energy: -146.133
bonds (distance) P-C4' energy: -122.122
flat angles C4'-P-C4' energy: -146.432
flat angles P-C4'-P energy: -109.447
tors. eta vs tors. theta energy: -190.692
Dist. restrs. and SS energy: 2.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -2036.194328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.194328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.709981 (E_RNA)
where:
Base-Base interactions energy: -1344.631
where: short stacking energy: -578.269
Base-Backbone interact. energy: 0.743
local terms energy: -693.822772
where:
bonds (distance) C4'-P energy: -145.995
bonds (distance) P-C4' energy: -160.441
flat angles C4'-P-C4' energy: -139.438
flat angles P-C4'-P energy: -104.440
tors. eta vs tors. theta energy: -143.509
Dist. restrs. and SS energy: 1.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -1967.519928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.519928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.486563 (E_RNA)
where:
Base-Base interactions energy: -1344.038
where: short stacking energy: -585.346
Base-Backbone interact. energy: 1.427
local terms energy: -627.875121
where:
bonds (distance) C4'-P energy: -133.465
bonds (distance) P-C4' energy: -132.200
flat angles C4'-P-C4' energy: -140.850
flat angles P-C4'-P energy: -73.613
tors. eta vs tors. theta energy: -147.748
Dist. restrs. and SS energy: 2.967 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -1895.407767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.407767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.550566 (E_RNA)
where:
Base-Base interactions energy: -1291.166
where: short stacking energy: -547.504
Base-Backbone interact. energy: 1.930
local terms energy: -609.314512
where:
bonds (distance) C4'-P energy: -131.136
bonds (distance) P-C4' energy: -116.613
flat angles C4'-P-C4' energy: -134.982
flat angles P-C4'-P energy: -93.248
tors. eta vs tors. theta energy: -133.335
Dist. restrs. and SS energy: 3.143 (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: 2
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -1888.723889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.723889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.171544 (E_RNA)
where:
Base-Base interactions energy: -1283.979
where: short stacking energy: -547.837
Base-Backbone interact. energy: -2.608
local terms energy: -610.584670
where:
bonds (distance) C4'-P energy: -126.807
bonds (distance) P-C4' energy: -134.573
flat angles C4'-P-C4' energy: -135.134
flat angles P-C4'-P energy: -82.075
tors. eta vs tors. theta energy: -131.995
Dist. restrs. and SS energy: 8.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -3009.445575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3009.445575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3011.133052 (E_RNA)
where:
Base-Base interactions energy: -2098.570
where: short stacking energy: -892.706
Base-Backbone interact. energy: -1.292
local terms energy: -911.270382
where:
bonds (distance) C4'-P energy: -148.446
bonds (distance) P-C4' energy: -173.059
flat angles C4'-P-C4' energy: -200.545
flat angles P-C4'-P energy: -122.699
tors. eta vs tors. theta energy: -266.522
Dist. restrs. and SS energy: 1.687 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -2669.760982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.760982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.605941 (E_RNA)
where:
Base-Base interactions energy: -1836.052
where: short stacking energy: -784.489
Base-Backbone interact. energy: -2.376
local terms energy: -832.177770
where:
bonds (distance) C4'-P energy: -157.953
bonds (distance) P-C4' energy: -160.924
flat angles C4'-P-C4' energy: -177.273
flat angles P-C4'-P energy: -117.715
tors. eta vs tors. theta energy: -218.312
Dist. restrs. and SS energy: 0.845 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -2584.793405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.793405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.633036 (E_RNA)
where:
Base-Base interactions energy: -1815.853
where: short stacking energy: -739.419
Base-Backbone interact. energy: 2.620
local terms energy: -773.399893
where:
bonds (distance) C4'-P energy: -139.983
bonds (distance) P-C4' energy: -156.731
flat angles C4'-P-C4' energy: -172.355
flat angles P-C4'-P energy: -109.456
tors. eta vs tors. theta energy: -194.876
Dist. restrs. and SS energy: 1.840 (S_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: 100
Temperature: 1.050000
Total energy: -2428.040663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.040663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.473389 (E_RNA)
where:
Base-Base interactions energy: -1629.248
where: short stacking energy: -730.124
Base-Backbone interact. energy: -1.949
local terms energy: -798.276826
where:
bonds (distance) C4'-P energy: -147.660
bonds (distance) P-C4' energy: -162.971
flat angles C4'-P-C4' energy: -167.305
flat angles P-C4'-P energy: -105.448
tors. eta vs tors. theta energy: -214.892
Dist. restrs. and SS energy: 1.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -2307.117469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.117469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.573812 (E_RNA)
where:
Base-Base interactions energy: -1516.906
where: short stacking energy: -666.082
Base-Backbone interact. energy: -3.580
local terms energy: -790.087375
where:
bonds (distance) C4'-P energy: -149.956
bonds (distance) P-C4' energy: -171.294
flat angles C4'-P-C4' energy: -168.130
flat angles P-C4'-P energy: -114.066
tors. eta vs tors. theta energy: -186.641
Dist. restrs. and SS energy: 3.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -2240.043007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.043007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.990856 (E_RNA)
where:
Base-Base interactions energy: -1493.824
where: short stacking energy: -642.241
Base-Backbone interact. energy: -0.633
local terms energy: -747.533146
where:
bonds (distance) C4'-P energy: -125.903
bonds (distance) P-C4' energy: -165.497
flat angles C4'-P-C4' energy: -158.877
flat angles P-C4'-P energy: -115.093
tors. eta vs tors. theta energy: -182.163
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: 7, replica: 10
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -2071.831275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.831275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.573974 (E_RNA)
where:
Base-Base interactions energy: -1404.931
where: short stacking energy: -602.521
Base-Backbone interact. energy: -2.700
local terms energy: -666.942202
where:
bonds (distance) C4'-P energy: -129.296
bonds (distance) P-C4' energy: -122.864
flat angles C4'-P-C4' energy: -163.283
flat angles P-C4'-P energy: -98.225
tors. eta vs tors. theta energy: -153.274
Dist. restrs. and SS energy: 2.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -2042.512313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.512313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.100186 (E_RNA)
where:
Base-Base interactions energy: -1418.572
where: short stacking energy: -628.721
Base-Backbone interact. energy: -0.421
local terms energy: -626.106826
where:
bonds (distance) C4'-P energy: -112.170
bonds (distance) P-C4' energy: -110.734
flat angles C4'-P-C4' energy: -146.931
flat angles P-C4'-P energy: -92.648
tors. eta vs tors. theta energy: -163.624
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: 9, replica: 2
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -1950.867444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.867444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.019180 (E_RNA)
where:
Base-Base interactions energy: -1319.993
where: short stacking energy: -554.343
Base-Backbone interact. energy: 0.518
local terms energy: -636.544103
where:
bonds (distance) C4'-P energy: -126.416
bonds (distance) P-C4' energy: -132.445
flat angles C4'-P-C4' energy: -145.895
flat angles P-C4'-P energy: -95.481
tors. eta vs tors. theta energy: -136.307
Dist. restrs. and SS energy: 5.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -1841.559491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.559491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.067421 (E_RNA)
where:
Base-Base interactions energy: -1281.322
where: short stacking energy: -519.135
Base-Backbone interact. energy: -0.939
local terms energy: -561.806431
where:
bonds (distance) C4'-P energy: -119.676
bonds (distance) P-C4' energy: -96.429
flat angles C4'-P-C4' energy: -145.800
flat angles P-C4'-P energy: -83.203
tors. eta vs tors. theta energy: -116.698
Dist. restrs. and SS energy: 2.508 (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: 9
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -2944.462122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2944.462122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2945.757172 (E_RNA)
where:
Base-Base interactions energy: -2034.566
where: short stacking energy: -848.222
Base-Backbone interact. energy: 6.422
local terms energy: -917.612799
where:
bonds (distance) C4'-P energy: -167.360
bonds (distance) P-C4' energy: -174.880
flat angles C4'-P-C4' energy: -184.002
flat angles P-C4'-P energy: -142.984
tors. eta vs tors. theta energy: -248.387
Dist. restrs. and SS energy: 1.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -2694.072781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.072781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.765042 (E_RNA)
where:
Base-Base interactions energy: -1858.071
where: short stacking energy: -772.335
Base-Backbone interact. energy: -3.611
local terms energy: -834.083425
where:
bonds (distance) C4'-P energy: -162.508
bonds (distance) P-C4' energy: -152.730
flat angles C4'-P-C4' energy: -178.786
flat angles P-C4'-P energy: -115.791
tors. eta vs tors. theta energy: -224.269
Dist. restrs. and SS energy: 1.692 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -2586.429312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.429312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.098430 (E_RNA)
where:
Base-Base interactions energy: -1786.736
where: short stacking energy: -772.623
Base-Backbone interact. energy: -1.023
local terms energy: -801.339293
where:
bonds (distance) C4'-P energy: -148.364
bonds (distance) P-C4' energy: -154.438
flat angles C4'-P-C4' energy: -179.779
flat angles P-C4'-P energy: -103.476
tors. eta vs tors. theta energy: -215.281
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: 4, replica: 6
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -2424.960297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.960297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.984477 (E_RNA)
where:
Base-Base interactions energy: -1645.734
where: short stacking energy: -721.406
Base-Backbone interact. energy: -1.786
local terms energy: -779.465040
where:
bonds (distance) C4'-P energy: -160.892
bonds (distance) P-C4' energy: -141.003
flat angles C4'-P-C4' energy: -167.174
flat angles P-C4'-P energy: -115.166
tors. eta vs tors. theta energy: -195.229
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: 3
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -2309.849943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.849943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.830270 (E_RNA)
where:
Base-Base interactions energy: -1545.660
where: short stacking energy: -665.265
Base-Backbone interact. energy: -0.435
local terms energy: -764.735310
where:
bonds (distance) C4'-P energy: -152.085
bonds (distance) P-C4' energy: -147.273
flat angles C4'-P-C4' energy: -173.173
flat angles P-C4'-P energy: -103.636
tors. eta vs tors. theta energy: -188.568
Dist. restrs. and SS energy: 0.980 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -2182.443470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.443470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.759521 (E_RNA)
where:
Base-Base interactions energy: -1477.752
where: short stacking energy: -647.500
Base-Backbone interact. energy: -2.747
local terms energy: -704.260126
where:
bonds (distance) C4'-P energy: -123.965
bonds (distance) P-C4' energy: -132.226
flat angles C4'-P-C4' energy: -166.365
flat angles P-C4'-P energy: -110.159
tors. eta vs tors. theta energy: -171.546
Dist. restrs. and SS energy: 2.316 (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: 10
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -2101.038671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.038671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.058496 (E_RNA)
where:
Base-Base interactions energy: -1405.275
where: short stacking energy: -587.923
Base-Backbone interact. energy: 1.259
local terms energy: -699.043304
where:
bonds (distance) C4'-P energy: -126.900
bonds (distance) P-C4' energy: -142.578
flat angles C4'-P-C4' energy: -160.747
flat angles P-C4'-P energy: -114.057
tors. eta vs tors. theta energy: -154.761
Dist. restrs. and SS energy: 2.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -1978.436764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.436764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.910065 (E_RNA)
where:
Base-Base interactions energy: -1343.611
where: short stacking energy: -557.250
Base-Backbone interact. energy: 2.512
local terms energy: -640.810948
where:
bonds (distance) C4'-P energy: -122.310
bonds (distance) P-C4' energy: -147.326
flat angles C4'-P-C4' energy: -155.286
flat angles P-C4'-P energy: -82.954
tors. eta vs tors. theta energy: -132.935
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: 9, replica: 5
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -1967.247359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.247359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.416104 (E_RNA)
where:
Base-Base interactions energy: -1343.670
where: short stacking energy: -598.896
Base-Backbone interact. energy: 1.690
local terms energy: -627.436098
where:
bonds (distance) C4'-P energy: -114.699
bonds (distance) P-C4' energy: -152.741
flat angles C4'-P-C4' energy: -131.231
flat angles P-C4'-P energy: -67.144
tors. eta vs tors. theta energy: -161.622
Dist. restrs. and SS energy: 2.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -1848.026569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.026569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.733500 (E_RNA)
where:
Base-Base interactions energy: -1261.236
where: short stacking energy: -529.763
Base-Backbone interact. energy: 0.753
local terms energy: -594.250387
where:
bonds (distance) C4'-P energy: -141.119
bonds (distance) P-C4' energy: -112.269
flat angles C4'-P-C4' energy: -121.083
flat angles P-C4'-P energy: -77.602
tors. eta vs tors. theta energy: -142.178
Dist. restrs. and SS energy: 6.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -2961.433290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2961.433290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2962.628830 (E_RNA)
where:
Base-Base interactions energy: -2057.952
where: short stacking energy: -857.702
Base-Backbone interact. energy: 3.917
local terms energy: -908.594417
where:
bonds (distance) C4'-P energy: -156.498
bonds (distance) P-C4' energy: -165.367
flat angles C4'-P-C4' energy: -199.083
flat angles P-C4'-P energy: -131.388
tors. eta vs tors. theta energy: -256.260
Dist. restrs. and SS energy: 1.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -2657.514844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.514844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.162496 (E_RNA)
where:
Base-Base interactions energy: -1829.749
where: short stacking energy: -782.206
Base-Backbone interact. energy: 0.019
local terms energy: -830.432263
where:
bonds (distance) C4'-P energy: -158.428
bonds (distance) P-C4' energy: -161.795
flat angles C4'-P-C4' energy: -177.447
flat angles P-C4'-P energy: -114.173
tors. eta vs tors. theta energy: -218.589
Dist. restrs. and SS energy: 2.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -2574.934117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.934117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.543254 (E_RNA)
where:
Base-Base interactions energy: -1777.590
where: short stacking energy: -765.415
Base-Backbone interact. energy: -4.494
local terms energy: -794.459439
where:
bonds (distance) C4'-P energy: -133.031
bonds (distance) P-C4' energy: -157.651
flat angles C4'-P-C4' energy: -175.261
flat angles P-C4'-P energy: -115.398
tors. eta vs tors. theta energy: -213.118
Dist. restrs. and SS energy: 1.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -2420.941390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.941390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.047637 (E_RNA)
where:
Base-Base interactions energy: -1622.828
where: short stacking energy: -692.477
Base-Backbone interact. energy: -0.456
local terms energy: -800.763511
where:
bonds (distance) C4'-P energy: -142.339
bonds (distance) P-C4' energy: -166.076
flat angles C4'-P-C4' energy: -173.696
flat angles P-C4'-P energy: -117.072
tors. eta vs tors. theta energy: -201.581
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: 3
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -2304.101351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.101351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.083738 (E_RNA)
where:
Base-Base interactions energy: -1535.512
where: short stacking energy: -702.023
Base-Backbone interact. energy: -2.613
local terms energy: -766.958694
where:
bonds (distance) C4'-P energy: -151.695
bonds (distance) P-C4' energy: -150.105
flat angles C4'-P-C4' energy: -170.661
flat angles P-C4'-P energy: -98.655
tors. eta vs tors. theta energy: -195.842
Dist. restrs. and SS energy: 0.982 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -2272.509570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.509570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.628644 (E_RNA)
where:
Base-Base interactions energy: -1526.376
where: short stacking energy: -657.825
Base-Backbone interact. energy: -0.478
local terms energy: -747.774502
where:
bonds (distance) C4'-P energy: -132.493
bonds (distance) P-C4' energy: -149.699
flat angles C4'-P-C4' energy: -180.743
flat angles P-C4'-P energy: -97.813
tors. eta vs tors. theta energy: -187.027
Dist. restrs. and SS energy: 2.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -2146.112904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.112904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.431787 (E_RNA)
where:
Base-Base interactions energy: -1450.426
where: short stacking energy: -609.960
Base-Backbone interact. energy: -0.105
local terms energy: -697.900888
where:
bonds (distance) C4'-P energy: -154.286
bonds (distance) P-C4' energy: -142.126
flat angles C4'-P-C4' energy: -133.837
flat angles P-C4'-P energy: -102.022
tors. eta vs tors. theta energy: -165.630
Dist. restrs. and SS energy: 2.319 (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: 10
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -2033.904472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.904472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.912756 (E_RNA)
where:
Base-Base interactions energy: -1430.876
where: short stacking energy: -582.337
Base-Backbone interact. energy: 3.755
local terms energy: -608.791700
where:
bonds (distance) C4'-P energy: -118.784
bonds (distance) P-C4' energy: -136.380
flat angles C4'-P-C4' energy: -137.347
flat angles P-C4'-P energy: -84.163
tors. eta vs tors. theta energy: -132.118
Dist. restrs. and SS energy: 2.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -1962.370994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.370994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.276596 (E_RNA)
where:
Base-Base interactions energy: -1343.500
where: short stacking energy: -547.782
Base-Backbone interact. energy: -2.130
local terms energy: -618.646540
where:
bonds (distance) C4'-P energy: -114.185
bonds (distance) P-C4' energy: -128.468
flat angles C4'-P-C4' energy: -143.567
flat angles P-C4'-P energy: -95.298
tors. eta vs tors. theta energy: -137.129
Dist. restrs. and SS energy: 1.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -1766.690894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.690894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.643126 (E_RNA)
where:
Base-Base interactions energy: -1191.292
where: short stacking energy: -496.681
Base-Backbone interact. energy: -1.965
local terms energy: -584.385599
where:
bonds (distance) C4'-P energy: -142.592
bonds (distance) P-C4' energy: -137.007
flat angles C4'-P-C4' energy: -122.840
flat angles P-C4'-P energy: -71.146
tors. eta vs tors. theta energy: -110.800
Dist. restrs. and SS energy: 10.952 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -2959.883028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2959.883028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2962.447960 (E_RNA)
where:
Base-Base interactions energy: -2083.104
where: short stacking energy: -876.635
Base-Backbone interact. energy: 0.228
local terms energy: -879.571704
where:
bonds (distance) C4'-P energy: -172.040
bonds (distance) P-C4' energy: -156.415
flat angles C4'-P-C4' energy: -170.916
flat angles P-C4'-P energy: -134.921
tors. eta vs tors. theta energy: -245.280
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: 7
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -2653.238477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.238477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.064404 (E_RNA)
where:
Base-Base interactions energy: -1810.959
where: short stacking energy: -777.473
Base-Backbone interact. energy: -4.549
local terms energy: -840.556090
where:
bonds (distance) C4'-P energy: -153.469
bonds (distance) P-C4' energy: -172.760
flat angles C4'-P-C4' energy: -167.930
flat angles P-C4'-P energy: -129.835
tors. eta vs tors. theta energy: -216.562
Dist. restrs. and SS energy: 2.826 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -2552.164252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.164252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.054337 (E_RNA)
where:
Base-Base interactions energy: -1751.703
where: short stacking energy: -722.958
Base-Backbone interact. energy: -2.473
local terms energy: -799.878388
where:
bonds (distance) C4'-P energy: -143.958
bonds (distance) P-C4' energy: -169.923
flat angles C4'-P-C4' energy: -168.793
flat angles P-C4'-P energy: -123.670
tors. eta vs tors. theta energy: -193.535
Dist. restrs. and SS energy: 1.890 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -2373.007905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.007905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.299174 (E_RNA)
where:
Base-Base interactions energy: -1615.995
where: short stacking energy: -689.956
Base-Backbone interact. energy: 0.662
local terms energy: -758.965936
where:
bonds (distance) C4'-P energy: -167.045
bonds (distance) P-C4' energy: -152.777
flat angles C4'-P-C4' energy: -139.674
flat angles P-C4'-P energy: -109.601
tors. eta vs tors. theta energy: -189.869
Dist. restrs. and SS energy: 1.291 (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: 3
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -2296.951618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.951618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.017977 (E_RNA)
where:
Base-Base interactions energy: -1535.601
where: short stacking energy: -696.093
Base-Backbone interact. energy: 3.277
local terms energy: -767.693607
where:
bonds (distance) C4'-P energy: -140.630
bonds (distance) P-C4' energy: -159.034
flat angles C4'-P-C4' energy: -164.290
flat angles P-C4'-P energy: -103.435
tors. eta vs tors. theta energy: -200.304
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: 6, replica: 1
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -2222.133243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.133243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.123158 (E_RNA)
where:
Base-Base interactions energy: -1481.743
where: short stacking energy: -640.394
Base-Backbone interact. energy: -1.767
local terms energy: -740.612433
where:
bonds (distance) C4'-P energy: -153.772
bonds (distance) P-C4' energy: -138.859
flat angles C4'-P-C4' energy: -155.525
flat angles P-C4'-P energy: -110.052
tors. eta vs tors. theta energy: -182.405
Dist. restrs. and SS energy: 1.990 (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: 2
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -2119.495220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.495220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.503214 (E_RNA)
where:
Base-Base interactions energy: -1423.385
where: short stacking energy: -631.436
Base-Backbone interact. energy: -1.321
local terms energy: -701.797209
where:
bonds (distance) C4'-P energy: -131.125
bonds (distance) P-C4' energy: -152.610
flat angles C4'-P-C4' energy: -153.026
flat angles P-C4'-P energy: -83.482
tors. eta vs tors. theta energy: -181.554
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: 8, replica: 5
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -2033.322276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.322276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.694943 (E_RNA)
where:
Base-Base interactions energy: -1358.371
where: short stacking energy: -560.683
Base-Backbone interact. energy: -2.129
local terms energy: -677.194830
where:
bonds (distance) C4'-P energy: -138.163
bonds (distance) P-C4' energy: -132.673
flat angles C4'-P-C4' energy: -165.665
flat angles P-C4'-P energy: -93.344
tors. eta vs tors. theta energy: -147.350
Dist. restrs. and SS energy: 4.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -1936.752986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.752986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.232256 (E_RNA)
where:
Base-Base interactions energy: -1325.767
where: short stacking energy: -527.920
Base-Backbone interact. energy: 1.724
local terms energy: -618.189570
where:
bonds (distance) C4'-P energy: -127.220
bonds (distance) P-C4' energy: -139.077
flat angles C4'-P-C4' energy: -127.083
flat angles P-C4'-P energy: -94.003
tors. eta vs tors. theta energy: -130.808
Dist. restrs. and SS energy: 5.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -1782.754223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.754223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.262362 (E_RNA)
where:
Base-Base interactions energy: -1190.588
where: short stacking energy: -468.567
Base-Backbone interact. energy: 1.544
local terms energy: -598.218358
where:
bonds (distance) C4'-P energy: -126.731
bonds (distance) P-C4' energy: -135.987
flat angles C4'-P-C4' energy: -132.223
flat angles P-C4'-P energy: -77.139
tors. eta vs tors. theta energy: -126.138
Dist. restrs. and SS energy: 4.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -2941.780360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2941.780360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2942.861207 (E_RNA)
where:
Base-Base interactions energy: -2079.921
where: short stacking energy: -848.917
Base-Backbone interact. energy: -1.706
local terms energy: -861.234080
where:
bonds (distance) C4'-P energy: -144.484
bonds (distance) P-C4' energy: -159.250
flat angles C4'-P-C4' energy: -186.895
flat angles P-C4'-P energy: -126.189
tors. eta vs tors. theta energy: -244.416
Dist. restrs. and SS energy: 1.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -2636.386058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.386058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.813776 (E_RNA)
where:
Base-Base interactions energy: -1774.394
where: short stacking energy: -774.021
Base-Backbone interact. energy: 3.066
local terms energy: -867.485496
where:
bonds (distance) C4'-P energy: -164.828
bonds (distance) P-C4' energy: -170.088
flat angles C4'-P-C4' energy: -188.177
flat angles P-C4'-P energy: -127.724
tors. eta vs tors. theta energy: -216.668
Dist. restrs. and SS energy: 2.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -2558.728754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.728754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.266415 (E_RNA)
where:
Base-Base interactions energy: -1758.842
where: short stacking energy: -725.389
Base-Backbone interact. energy: -1.729
local terms energy: -799.694880
where:
bonds (distance) C4'-P energy: -164.177
bonds (distance) P-C4' energy: -150.455
flat angles C4'-P-C4' energy: -171.935
flat angles P-C4'-P energy: -109.883
tors. eta vs tors. theta energy: -203.244
Dist. restrs. and SS energy: 1.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -2436.726778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.726778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.698077 (E_RNA)
where:
Base-Base interactions energy: -1640.573
where: short stacking energy: -730.045
Base-Backbone interact. energy: -1.269
local terms energy: -796.856388
where:
bonds (distance) C4'-P energy: -153.697
bonds (distance) P-C4' energy: -164.434
flat angles C4'-P-C4' energy: -171.589
flat angles P-C4'-P energy: -102.504
tors. eta vs tors. theta energy: -204.632
Dist. restrs. and SS energy: 1.971 (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: 3
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -2325.367136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.367136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.204790 (E_RNA)
where:
Base-Base interactions energy: -1536.470
where: short stacking energy: -673.069
Base-Backbone interact. energy: -4.205
local terms energy: -787.530334
where:
bonds (distance) C4'-P energy: -155.021
bonds (distance) P-C4' energy: -163.101
flat angles C4'-P-C4' energy: -167.393
flat angles P-C4'-P energy: -112.511
tors. eta vs tors. theta energy: -189.504
Dist. restrs. and SS energy: 2.838 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -2144.827497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.827497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.208178 (E_RNA)
where:
Base-Base interactions energy: -1461.791
where: short stacking energy: -628.606
Base-Backbone interact. energy: 2.400
local terms energy: -687.817504
where:
bonds (distance) C4'-P energy: -146.123
bonds (distance) P-C4' energy: -143.114
flat angles C4'-P-C4' energy: -148.360
flat angles P-C4'-P energy: -95.924
tors. eta vs tors. theta energy: -154.296
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: 7, replica: 2
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -2064.400822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.400822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.015152 (E_RNA)
where:
Base-Base interactions energy: -1397.271
where: short stacking energy: -588.239
Base-Backbone interact. energy: -0.680
local terms energy: -668.063689
where:
bonds (distance) C4'-P energy: -133.700
bonds (distance) P-C4' energy: -146.843
flat angles C4'-P-C4' energy: -140.616
flat angles P-C4'-P energy: -93.648
tors. eta vs tors. theta energy: -153.257
Dist. restrs. and SS energy: 1.614 (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: 5
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -2031.160684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.160684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.138782 (E_RNA)
where:
Base-Base interactions energy: -1405.100
where: short stacking energy: -585.789
Base-Backbone interact. energy: -2.281
local terms energy: -626.757108
where:
bonds (distance) C4'-P energy: -99.223
bonds (distance) P-C4' energy: -138.671
flat angles C4'-P-C4' energy: -142.185
flat angles P-C4'-P energy: -83.500
tors. eta vs tors. theta energy: -163.178
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: 9, replica: 10
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -1904.623233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.623233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.766921 (E_RNA)
where:
Base-Base interactions energy: -1295.510
where: short stacking energy: -547.326
Base-Backbone interact. energy: -0.701
local terms energy: -611.556222
where:
bonds (distance) C4'-P energy: -115.444
bonds (distance) P-C4' energy: -116.300
flat angles C4'-P-C4' energy: -135.690
flat angles P-C4'-P energy: -103.347
tors. eta vs tors. theta energy: -140.775
Dist. restrs. and SS energy: 3.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -1813.079163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.079163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.874924 (E_RNA)
where:
Base-Base interactions energy: -1202.203
where: short stacking energy: -508.615
Base-Backbone interact. energy: -0.103
local terms energy: -616.569268
where:
bonds (distance) C4'-P energy: -118.721
bonds (distance) P-C4' energy: -138.639
flat angles C4'-P-C4' energy: -147.968
flat angles P-C4'-P energy: -76.768
tors. eta vs tors. theta energy: -134.474
Dist. restrs. and SS energy: 5.796 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -3002.004928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3002.004928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3003.266309 (E_RNA)
where:
Base-Base interactions energy: -2108.201
where: short stacking energy: -878.123
Base-Backbone interact. energy: -1.592
local terms energy: -893.473093
where:
bonds (distance) C4'-P energy: -153.378
bonds (distance) P-C4' energy: -171.563
flat angles C4'-P-C4' energy: -181.233
flat angles P-C4'-P energy: -124.903
tors. eta vs tors. theta energy: -262.395
Dist. restrs. and SS energy: 1.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -2649.028520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.028520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.392421 (E_RNA)
where:
Base-Base interactions energy: -1820.687
where: short stacking energy: -777.246
Base-Backbone interact. energy: -2.214
local terms energy: -828.491489
where:
bonds (distance) C4'-P energy: -154.458
bonds (distance) P-C4' energy: -151.470
flat angles C4'-P-C4' energy: -173.383
flat angles P-C4'-P energy: -124.421
tors. eta vs tors. theta energy: -224.760
Dist. restrs. and SS energy: 2.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -2602.129443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.129443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.413391 (E_RNA)
where:
Base-Base interactions energy: -1780.926
where: short stacking energy: -790.045
Base-Backbone interact. energy: -1.030
local terms energy: -822.456900
where:
bonds (distance) C4'-P energy: -163.729
bonds (distance) P-C4' energy: -143.619
flat angles C4'-P-C4' energy: -174.835
flat angles P-C4'-P energy: -108.142
tors. eta vs tors. theta energy: -232.132
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: 4, replica: 6
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -2402.198927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.198927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.827214 (E_RNA)
where:
Base-Base interactions energy: -1624.313
where: short stacking energy: -712.229
Base-Backbone interact. energy: 3.674
local terms energy: -783.188481
where:
bonds (distance) C4'-P energy: -142.870
bonds (distance) P-C4' energy: -139.103
flat angles C4'-P-C4' energy: -182.324
flat angles P-C4'-P energy: -129.752
tors. eta vs tors. theta energy: -189.139
Dist. restrs. and SS energy: 1.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -2305.891933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.891933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.710981 (E_RNA)
where:
Base-Base interactions energy: -1529.739
where: short stacking energy: -689.855
Base-Backbone interact. energy: -0.689
local terms energy: -778.282796
where:
bonds (distance) C4'-P energy: -155.237
bonds (distance) P-C4' energy: -156.389
flat angles C4'-P-C4' energy: -167.621
flat angles P-C4'-P energy: -100.420
tors. eta vs tors. theta energy: -198.616
Dist. restrs. and SS energy: 2.819 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -2168.411619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.411619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.762568 (E_RNA)
where:
Base-Base interactions energy: -1459.952
where: short stacking energy: -652.543
Base-Backbone interact. energy: -1.868
local terms energy: -708.942038
where:
bonds (distance) C4'-P energy: -129.603
bonds (distance) P-C4' energy: -157.540
flat angles C4'-P-C4' energy: -153.793
flat angles P-C4'-P energy: -93.603
tors. eta vs tors. theta energy: -174.403
Dist. restrs. and SS energy: 2.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -2122.981387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.981387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.315902 (E_RNA)
where:
Base-Base interactions energy: -1461.513
where: short stacking energy: -630.191
Base-Backbone interact. energy: 0.833
local terms energy: -665.636505
where:
bonds (distance) C4'-P energy: -120.659
bonds (distance) P-C4' energy: -155.610
flat angles C4'-P-C4' energy: -140.346
flat angles P-C4'-P energy: -67.595
tors. eta vs tors. theta energy: -181.426
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: 8, replica: 5
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -2131.993319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.993319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.446264 (E_RNA)
where:
Base-Base interactions energy: -1437.100
where: short stacking energy: -625.860
Base-Backbone interact. energy: 1.299
local terms energy: -697.645556
where:
bonds (distance) C4'-P energy: -126.826
bonds (distance) P-C4' energy: -146.856
flat angles C4'-P-C4' energy: -156.543
flat angles P-C4'-P energy: -98.108
tors. eta vs tors. theta energy: -169.313
Dist. restrs. and SS energy: 1.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -1912.559588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.559588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.690133 (E_RNA)
where:
Base-Base interactions energy: -1288.233
where: short stacking energy: -555.008
Base-Backbone interact. energy: 0.189
local terms energy: -626.646423
where:
bonds (distance) C4'-P energy: -124.193
bonds (distance) P-C4' energy: -131.710
flat angles C4'-P-C4' energy: -150.170
flat angles P-C4'-P energy: -96.209
tors. eta vs tors. theta energy: -124.364
Dist. restrs. and SS energy: 2.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -1823.877317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.877317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.707401 (E_RNA)
where:
Base-Base interactions energy: -1240.238
where: short stacking energy: -514.712
Base-Backbone interact. energy: 0.402
local terms energy: -589.871199
where:
bonds (distance) C4'-P energy: -125.445
bonds (distance) P-C4' energy: -127.022
flat angles C4'-P-C4' energy: -119.218
flat angles P-C4'-P energy: -82.466
tors. eta vs tors. theta energy: -135.721
Dist. restrs. and SS energy: 5.830 (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: 9
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -2963.996235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2963.996235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2965.114609 (E_RNA)
where:
Base-Base interactions energy: -2058.209
where: short stacking energy: -849.068
Base-Backbone interact. energy: -3.780
local terms energy: -903.126214
where:
bonds (distance) C4'-P energy: -159.771
bonds (distance) P-C4' energy: -165.098
flat angles C4'-P-C4' energy: -194.460
flat angles P-C4'-P energy: -132.069
tors. eta vs tors. theta energy: -251.728
Dist. restrs. and SS energy: 1.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -2691.742087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.742087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.014146 (E_RNA)
where:
Base-Base interactions energy: -1872.521
where: short stacking energy: -768.729
Base-Backbone interact. energy: -0.480
local terms energy: -820.013460
where:
bonds (distance) C4'-P energy: -148.384
bonds (distance) P-C4' energy: -165.092
flat angles C4'-P-C4' energy: -174.377
flat angles P-C4'-P energy: -110.809
tors. eta vs tors. theta energy: -221.351
Dist. restrs. and SS energy: 1.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -2563.959541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.959541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.819330 (E_RNA)
where:
Base-Base interactions energy: -1775.432
where: short stacking energy: -759.757
Base-Backbone interact. energy: -3.405
local terms energy: -785.982324
where:
bonds (distance) C4'-P energy: -155.308
bonds (distance) P-C4' energy: -136.020
flat angles C4'-P-C4' energy: -162.643
flat angles P-C4'-P energy: -111.936
tors. eta vs tors. theta energy: -220.074
Dist. restrs. and SS energy: 0.860 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -2415.855080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.855080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.029493 (E_RNA)
where:
Base-Base interactions energy: -1659.457
where: short stacking energy: -705.242
Base-Backbone interact. energy: 1.103
local terms energy: -758.675406
where:
bonds (distance) C4'-P energy: -137.912
bonds (distance) P-C4' energy: -134.825
flat angles C4'-P-C4' energy: -160.898
flat angles P-C4'-P energy: -130.294
tors. eta vs tors. theta energy: -194.746
Dist. restrs. and SS energy: 1.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -2282.896482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.896482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.629695 (E_RNA)
where:
Base-Base interactions energy: -1515.692
where: short stacking energy: -658.783
Base-Backbone interact. energy: 3.473
local terms energy: -773.409791
where:
bonds (distance) C4'-P energy: -150.523
bonds (distance) P-C4' energy: -145.664
flat angles C4'-P-C4' energy: -165.897
flat angles P-C4'-P energy: -107.999
tors. eta vs tors. theta energy: -203.327
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: 6, replica: 1
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -2125.045733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.045733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.167197 (E_RNA)
where:
Base-Base interactions energy: -1398.083
where: short stacking energy: -597.308
Base-Backbone interact. energy: -3.483
local terms energy: -725.601287
where:
bonds (distance) C4'-P energy: -151.563
bonds (distance) P-C4' energy: -142.088
flat angles C4'-P-C4' energy: -157.821
flat angles P-C4'-P energy: -100.671
tors. eta vs tors. theta energy: -173.459
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: 7, replica: 2
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -2086.962222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.962222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.200195 (E_RNA)
where:
Base-Base interactions energy: -1411.842
where: short stacking energy: -590.520
Base-Backbone interact. energy: 1.852
local terms energy: -680.210616
where:
bonds (distance) C4'-P energy: -114.187
bonds (distance) P-C4' energy: -145.156
flat angles C4'-P-C4' energy: -134.732
flat angles P-C4'-P energy: -119.309
tors. eta vs tors. theta energy: -166.827
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: 8, replica: 5
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -2022.007914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.007914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.440901 (E_RNA)
where:
Base-Base interactions energy: -1348.544
where: short stacking energy: -578.617
Base-Backbone interact. energy: -3.300
local terms energy: -673.596809
where:
bonds (distance) C4'-P energy: -132.857
bonds (distance) P-C4' energy: -118.216
flat angles C4'-P-C4' energy: -163.864
flat angles P-C4'-P energy: -103.855
tors. eta vs tors. theta energy: -154.806
Dist. restrs. and SS energy: 3.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -1899.745774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.745774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.269165 (E_RNA)
where:
Base-Base interactions energy: -1302.498
where: short stacking energy: -553.448
Base-Backbone interact. energy: 4.501
local terms energy: -604.272392
where:
bonds (distance) C4'-P energy: -132.740
bonds (distance) P-C4' energy: -141.480
flat angles C4'-P-C4' energy: -112.770
flat angles P-C4'-P energy: -79.886
tors. eta vs tors. theta energy: -137.396
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: 10, replica: 8
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -1821.780791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.780791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.362664 (E_RNA)
where:
Base-Base interactions energy: -1263.845
where: short stacking energy: -553.567
Base-Backbone interact. energy: 0.960
local terms energy: -568.478134
where:
bonds (distance) C4'-P energy: -100.911
bonds (distance) P-C4' energy: -122.869
flat angles C4'-P-C4' energy: -128.860
flat angles P-C4'-P energy: -80.308
tors. eta vs tors. theta energy: -135.530
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: 1, replica: 9
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -2930.428963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2930.428963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2931.645279 (E_RNA)
where:
Base-Base interactions energy: -2032.460
where: short stacking energy: -817.931
Base-Backbone interact. energy: 0.616
local terms energy: -899.801657
where:
bonds (distance) C4'-P energy: -170.059
bonds (distance) P-C4' energy: -171.595
flat angles C4'-P-C4' energy: -185.589
flat angles P-C4'-P energy: -117.867
tors. eta vs tors. theta energy: -254.692
Dist. restrs. and SS energy: 1.216 (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: 4
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -2664.423253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.423253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.350466 (E_RNA)
where:
Base-Base interactions energy: -1816.789
where: short stacking energy: -771.317
Base-Backbone interact. energy: -0.946
local terms energy: -847.614590
where:
bonds (distance) C4'-P energy: -161.119
bonds (distance) P-C4' energy: -166.929
flat angles C4'-P-C4' energy: -179.244
flat angles P-C4'-P energy: -128.597
tors. eta vs tors. theta energy: -211.725
Dist. restrs. and SS energy: 0.927 (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: 7
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -2612.583886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.583886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.668014 (E_RNA)
where:
Base-Base interactions energy: -1788.357
where: short stacking energy: -776.705
Base-Backbone interact. energy: -2.729
local terms energy: -822.582281
where:
bonds (distance) C4'-P energy: -157.222
bonds (distance) P-C4' energy: -158.031
flat angles C4'-P-C4' energy: -175.984
flat angles P-C4'-P energy: -115.619
tors. eta vs tors. theta energy: -215.727
Dist. restrs. and SS energy: 1.084 (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: 6
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -2402.540812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.540812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.246904 (E_RNA)
where:
Base-Base interactions energy: -1642.675
where: short stacking energy: -683.076
Base-Backbone interact. energy: 4.250
local terms energy: -764.822067
where:
bonds (distance) C4'-P energy: -156.859
bonds (distance) P-C4' energy: -151.560
flat angles C4'-P-C4' energy: -160.402
flat angles P-C4'-P energy: -105.981
tors. eta vs tors. theta energy: -190.020
Dist. restrs. and SS energy: 0.706 (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: 3
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -2301.378474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.378474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.609103 (E_RNA)
where:
Base-Base interactions energy: -1533.941
where: short stacking energy: -684.270
Base-Backbone interact. energy: -2.813
local terms energy: -766.855354
where:
bonds (distance) C4'-P energy: -149.745
bonds (distance) P-C4' energy: -142.804
flat angles C4'-P-C4' energy: -161.488
flat angles P-C4'-P energy: -108.698
tors. eta vs tors. theta energy: -204.121
Dist. restrs. and SS energy: 2.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -2144.175830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.175830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.604118 (E_RNA)
where:
Base-Base interactions energy: -1413.829
where: short stacking energy: -612.239
Base-Backbone interact. energy: -2.552
local terms energy: -730.222463
where:
bonds (distance) C4'-P energy: -151.472
bonds (distance) P-C4' energy: -150.374
flat angles C4'-P-C4' energy: -161.745
flat angles P-C4'-P energy: -107.277
tors. eta vs tors. theta energy: -159.355
Dist. restrs. and SS energy: 2.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -2079.531790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.531790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.916497 (E_RNA)
where:
Base-Base interactions energy: -1373.106
where: short stacking energy: -588.790
Base-Backbone interact. energy: -4.074
local terms energy: -705.736692
where:
bonds (distance) C4'-P energy: -134.967
bonds (distance) P-C4' energy: -152.901
flat angles C4'-P-C4' energy: -156.836
flat angles P-C4'-P energy: -109.325
tors. eta vs tors. theta energy: -151.709
Dist. restrs. and SS energy: 3.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -1996.082247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.082247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.371311 (E_RNA)
where:
Base-Base interactions energy: -1364.973
where: short stacking energy: -576.681
Base-Backbone interact. energy: 2.065
local terms energy: -635.463826
where:
bonds (distance) C4'-P energy: -132.184
bonds (distance) P-C4' energy: -110.138
flat angles C4'-P-C4' energy: -144.181
flat angles P-C4'-P energy: -98.396
tors. eta vs tors. theta energy: -150.564
Dist. restrs. and SS energy: 2.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -1943.491683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.491683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.779933 (E_RNA)
where:
Base-Base interactions energy: -1305.311
where: short stacking energy: -539.297
Base-Backbone interact. energy: -0.162
local terms energy: -640.307728
where:
bonds (distance) C4'-P energy: -138.113
bonds (distance) P-C4' energy: -146.633
flat angles C4'-P-C4' energy: -156.796
flat angles P-C4'-P energy: -86.935
tors. eta vs tors. theta energy: -111.830
Dist. restrs. and SS energy: 2.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -1782.864576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.864576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.606540 (E_RNA)
where:
Base-Base interactions energy: -1242.511
where: short stacking energy: -544.489
Base-Backbone interact. energy: -1.061
local terms energy: -547.034004
where:
bonds (distance) C4'-P energy: -107.348
bonds (distance) P-C4' energy: -104.789
flat angles C4'-P-C4' energy: -130.433
flat angles P-C4'-P energy: -79.501
tors. eta vs tors. theta energy: -124.963
Dist. restrs. and SS energy: 7.742 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -2946.262755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2946.262755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2947.909238 (E_RNA)
where:
Base-Base interactions energy: -2063.095
where: short stacking energy: -850.314
Base-Backbone interact. energy: 3.150
local terms energy: -887.964100
where:
bonds (distance) C4'-P energy: -149.061
bonds (distance) P-C4' energy: -178.911
flat angles C4'-P-C4' energy: -187.061
flat angles P-C4'-P energy: -122.815
tors. eta vs tors. theta energy: -250.116
Dist. restrs. and SS energy: 1.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -2696.236616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.236616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.343980 (E_RNA)
where:
Base-Base interactions energy: -1851.536
where: short stacking energy: -813.098
Base-Backbone interact. energy: 0.394
local terms energy: -846.201713
where:
bonds (distance) C4'-P energy: -152.755
bonds (distance) P-C4' energy: -151.967
flat angles C4'-P-C4' energy: -192.754
flat angles P-C4'-P energy: -118.463
tors. eta vs tors. theta energy: -230.262
Dist. restrs. and SS energy: 1.107 (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: 7
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -2569.488570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.488570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.785461 (E_RNA)
where:
Base-Base interactions energy: -1755.074
where: short stacking energy: -720.402
Base-Backbone interact. energy: -2.250
local terms energy: -814.461266
where:
bonds (distance) C4'-P energy: -144.068
bonds (distance) P-C4' energy: -167.907
flat angles C4'-P-C4' energy: -181.167
flat angles P-C4'-P energy: -119.656
tors. eta vs tors. theta energy: -201.665
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: 4, replica: 6
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -2439.527674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.527674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.610397 (E_RNA)
where:
Base-Base interactions energy: -1663.483
where: short stacking energy: -723.440
Base-Backbone interact. energy: -1.247
local terms energy: -776.880212
where:
bonds (distance) C4'-P energy: -148.042
bonds (distance) P-C4' energy: -130.077
flat angles C4'-P-C4' energy: -175.217
flat angles P-C4'-P energy: -118.343
tors. eta vs tors. theta energy: -205.201
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: 5, replica: 3
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -2299.582249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.582249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.785234 (E_RNA)
where:
Base-Base interactions energy: -1525.784
where: short stacking energy: -679.298
Base-Backbone interact. energy: -1.576
local terms energy: -774.425107
where:
bonds (distance) C4'-P energy: -148.847
bonds (distance) P-C4' energy: -146.818
flat angles C4'-P-C4' energy: -181.833
flat angles P-C4'-P energy: -102.671
tors. eta vs tors. theta energy: -194.257
Dist. restrs. and SS energy: 2.203 (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: 1
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -2168.364042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.364042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.683563 (E_RNA)
where:
Base-Base interactions energy: -1424.528
where: short stacking energy: -626.608
Base-Backbone interact. energy: 0.502
local terms energy: -746.657331
where:
bonds (distance) C4'-P energy: -143.384
bonds (distance) P-C4' energy: -154.952
flat angles C4'-P-C4' energy: -162.292
flat angles P-C4'-P energy: -111.018
tors. eta vs tors. theta energy: -175.011
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: 7, replica: 2
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -2121.630083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.630083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.138192 (E_RNA)
where:
Base-Base interactions energy: -1403.551
where: short stacking energy: -589.550
Base-Backbone interact. energy: -1.155
local terms energy: -719.431465
where:
bonds (distance) C4'-P energy: -150.194
bonds (distance) P-C4' energy: -150.126
flat angles C4'-P-C4' energy: -159.878
flat angles P-C4'-P energy: -95.081
tors. eta vs tors. theta energy: -164.153
Dist. restrs. and SS energy: 2.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -1982.847225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.847225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.396758 (E_RNA)
where:
Base-Base interactions energy: -1343.891
where: short stacking energy: -566.411
Base-Backbone interact. energy: 2.367
local terms energy: -644.872739
where:
bonds (distance) C4'-P energy: -130.667
bonds (distance) P-C4' energy: -138.482
flat angles C4'-P-C4' energy: -138.887
flat angles P-C4'-P energy: -92.537
tors. eta vs tors. theta energy: -144.300
Dist. restrs. and SS energy: 3.550 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -1953.737619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.737619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.134439 (E_RNA)
where:
Base-Base interactions energy: -1293.312
where: short stacking energy: -526.747
Base-Backbone interact. energy: -1.433
local terms energy: -662.389142
where:
bonds (distance) C4'-P energy: -146.991
bonds (distance) P-C4' energy: -114.002
flat angles C4'-P-C4' energy: -146.775
flat angles P-C4'-P energy: -118.478
tors. eta vs tors. theta energy: -136.143
Dist. restrs. and SS energy: 3.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -1822.848032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.848032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.109662 (E_RNA)
where:
Base-Base interactions energy: -1256.903
where: short stacking energy: -502.983
Base-Backbone interact. energy: 3.196
local terms energy: -572.403175
where:
bonds (distance) C4'-P energy: -113.798
bonds (distance) P-C4' energy: -119.875
flat angles C4'-P-C4' energy: -139.791
flat angles P-C4'-P energy: -94.249
tors. eta vs tors. theta energy: -104.691
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: 1, replica: 9
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -2953.009302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2953.009302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2954.838983 (E_RNA)
where:
Base-Base interactions energy: -2064.443
where: short stacking energy: -867.343
Base-Backbone interact. energy: -4.710
local terms energy: -885.685657
where:
bonds (distance) C4'-P energy: -159.980
bonds (distance) P-C4' energy: -167.742
flat angles C4'-P-C4' energy: -181.671
flat angles P-C4'-P energy: -131.358
tors. eta vs tors. theta energy: -244.934
Dist. restrs. and SS energy: 1.830 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -2698.069464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.069464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.816311 (E_RNA)
where:
Base-Base interactions energy: -1870.170
where: short stacking energy: -780.609
Base-Backbone interact. energy: -5.245
local terms energy: -823.401302
where:
bonds (distance) C4'-P energy: -154.842
bonds (distance) P-C4' energy: -160.125
flat angles C4'-P-C4' energy: -173.251
flat angles P-C4'-P energy: -117.538
tors. eta vs tors. theta energy: -217.646
Dist. restrs. and SS energy: 0.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -2589.224017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.224017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.624628 (E_RNA)
where:
Base-Base interactions energy: -1794.209
where: short stacking energy: -729.049
Base-Backbone interact. energy: -1.964
local terms energy: -794.450886
where:
bonds (distance) C4'-P energy: -152.643
bonds (distance) P-C4' energy: -139.797
flat angles C4'-P-C4' energy: -181.152
flat angles P-C4'-P energy: -114.241
tors. eta vs tors. theta energy: -206.618
Dist. restrs. and SS energy: 1.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -2441.157602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.157602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.464880 (E_RNA)
where:
Base-Base interactions energy: -1655.160
where: short stacking energy: -722.219
Base-Backbone interact. energy: 4.799
local terms energy: -792.104399
where:
bonds (distance) C4'-P energy: -140.655
bonds (distance) P-C4' energy: -141.562
flat angles C4'-P-C4' energy: -184.762
flat angles P-C4'-P energy: -109.473
tors. eta vs tors. theta energy: -215.652
Dist. restrs. and SS energy: 1.307 (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: 109
Temperature: 1.100000
Total energy: -2294.378290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.378290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.091442 (E_RNA)
where:
Base-Base interactions energy: -1554.168
where: short stacking energy: -662.737
Base-Backbone interact. energy: -2.607
local terms energy: -739.316391
where:
bonds (distance) C4'-P energy: -129.106
bonds (distance) P-C4' energy: -151.867
flat angles C4'-P-C4' energy: -154.252
flat angles P-C4'-P energy: -117.033
tors. eta vs tors. theta energy: -187.058
Dist. restrs. and SS energy: 1.713 (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: 1
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -2152.465232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.465232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.985185 (E_RNA)
where:
Base-Base interactions energy: -1447.401
where: short stacking energy: -642.310
Base-Backbone interact. energy: -0.795
local terms energy: -706.789502
where:
bonds (distance) C4'-P energy: -132.472
bonds (distance) P-C4' energy: -144.731
flat angles C4'-P-C4' energy: -153.338
flat angles P-C4'-P energy: -94.079
tors. eta vs tors. theta energy: -182.169
Dist. restrs. and SS energy: 2.520 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -2129.624379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.624379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.689550 (E_RNA)
where:
Base-Base interactions energy: -1393.567
where: short stacking energy: -617.348
Base-Backbone interact. energy: -1.905
local terms energy: -736.217228
where:
bonds (distance) C4'-P energy: -137.662
bonds (distance) P-C4' energy: -142.338
flat angles C4'-P-C4' energy: -176.516
flat angles P-C4'-P energy: -97.008
tors. eta vs tors. theta energy: -182.693
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: 8, replica: 10
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -2004.480071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.480071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.331349 (E_RNA)
where:
Base-Base interactions energy: -1360.456
where: short stacking energy: -566.857
Base-Backbone interact. energy: -0.597
local terms energy: -645.279097
where:
bonds (distance) C4'-P energy: -133.988
bonds (distance) P-C4' energy: -132.144
flat angles C4'-P-C4' energy: -156.083
flat angles P-C4'-P energy: -81.700
tors. eta vs tors. theta energy: -141.363
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: 9, replica: 5
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -1915.757536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.757536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.972207 (E_RNA)
where:
Base-Base interactions energy: -1285.482
where: short stacking energy: -530.533
Base-Backbone interact. energy: -1.442
local terms energy: -632.047734
where:
bonds (distance) C4'-P energy: -124.200
bonds (distance) P-C4' energy: -143.089
flat angles C4'-P-C4' energy: -154.347
flat angles P-C4'-P energy: -79.623
tors. eta vs tors. theta energy: -130.789
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: 10, replica: 8
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -1870.601041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.601041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.373335 (E_RNA)
where:
Base-Base interactions energy: -1287.029
where: short stacking energy: -544.729
Base-Backbone interact. energy: -2.147
local terms energy: -586.197248
where:
bonds (distance) C4'-P energy: -90.618
bonds (distance) P-C4' energy: -139.819
flat angles C4'-P-C4' energy: -147.450
flat angles P-C4'-P energy: -76.084
tors. eta vs tors. theta energy: -132.227
Dist. restrs. and SS energy: 4.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -2973.733292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2973.733292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2974.550767 (E_RNA)
where:
Base-Base interactions energy: -2073.457
where: short stacking energy: -867.481
Base-Backbone interact. energy: -3.794
local terms energy: -897.300236
where:
bonds (distance) C4'-P energy: -159.526
bonds (distance) P-C4' energy: -169.851
flat angles C4'-P-C4' energy: -181.792
flat angles P-C4'-P energy: -136.279
tors. eta vs tors. theta energy: -249.853
Dist. restrs. and SS energy: 0.817 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -2718.276261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.276261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.646748 (E_RNA)
where:
Base-Base interactions energy: -1892.879
where: short stacking energy: -796.969
Base-Backbone interact. energy: -5.661
local terms energy: -821.107154
where:
bonds (distance) C4'-P energy: -142.405
bonds (distance) P-C4' energy: -142.106
flat angles C4'-P-C4' energy: -176.870
flat angles P-C4'-P energy: -122.221
tors. eta vs tors. theta energy: -237.505
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: 3, replica: 7
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -2579.044581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.044581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.120587 (E_RNA)
where:
Base-Base interactions energy: -1771.605
where: short stacking energy: -739.287
Base-Backbone interact. energy: -2.710
local terms energy: -805.806370
where:
bonds (distance) C4'-P energy: -152.472
bonds (distance) P-C4' energy: -137.406
flat angles C4'-P-C4' energy: -178.977
flat angles P-C4'-P energy: -123.800
tors. eta vs tors. theta energy: -213.151
Dist. restrs. and SS energy: 1.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -2454.958379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.958379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.225026 (E_RNA)
where:
Base-Base interactions energy: -1655.367
where: short stacking energy: -709.058
Base-Backbone interact. energy: 5.959
local terms energy: -806.816604
where:
bonds (distance) C4'-P energy: -164.805
bonds (distance) P-C4' energy: -161.145
flat angles C4'-P-C4' energy: -175.522
flat angles P-C4'-P energy: -107.690
tors. eta vs tors. theta energy: -197.655
Dist. restrs. and SS energy: 1.267 (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: 3
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -2308.709703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.709703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.524118 (E_RNA)
where:
Base-Base interactions energy: -1560.809
where: short stacking energy: -676.956
Base-Backbone interact. energy: 1.509
local terms energy: -754.223630
where:
bonds (distance) C4'-P energy: -140.255
bonds (distance) P-C4' energy: -155.092
flat angles C4'-P-C4' energy: -171.375
flat angles P-C4'-P energy: -91.746
tors. eta vs tors. theta energy: -195.756
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: 6, replica: 1
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -2136.546405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.546405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.404737 (E_RNA)
where:
Base-Base interactions energy: -1437.435
where: short stacking energy: -636.010
Base-Backbone interact. energy: 6.484
local terms energy: -707.453756
where:
bonds (distance) C4'-P energy: -145.590
bonds (distance) P-C4' energy: -139.354
flat angles C4'-P-C4' energy: -158.882
flat angles P-C4'-P energy: -100.552
tors. eta vs tors. theta energy: -163.076
Dist. restrs. and SS energy: 1.858 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -2129.489003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.489003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.152663 (E_RNA)
where:
Base-Base interactions energy: -1448.739
where: short stacking energy: -634.798
Base-Backbone interact. energy: -3.956
local terms energy: -679.458109
where:
bonds (distance) C4'-P energy: -127.495
bonds (distance) P-C4' energy: -126.776
flat angles C4'-P-C4' energy: -145.247
flat angles P-C4'-P energy: -111.467
tors. eta vs tors. theta energy: -168.473
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: 8, replica: 10
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -2064.148435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.148435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.180838 (E_RNA)
where:
Base-Base interactions energy: -1398.999
where: short stacking energy: -577.553
Base-Backbone interact. energy: 3.104
local terms energy: -670.285184
where:
bonds (distance) C4'-P energy: -140.372
bonds (distance) P-C4' energy: -146.305
flat angles C4'-P-C4' energy: -153.030
flat angles P-C4'-P energy: -85.592
tors. eta vs tors. theta energy: -144.986
Dist. restrs. and SS energy: 2.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -1934.260467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.260467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.706314 (E_RNA)
where:
Base-Base interactions energy: -1334.150
where: short stacking energy: -529.106
Base-Backbone interact. energy: -0.332
local terms energy: -602.224419
where:
bonds (distance) C4'-P energy: -107.502
bonds (distance) P-C4' energy: -121.196
flat angles C4'-P-C4' energy: -151.687
flat angles P-C4'-P energy: -82.220
tors. eta vs tors. theta energy: -139.619
Dist. restrs. and SS energy: 2.446 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -1898.519529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.519529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.103762 (E_RNA)
where:
Base-Base interactions energy: -1296.801
where: short stacking energy: -540.315
Base-Backbone interact. energy: 1.356
local terms energy: -605.658364
where:
bonds (distance) C4'-P energy: -134.808
bonds (distance) P-C4' energy: -133.956
flat angles C4'-P-C4' energy: -124.585
flat angles P-C4'-P energy: -83.995
tors. eta vs tors. theta energy: -128.314
Dist. restrs. and SS energy: 2.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -2967.806408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2967.806408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2968.759766 (E_RNA)
where:
Base-Base interactions energy: -2077.796
where: short stacking energy: -848.808
Base-Backbone interact. energy: -4.595
local terms energy: -886.369395
where:
bonds (distance) C4'-P energy: -167.882
bonds (distance) P-C4' energy: -164.506
flat angles C4'-P-C4' energy: -189.063
flat angles P-C4'-P energy: -120.076
tors. eta vs tors. theta energy: -244.843
Dist. restrs. and SS energy: 0.953 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -2699.093524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.093524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.545990 (E_RNA)
where:
Base-Base interactions energy: -1855.127
where: short stacking energy: -791.525
Base-Backbone interact. energy: -4.943
local terms energy: -840.475608
where:
bonds (distance) C4'-P energy: -168.530
bonds (distance) P-C4' energy: -153.050
flat angles C4'-P-C4' energy: -181.311
flat angles P-C4'-P energy: -108.818
tors. eta vs tors. theta energy: -228.767
Dist. restrs. and SS energy: 1.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -2568.615529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.615529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.070439 (E_RNA)
where:
Base-Base interactions energy: -1772.659
where: short stacking energy: -745.073
Base-Backbone interact. energy: -0.297
local terms energy: -798.114048
where:
bonds (distance) C4'-P energy: -157.868
bonds (distance) P-C4' energy: -155.248
flat angles C4'-P-C4' energy: -161.624
flat angles P-C4'-P energy: -130.966
tors. eta vs tors. theta energy: -192.408
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: 6
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -2414.977968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.977968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.211459 (E_RNA)
where:
Base-Base interactions energy: -1631.103
where: short stacking energy: -720.757
Base-Backbone interact. energy: 8.484
local terms energy: -793.592864
where:
bonds (distance) C4'-P energy: -160.933
bonds (distance) P-C4' energy: -147.594
flat angles C4'-P-C4' energy: -153.959
flat angles P-C4'-P energy: -125.682
tors. eta vs tors. theta energy: -205.425
Dist. restrs. and SS energy: 1.233 (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: 3
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -2272.689828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.689828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.889326 (E_RNA)
where:
Base-Base interactions energy: -1543.760
where: short stacking energy: -667.980
Base-Backbone interact. energy: -6.320
local terms energy: -724.809019
where:
bonds (distance) C4'-P energy: -123.863
bonds (distance) P-C4' energy: -155.004
flat angles C4'-P-C4' energy: -157.022
flat angles P-C4'-P energy: -102.811
tors. eta vs tors. theta energy: -186.109
Dist. restrs. and SS energy: 2.199 (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: 2
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -2200.562243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.562243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.861721 (E_RNA)
where:
Base-Base interactions energy: -1485.553
where: short stacking energy: -644.170
Base-Backbone interact. energy: 2.049
local terms energy: -718.357945
where:
bonds (distance) C4'-P energy: -145.761
bonds (distance) P-C4' energy: -148.510
flat angles C4'-P-C4' energy: -145.438
flat angles P-C4'-P energy: -108.985
tors. eta vs tors. theta energy: -169.664
Dist. restrs. and SS energy: 1.299 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -2109.518855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.518855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.050609 (E_RNA)
where:
Base-Base interactions energy: -1444.870
where: short stacking energy: -622.920
Base-Backbone interact. energy: 6.909
local terms energy: -674.089588
where:
bonds (distance) C4'-P energy: -94.857
bonds (distance) P-C4' energy: -164.123
flat angles C4'-P-C4' energy: -142.790
flat angles P-C4'-P energy: -105.278
tors. eta vs tors. theta energy: -167.042
Dist. restrs. and SS energy: 2.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -1962.074512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.074512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.286240 (E_RNA)
where:
Base-Base interactions energy: -1297.256
where: short stacking energy: -546.828
Base-Backbone interact. energy: -0.389
local terms energy: -666.640879
where:
bonds (distance) C4'-P energy: -134.020
bonds (distance) P-C4' energy: -141.906
flat angles C4'-P-C4' energy: -166.190
flat angles P-C4'-P energy: -84.505
tors. eta vs tors. theta energy: -140.020
Dist. restrs. and SS energy: 2.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -1922.072985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.072985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.935411 (E_RNA)
where:
Base-Base interactions energy: -1283.999
where: short stacking energy: -533.601
Base-Backbone interact. energy: 4.519
local terms energy: -647.455428
where:
bonds (distance) C4'-P energy: -129.140
bonds (distance) P-C4' energy: -129.666
flat angles C4'-P-C4' energy: -150.589
flat angles P-C4'-P energy: -96.038
tors. eta vs tors. theta energy: -142.023
Dist. restrs. and SS energy: 4.862 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -1820.153763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.153763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.735928 (E_RNA)
where:
Base-Base interactions energy: -1212.722
where: short stacking energy: -486.967
Base-Backbone interact. energy: -2.314
local terms energy: -609.699711
where:
bonds (distance) C4'-P energy: -127.979
bonds (distance) P-C4' energy: -141.113
flat angles C4'-P-C4' energy: -133.033
flat angles P-C4'-P energy: -90.651
tors. eta vs tors. theta energy: -116.923
Dist. restrs. and SS energy: 4.582 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -2948.391559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2948.391559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2950.038252 (E_RNA)
where:
Base-Base interactions energy: -2060.278
where: short stacking energy: -856.164
Base-Backbone interact. energy: -1.017
local terms energy: -888.743883
where:
bonds (distance) C4'-P energy: -172.936
bonds (distance) P-C4' energy: -167.209
flat angles C4'-P-C4' energy: -187.189
flat angles P-C4'-P energy: -123.726
tors. eta vs tors. theta energy: -237.684
Dist. restrs. and SS energy: 1.647 (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: 4
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -2722.178698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.178698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.983879 (E_RNA)
where:
Base-Base interactions energy: -1879.193
where: short stacking energy: -821.940
Base-Backbone interact. energy: 1.418
local terms energy: -845.209090
where:
bonds (distance) C4'-P energy: -147.839
bonds (distance) P-C4' energy: -157.053
flat angles C4'-P-C4' energy: -172.727
flat angles P-C4'-P energy: -127.059
tors. eta vs tors. theta energy: -240.531
Dist. restrs. and SS energy: 0.805 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -2600.033964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.033964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.328445 (E_RNA)
where:
Base-Base interactions energy: -1797.767
where: short stacking energy: -747.370
Base-Backbone interact. energy: -4.020
local terms energy: -799.541411
where:
bonds (distance) C4'-P energy: -152.877
bonds (distance) P-C4' energy: -142.513
flat angles C4'-P-C4' energy: -167.704
flat angles P-C4'-P energy: -122.863
tors. eta vs tors. theta energy: -213.586
Dist. restrs. and SS energy: 1.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -2394.966904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.966904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.128258 (E_RNA)
where:
Base-Base interactions energy: -1614.133
where: short stacking energy: -713.078
Base-Backbone interact. energy: 1.583
local terms energy: -784.577983
where:
bonds (distance) C4'-P energy: -153.490
bonds (distance) P-C4' energy: -144.390
flat angles C4'-P-C4' energy: -170.962
flat angles P-C4'-P energy: -113.767
tors. eta vs tors. theta energy: -201.969
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: 5, replica: 3
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -2281.522662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.522662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.890079 (E_RNA)
where:
Base-Base interactions energy: -1531.743
where: short stacking energy: -661.796
Base-Backbone interact. energy: -3.230
local terms energy: -747.916683
where:
bonds (distance) C4'-P energy: -129.592
bonds (distance) P-C4' energy: -142.252
flat angles C4'-P-C4' energy: -171.445
flat angles P-C4'-P energy: -112.042
tors. eta vs tors. theta energy: -192.586
Dist. restrs. and SS energy: 1.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -2164.456932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.456932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.498224 (E_RNA)
where:
Base-Base interactions energy: -1454.671
where: short stacking energy: -614.551
Base-Backbone interact. energy: -0.232
local terms energy: -711.595200
where:
bonds (distance) C4'-P energy: -135.454
bonds (distance) P-C4' energy: -148.308
flat angles C4'-P-C4' energy: -167.401
flat angles P-C4'-P energy: -80.225
tors. eta vs tors. theta energy: -180.208
Dist. restrs. and SS energy: 2.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -2062.215063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.215063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.130829 (E_RNA)
where:
Base-Base interactions energy: -1377.134
where: short stacking energy: -574.700
Base-Backbone interact. energy: 0.505
local terms energy: -687.500901
where:
bonds (distance) C4'-P energy: -153.573
bonds (distance) P-C4' energy: -126.179
flat angles C4'-P-C4' energy: -149.835
flat angles P-C4'-P energy: -96.706
tors. eta vs tors. theta energy: -161.207
Dist. restrs. and SS energy: 1.916 (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: 10
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -1999.506474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.506474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.257234 (E_RNA)
where:
Base-Base interactions energy: -1337.406
where: short stacking energy: -579.537
Base-Backbone interact. energy: 7.155
local terms energy: -671.006881
where:
bonds (distance) C4'-P energy: -122.059
bonds (distance) P-C4' energy: -126.206
flat angles C4'-P-C4' energy: -162.464
flat angles P-C4'-P energy: -107.473
tors. eta vs tors. theta energy: -152.806
Dist. restrs. and SS energy: 1.751 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -1956.712961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.712961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.133162 (E_RNA)
where:
Base-Base interactions energy: -1315.148
where: short stacking energy: -569.234
Base-Backbone interact. energy: 0.166
local terms energy: -645.150485
where:
bonds (distance) C4'-P energy: -131.149
bonds (distance) P-C4' energy: -143.827
flat angles C4'-P-C4' energy: -134.696
flat angles P-C4'-P energy: -103.043
tors. eta vs tors. theta energy: -132.437
Dist. restrs. and SS energy: 3.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -1789.526436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.526436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.012261 (E_RNA)
where:
Base-Base interactions energy: -1221.358
where: short stacking energy: -503.278
Base-Backbone interact. energy: -1.179
local terms energy: -570.474766
where:
bonds (distance) C4'-P energy: -125.786
bonds (distance) P-C4' energy: -121.296
flat angles C4'-P-C4' energy: -121.015
flat angles P-C4'-P energy: -83.534
tors. eta vs tors. theta energy: -118.845
Dist. restrs. and SS energy: 3.486 (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: 9
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -2939.251597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2939.251597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2940.527645 (E_RNA)
where:
Base-Base interactions energy: -2065.176
where: short stacking energy: -841.751
Base-Backbone interact. energy: -1.463
local terms energy: -873.888738
where:
bonds (distance) C4'-P energy: -161.142
bonds (distance) P-C4' energy: -154.554
flat angles C4'-P-C4' energy: -190.404
flat angles P-C4'-P energy: -123.366
tors. eta vs tors. theta energy: -244.423
Dist. restrs. and SS energy: 1.276 (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: 4
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -2722.311320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.311320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.044965 (E_RNA)
where:
Base-Base interactions energy: -1885.964
where: short stacking energy: -795.470
Base-Backbone interact. energy: -3.858
local terms energy: -834.223379
where:
bonds (distance) C4'-P energy: -148.645
bonds (distance) P-C4' energy: -167.225
flat angles C4'-P-C4' energy: -171.245
flat angles P-C4'-P energy: -115.685
tors. eta vs tors. theta energy: -231.424
Dist. restrs. and SS energy: 1.734 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -2573.074822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.074822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.100828 (E_RNA)
where:
Base-Base interactions energy: -1756.924
where: short stacking energy: -762.674
Base-Backbone interact. energy: -0.692
local terms energy: -817.484054
where:
bonds (distance) C4'-P energy: -166.236
bonds (distance) P-C4' energy: -156.972
flat angles C4'-P-C4' energy: -169.912
flat angles P-C4'-P energy: -110.977
tors. eta vs tors. theta energy: -213.386
Dist. restrs. and SS energy: 2.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -2418.561234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.561234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.585337 (E_RNA)
where:
Base-Base interactions energy: -1644.537
where: short stacking energy: -725.984
Base-Backbone interact. energy: 1.567
local terms energy: -777.615815
where:
bonds (distance) C4'-P energy: -129.678
bonds (distance) P-C4' energy: -172.169
flat angles C4'-P-C4' energy: -157.509
flat angles P-C4'-P energy: -103.396
tors. eta vs tors. theta energy: -214.865
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: 3
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -2265.975777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.975777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.344985 (E_RNA)
where:
Base-Base interactions energy: -1526.933
where: short stacking energy: -649.277
Base-Backbone interact. energy: -3.511
local terms energy: -736.901165
where:
bonds (distance) C4'-P energy: -129.968
bonds (distance) P-C4' energy: -143.761
flat angles C4'-P-C4' energy: -164.723
flat angles P-C4'-P energy: -112.854
tors. eta vs tors. theta energy: -185.595
Dist. restrs. and SS energy: 1.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -2133.325430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.325430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.374157 (E_RNA)
where:
Base-Base interactions energy: -1427.495
where: short stacking energy: -631.181
Base-Backbone interact. energy: -4.897
local terms energy: -702.982217
where:
bonds (distance) C4'-P energy: -126.320
bonds (distance) P-C4' energy: -138.264
flat angles C4'-P-C4' energy: -165.948
flat angles P-C4'-P energy: -88.087
tors. eta vs tors. theta energy: -184.363
Dist. restrs. and SS energy: 2.049 (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: 1
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -2076.455180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.455180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.544075 (E_RNA)
where:
Base-Base interactions energy: -1376.119
where: short stacking energy: -600.080
Base-Backbone interact. energy: -1.091
local terms energy: -701.334753
where:
bonds (distance) C4'-P energy: -131.377
bonds (distance) P-C4' energy: -156.021
flat angles C4'-P-C4' energy: -165.687
flat angles P-C4'-P energy: -93.696
tors. eta vs tors. theta energy: -154.554
Dist. restrs. and SS energy: 2.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -1976.019042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.019042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.681071 (E_RNA)
where:
Base-Base interactions energy: -1349.807
where: short stacking energy: -568.533
Base-Backbone interact. energy: 1.421
local terms energy: -630.294690
where:
bonds (distance) C4'-P energy: -131.123
bonds (distance) P-C4' energy: -124.562
flat angles C4'-P-C4' energy: -149.844
flat angles P-C4'-P energy: -86.299
tors. eta vs tors. theta energy: -138.466
Dist. restrs. and SS energy: 2.662 (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: 8
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -1939.242505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.242505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.829774 (E_RNA)
where:
Base-Base interactions energy: -1312.240
where: short stacking energy: -549.815
Base-Backbone interact. energy: 0.989
local terms energy: -630.578313
where:
bonds (distance) C4'-P energy: -133.286
bonds (distance) P-C4' energy: -129.116
flat angles C4'-P-C4' energy: -130.952
flat angles P-C4'-P energy: -84.484
tors. eta vs tors. theta energy: -152.741
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: 10, replica: 5
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -1799.342517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.342517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.094824 (E_RNA)
where:
Base-Base interactions energy: -1236.786
where: short stacking energy: -531.070
Base-Backbone interact. energy: 2.541
local terms energy: -569.850082
where:
bonds (distance) C4'-P energy: -124.934
bonds (distance) P-C4' energy: -129.726
flat angles C4'-P-C4' energy: -124.699
flat angles P-C4'-P energy: -69.424
tors. eta vs tors. theta energy: -121.067
Dist. restrs. and SS energy: 4.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -2954.241231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2954.241231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2955.503769 (E_RNA)
where:
Base-Base interactions energy: -2069.580
where: short stacking energy: -853.583
Base-Backbone interact. energy: -2.856
local terms energy: -883.068396
where:
bonds (distance) C4'-P energy: -166.275
bonds (distance) P-C4' energy: -171.085
flat angles C4'-P-C4' energy: -167.084
flat angles P-C4'-P energy: -130.401
tors. eta vs tors. theta energy: -248.225
Dist. restrs. and SS energy: 1.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -2745.079899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.079899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.160831 (E_RNA)
where:
Base-Base interactions energy: -1895.249
where: short stacking energy: -822.502
Base-Backbone interact. energy: 1.364
local terms energy: -853.276632
where:
bonds (distance) C4'-P energy: -162.195
bonds (distance) P-C4' energy: -162.022
flat angles C4'-P-C4' energy: -179.398
flat angles P-C4'-P energy: -120.429
tors. eta vs tors. theta energy: -229.233
Dist. restrs. and SS energy: 2.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -2566.748307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.748307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.114707 (E_RNA)
where:
Base-Base interactions energy: -1754.966
where: short stacking energy: -750.381
Base-Backbone interact. energy: -2.558
local terms energy: -811.591377
where:
bonds (distance) C4'-P energy: -135.775
bonds (distance) P-C4' energy: -161.850
flat angles C4'-P-C4' energy: -172.296
flat angles P-C4'-P energy: -118.749
tors. eta vs tors. theta energy: -222.921
Dist. restrs. and SS energy: 2.366 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -2443.239833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.239833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.599394 (E_RNA)
where:
Base-Base interactions energy: -1649.423
where: short stacking energy: -718.385
Base-Backbone interact. energy: -0.617
local terms energy: -795.559066
where:
bonds (distance) C4'-P energy: -159.988
bonds (distance) P-C4' energy: -153.148
flat angles C4'-P-C4' energy: -172.147
flat angles P-C4'-P energy: -105.864
tors. eta vs tors. theta energy: -204.413
Dist. restrs. and SS energy: 2.360 (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: 3
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -2228.043499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.043499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.724761 (E_RNA)
where:
Base-Base interactions energy: -1483.370
where: short stacking energy: -665.264
Base-Backbone interact. energy: -1.791
local terms energy: -746.564294
where:
bonds (distance) C4'-P energy: -148.627
bonds (distance) P-C4' energy: -153.902
flat angles C4'-P-C4' energy: -156.399
flat angles P-C4'-P energy: -101.515
tors. eta vs tors. theta energy: -186.122
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: 6, replica: 2
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -2172.952294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.952294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.212687 (E_RNA)
where:
Base-Base interactions energy: -1484.467
where: short stacking energy: -636.740
Base-Backbone interact. energy: -1.585
local terms energy: -689.160641
where:
bonds (distance) C4'-P energy: -137.508
bonds (distance) P-C4' energy: -145.235
flat angles C4'-P-C4' energy: -141.932
flat angles P-C4'-P energy: -105.641
tors. eta vs tors. theta energy: -158.844
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: 7, replica: 1
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -2099.003116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.003116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.328512 (E_RNA)
where:
Base-Base interactions energy: -1390.614
where: short stacking energy: -586.971
Base-Backbone interact. energy: -2.118
local terms energy: -707.595837
where:
bonds (distance) C4'-P energy: -126.086
bonds (distance) P-C4' energy: -153.380
flat angles C4'-P-C4' energy: -142.989
flat angles P-C4'-P energy: -124.240
tors. eta vs tors. theta energy: -160.901
Dist. restrs. and SS energy: 1.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -1951.581660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.581660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.320450 (E_RNA)
where:
Base-Base interactions energy: -1337.902
where: short stacking energy: -575.685
Base-Backbone interact. energy: 0.777
local terms energy: -617.195254
where:
bonds (distance) C4'-P energy: -115.473
bonds (distance) P-C4' energy: -117.796
flat angles C4'-P-C4' energy: -154.414
flat angles P-C4'-P energy: -98.361
tors. eta vs tors. theta energy: -131.152
Dist. restrs. and SS energy: 2.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -1925.802013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.802013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.198410 (E_RNA)
where:
Base-Base interactions energy: -1356.547
where: short stacking energy: -572.891
Base-Backbone interact. energy: 5.898
local terms energy: -578.549963
where:
bonds (distance) C4'-P energy: -106.389
bonds (distance) P-C4' energy: -122.624
flat angles C4'-P-C4' energy: -133.044
flat angles P-C4'-P energy: -78.529
tors. eta vs tors. theta energy: -137.964
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: 10, replica: 5
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -1789.616876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.616876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.359817 (E_RNA)
where:
Base-Base interactions energy: -1207.269
where: short stacking energy: -498.592
Base-Backbone interact. energy: -0.631
local terms energy: -586.459624
where:
bonds (distance) C4'-P energy: -125.459
bonds (distance) P-C4' energy: -139.103
flat angles C4'-P-C4' energy: -123.539
flat angles P-C4'-P energy: -79.506
tors. eta vs tors. theta energy: -118.852
Dist. restrs. and SS energy: 4.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -2949.183586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2949.183586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2950.577739 (E_RNA)
where:
Base-Base interactions energy: -2093.159
where: short stacking energy: -844.790
Base-Backbone interact. energy: -1.668
local terms energy: -855.751172
where:
bonds (distance) C4'-P energy: -156.132
bonds (distance) P-C4' energy: -162.467
flat angles C4'-P-C4' energy: -180.526
flat angles P-C4'-P energy: -119.822
tors. eta vs tors. theta energy: -236.803
Dist. restrs. and SS energy: 1.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -2761.006390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2761.006390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2763.443514 (E_RNA)
where:
Base-Base interactions energy: -1904.521
where: short stacking energy: -817.497
Base-Backbone interact. energy: -3.030
local terms energy: -855.892648
where:
bonds (distance) C4'-P energy: -160.210
bonds (distance) P-C4' energy: -155.160
flat angles C4'-P-C4' energy: -176.563
flat angles P-C4'-P energy: -125.781
tors. eta vs tors. theta energy: -238.179
Dist. restrs. and SS energy: 2.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -2530.155184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.155184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.580071 (E_RNA)
where:
Base-Base interactions energy: -1716.554
where: short stacking energy: -715.100
Base-Backbone interact. energy: 0.388
local terms energy: -815.414699
where:
bonds (distance) C4'-P energy: -144.286
bonds (distance) P-C4' energy: -173.660
flat angles C4'-P-C4' energy: -170.940
flat angles P-C4'-P energy: -120.526
tors. eta vs tors. theta energy: -206.002
Dist. restrs. and SS energy: 1.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -2391.818330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.818330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.695496 (E_RNA)
where:
Base-Base interactions energy: -1603.920
where: short stacking energy: -682.985
Base-Backbone interact. energy: -4.498
local terms energy: -785.277636
where:
bonds (distance) C4'-P energy: -155.419
bonds (distance) P-C4' energy: -150.086
flat angles C4'-P-C4' energy: -181.448
flat angles P-C4'-P energy: -108.437
tors. eta vs tors. theta energy: -189.888
Dist. restrs. and SS energy: 1.877 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -2267.199386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.199386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.658845 (E_RNA)
where:
Base-Base interactions energy: -1518.938
where: short stacking energy: -683.194
Base-Backbone interact. energy: -0.272
local terms energy: -750.447999
where:
bonds (distance) C4'-P energy: -142.455
bonds (distance) P-C4' energy: -142.147
flat angles C4'-P-C4' energy: -169.745
flat angles P-C4'-P energy: -111.031
tors. eta vs tors. theta energy: -185.071
Dist. restrs. and SS energy: 2.459 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -2171.009214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.009214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.302639 (E_RNA)
where:
Base-Base interactions energy: -1472.742
where: short stacking energy: -631.429
Base-Backbone interact. energy: -5.055
local terms energy: -695.505307
where:
bonds (distance) C4'-P energy: -115.129
bonds (distance) P-C4' energy: -151.700
flat angles C4'-P-C4' energy: -146.932
flat angles P-C4'-P energy: -89.996
tors. eta vs tors. theta energy: -191.747
Dist. restrs. and SS energy: 2.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -2128.868681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.868681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.447093 (E_RNA)
where:
Base-Base interactions energy: -1402.350
where: short stacking energy: -619.918
Base-Backbone interact. energy: -0.297
local terms energy: -727.800661
where:
bonds (distance) C4'-P energy: -134.583
bonds (distance) P-C4' energy: -158.965
flat angles C4'-P-C4' energy: -167.259
flat angles P-C4'-P energy: -97.582
tors. eta vs tors. theta energy: -169.412
Dist. restrs. and SS energy: 1.578 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -2008.981494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.981494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.498901 (E_RNA)
where:
Base-Base interactions energy: -1321.533
where: short stacking energy: -564.005
Base-Backbone interact. energy: 1.544
local terms energy: -692.509013
where:
bonds (distance) C4'-P energy: -140.466
bonds (distance) P-C4' energy: -157.450
flat angles C4'-P-C4' energy: -160.123
flat angles P-C4'-P energy: -94.276
tors. eta vs tors. theta energy: -140.195
Dist. restrs. and SS energy: 3.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -1914.775945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.775945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.619511 (E_RNA)
where:
Base-Base interactions energy: -1262.840
where: short stacking energy: -534.584
Base-Backbone interact. energy: -2.096
local terms energy: -652.682942
where:
bonds (distance) C4'-P energy: -138.181
bonds (distance) P-C4' energy: -122.389
flat angles C4'-P-C4' energy: -157.441
flat angles P-C4'-P energy: -93.428
tors. eta vs tors. theta energy: -141.243
Dist. restrs. and SS energy: 2.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -1818.957274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.957274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.256984 (E_RNA)
where:
Base-Base interactions energy: -1239.980
where: short stacking energy: -504.375
Base-Backbone interact. energy: 2.210
local terms energy: -586.486576
where:
bonds (distance) C4'-P energy: -130.097
bonds (distance) P-C4' energy: -127.679
flat angles C4'-P-C4' energy: -140.289
flat angles P-C4'-P energy: -71.857
tors. eta vs tors. theta energy: -116.564
Dist. restrs. and SS energy: 5.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -2952.137071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2952.137071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2953.419366 (E_RNA)
where:
Base-Base interactions energy: -2066.641
where: short stacking energy: -829.557
Base-Backbone interact. energy: -4.091
local terms energy: -882.686709
where:
bonds (distance) C4'-P energy: -158.124
bonds (distance) P-C4' energy: -162.720
flat angles C4'-P-C4' energy: -186.283
flat angles P-C4'-P energy: -140.794
tors. eta vs tors. theta energy: -234.764
Dist. restrs. and SS energy: 1.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -2731.209214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2731.209214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.441621 (E_RNA)
where:
Base-Base interactions energy: -1885.888
where: short stacking energy: -802.499
Base-Backbone interact. energy: -3.461
local terms energy: -844.092800
where:
bonds (distance) C4'-P energy: -161.444
bonds (distance) P-C4' energy: -144.802
flat angles C4'-P-C4' energy: -185.500
flat angles P-C4'-P energy: -119.535
tors. eta vs tors. theta energy: -232.811
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: 3, replica: 7
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -2547.693752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.693752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.033265 (E_RNA)
where:
Base-Base interactions energy: -1739.717
where: short stacking energy: -735.712
Base-Backbone interact. energy: -3.456
local terms energy: -806.860328
where:
bonds (distance) C4'-P energy: -144.522
bonds (distance) P-C4' energy: -155.709
flat angles C4'-P-C4' energy: -176.413
flat angles P-C4'-P energy: -106.562
tors. eta vs tors. theta energy: -223.654
Dist. restrs. and SS energy: 2.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -2400.268081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.268081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.115275 (E_RNA)
where:
Base-Base interactions energy: -1574.893
where: short stacking energy: -710.173
Base-Backbone interact. energy: -3.416
local terms energy: -823.806731
where:
bonds (distance) C4'-P energy: -168.794
bonds (distance) P-C4' energy: -153.538
flat angles C4'-P-C4' energy: -175.929
flat angles P-C4'-P energy: -115.549
tors. eta vs tors. theta energy: -209.997
Dist. restrs. and SS energy: 1.847 (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: 2
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -2260.350060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.350060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.689314 (E_RNA)
where:
Base-Base interactions energy: -1531.457
where: short stacking energy: -655.108
Base-Backbone interact. energy: -0.779
local terms energy: -730.453236
where:
bonds (distance) C4'-P energy: -145.274
bonds (distance) P-C4' energy: -156.377
flat angles C4'-P-C4' energy: -141.226
flat angles P-C4'-P energy: -106.973
tors. eta vs tors. theta energy: -180.604
Dist. restrs. and SS energy: 2.339 (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: 3
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -2212.633503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.633503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.984712 (E_RNA)
where:
Base-Base interactions energy: -1510.301
where: short stacking energy: -678.304
Base-Backbone interact. energy: 2.760
local terms energy: -707.443330
where:
bonds (distance) C4'-P energy: -126.922
bonds (distance) P-C4' energy: -145.965
flat angles C4'-P-C4' energy: -162.433
flat angles P-C4'-P energy: -90.690
tors. eta vs tors. theta energy: -181.432
Dist. restrs. and SS energy: 2.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -2090.288034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.288034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.077769 (E_RNA)
where:
Base-Base interactions energy: -1413.381
where: short stacking energy: -628.127
Base-Backbone interact. energy: -2.220
local terms energy: -677.476733
where:
bonds (distance) C4'-P energy: -143.107
bonds (distance) P-C4' energy: -134.694
flat angles C4'-P-C4' energy: -148.282
flat angles P-C4'-P energy: -87.599
tors. eta vs tors. theta energy: -163.795
Dist. restrs. and SS energy: 2.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -2009.810845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.810845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.529579 (E_RNA)
where:
Base-Base interactions energy: -1339.501
where: short stacking energy: -565.755
Base-Backbone interact. energy: -1.887
local terms energy: -673.141390
where:
bonds (distance) C4'-P energy: -124.696
bonds (distance) P-C4' energy: -135.318
flat angles C4'-P-C4' energy: -160.576
flat angles P-C4'-P energy: -102.809
tors. eta vs tors. theta energy: -149.743
Dist. restrs. and SS energy: 4.719 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -1920.098500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.098500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.817385 (E_RNA)
where:
Base-Base interactions energy: -1304.667
where: short stacking energy: -555.094
Base-Backbone interact. energy: -3.021
local terms energy: -615.129342
where:
bonds (distance) C4'-P energy: -122.275
bonds (distance) P-C4' energy: -125.487
flat angles C4'-P-C4' energy: -142.835
flat angles P-C4'-P energy: -82.326
tors. eta vs tors. theta energy: -142.205
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: 10, replica: 5
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -1771.249454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.249454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.914263 (E_RNA)
where:
Base-Base interactions energy: -1201.599
where: short stacking energy: -511.710
Base-Backbone interact. energy: 6.273
local terms energy: -585.588188
where:
bonds (distance) C4'-P energy: -129.886
bonds (distance) P-C4' energy: -123.218
flat angles C4'-P-C4' energy: -129.452
flat angles P-C4'-P energy: -92.401
tors. eta vs tors. theta energy: -110.631
Dist. restrs. and SS energy: 9.665 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -2929.854969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2929.854969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2931.746446 (E_RNA)
where:
Base-Base interactions energy: -2070.710
where: short stacking energy: -837.820
Base-Backbone interact. energy: -1.961
local terms energy: -859.075856
where:
bonds (distance) C4'-P energy: -139.582
bonds (distance) P-C4' energy: -157.810
flat angles C4'-P-C4' energy: -185.550
flat angles P-C4'-P energy: -128.438
tors. eta vs tors. theta energy: -247.695
Dist. restrs. and SS energy: 1.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -2730.780167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.780167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.472322 (E_RNA)
where:
Base-Base interactions energy: -1863.174
where: short stacking energy: -792.732
Base-Backbone interact. energy: -1.705
local terms energy: -867.593415
where:
bonds (distance) C4'-P energy: -164.627
bonds (distance) P-C4' energy: -166.844
flat angles C4'-P-C4' energy: -179.738
flat angles P-C4'-P energy: -126.450
tors. eta vs tors. theta energy: -229.935
Dist. restrs. and SS energy: 1.692 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -2544.508731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.508731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.417448 (E_RNA)
where:
Base-Base interactions energy: -1710.326
where: short stacking energy: -731.454
Base-Backbone interact. energy: -5.804
local terms energy: -830.288095
where:
bonds (distance) C4'-P energy: -155.431
bonds (distance) P-C4' energy: -166.888
flat angles C4'-P-C4' energy: -182.634
flat angles P-C4'-P energy: -115.029
tors. eta vs tors. theta energy: -210.306
Dist. restrs. and SS energy: 1.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -2391.966365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.966365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.869094 (E_RNA)
where:
Base-Base interactions energy: -1581.625
where: short stacking energy: -716.458
Base-Backbone interact. energy: -1.416
local terms energy: -811.828277
where:
bonds (distance) C4'-P energy: -148.668
bonds (distance) P-C4' energy: -154.504
flat angles C4'-P-C4' energy: -177.196
flat angles P-C4'-P energy: -117.936
tors. eta vs tors. theta energy: -213.525
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: 5, replica: 2
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -2297.842316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.842316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.980148 (E_RNA)
where:
Base-Base interactions energy: -1533.935
where: short stacking energy: -682.808
Base-Backbone interact. energy: -0.618
local terms energy: -765.427144
where:
bonds (distance) C4'-P energy: -150.992
bonds (distance) P-C4' energy: -152.804
flat angles C4'-P-C4' energy: -158.600
flat angles P-C4'-P energy: -106.528
tors. eta vs tors. theta energy: -196.503
Dist. restrs. and SS energy: 2.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -2191.377618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.377618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.205666 (E_RNA)
where:
Base-Base interactions energy: -1487.576
where: short stacking energy: -672.151
Base-Backbone interact. energy: -0.601
local terms energy: -705.029013
where:
bonds (distance) C4'-P energy: -117.842
bonds (distance) P-C4' energy: -135.026
flat angles C4'-P-C4' energy: -171.607
flat angles P-C4'-P energy: -110.964
tors. eta vs tors. theta energy: -169.590
Dist. restrs. and SS energy: 1.828 (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: 1
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -2086.731431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.731431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.411090 (E_RNA)
where:
Base-Base interactions energy: -1383.027
where: short stacking energy: -589.101
Base-Backbone interact. energy: 1.769
local terms energy: -707.152865
where:
bonds (distance) C4'-P energy: -130.618
bonds (distance) P-C4' energy: -156.742
flat angles C4'-P-C4' energy: -160.597
flat angles P-C4'-P energy: -101.225
tors. eta vs tors. theta energy: -157.971
Dist. restrs. and SS energy: 1.680 (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: 10
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -1966.805538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.805538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.600213 (E_RNA)
where:
Base-Base interactions energy: -1317.327
where: short stacking energy: -532.202
Base-Backbone interact. energy: -2.208
local terms energy: -652.065310
where:
bonds (distance) C4'-P energy: -143.185
bonds (distance) P-C4' energy: -136.104
flat angles C4'-P-C4' energy: -152.746
flat angles P-C4'-P energy: -85.849
tors. eta vs tors. theta energy: -134.181
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: 9, replica: 8
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -1912.227873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.227873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.299341 (E_RNA)
where:
Base-Base interactions energy: -1270.944
where: short stacking energy: -518.475
Base-Backbone interact. energy: -1.318
local terms energy: -642.036747
where:
bonds (distance) C4'-P energy: -128.953
bonds (distance) P-C4' energy: -127.360
flat angles C4'-P-C4' energy: -166.496
flat angles P-C4'-P energy: -80.607
tors. eta vs tors. theta energy: -138.621
Dist. restrs. and SS energy: 2.071 (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: 5
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -1823.976028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.976028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.226892 (E_RNA)
where:
Base-Base interactions energy: -1240.852
where: short stacking energy: -530.643
Base-Backbone interact. energy: -0.443
local terms energy: -585.932689
where:
bonds (distance) C4'-P energy: -118.609
bonds (distance) P-C4' energy: -119.159
flat angles C4'-P-C4' energy: -137.904
flat angles P-C4'-P energy: -79.336
tors. eta vs tors. theta energy: -130.924
Dist. restrs. and SS energy: 3.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -2919.006675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2919.006675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2921.336274 (E_RNA)
where:
Base-Base interactions energy: -2032.029
where: short stacking energy: -842.009
Base-Backbone interact. energy: -2.201
local terms energy: -887.107065
where:
bonds (distance) C4'-P energy: -162.635
bonds (distance) P-C4' energy: -156.402
flat angles C4'-P-C4' energy: -186.411
flat angles P-C4'-P energy: -134.968
tors. eta vs tors. theta energy: -246.690
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: 4
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -2728.566575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.566575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.303261 (E_RNA)
where:
Base-Base interactions energy: -1880.351
where: short stacking energy: -788.126
Base-Backbone interact. energy: -3.001
local terms energy: -847.951496
where:
bonds (distance) C4'-P energy: -143.322
bonds (distance) P-C4' energy: -171.327
flat angles C4'-P-C4' energy: -179.193
flat angles P-C4'-P energy: -120.328
tors. eta vs tors. theta energy: -233.782
Dist. restrs. and SS energy: 2.737 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -2521.276983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.276983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.882095 (E_RNA)
where:
Base-Base interactions energy: -1733.727
where: short stacking energy: -717.404
Base-Backbone interact. energy: -2.812
local terms energy: -786.343774
where:
bonds (distance) C4'-P energy: -149.547
bonds (distance) P-C4' energy: -156.059
flat angles C4'-P-C4' energy: -171.531
flat angles P-C4'-P energy: -106.627
tors. eta vs tors. theta energy: -202.580
Dist. restrs. and SS energy: 1.605 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -2391.281827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.281827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.334073 (E_RNA)
where:
Base-Base interactions energy: -1602.974
where: short stacking energy: -684.681
Base-Backbone interact. energy: 0.235
local terms energy: -790.594970
where:
bonds (distance) C4'-P energy: -146.300
bonds (distance) P-C4' energy: -167.057
flat angles C4'-P-C4' energy: -177.284
flat angles P-C4'-P energy: -112.744
tors. eta vs tors. theta energy: -187.210
Dist. restrs. and SS energy: 2.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -2321.834248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.834248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.162468 (E_RNA)
where:
Base-Base interactions energy: -1597.390
where: short stacking energy: -674.345
Base-Backbone interact. energy: -0.389
local terms energy: -726.384120
where:
bonds (distance) C4'-P energy: -133.393
bonds (distance) P-C4' energy: -135.975
flat angles C4'-P-C4' energy: -177.884
flat angles P-C4'-P energy: -99.634
tors. eta vs tors. theta energy: -179.498
Dist. restrs. and SS energy: 2.328 (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: 3
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -2250.025651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.025651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.410159 (E_RNA)
where:
Base-Base interactions energy: -1524.167
where: short stacking energy: -669.075
Base-Backbone interact. energy: -2.609
local terms energy: -725.635049
where:
bonds (distance) C4'-P energy: -140.007
bonds (distance) P-C4' energy: -155.811
flat angles C4'-P-C4' energy: -144.776
flat angles P-C4'-P energy: -102.328
tors. eta vs tors. theta energy: -182.713
Dist. restrs. and SS energy: 2.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -2071.585802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.585802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.864388 (E_RNA)
where:
Base-Base interactions energy: -1394.573
where: short stacking energy: -600.329
Base-Backbone interact. energy: 2.046
local terms energy: -681.337921
where:
bonds (distance) C4'-P energy: -124.256
bonds (distance) P-C4' energy: -139.799
flat angles C4'-P-C4' energy: -152.436
flat angles P-C4'-P energy: -99.594
tors. eta vs tors. theta energy: -165.254
Dist. restrs. and SS energy: 2.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -1936.374130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.374130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.743767 (E_RNA)
where:
Base-Base interactions energy: -1316.848
where: short stacking energy: -569.506
Base-Backbone interact. energy: 0.611
local terms energy: -623.506714
where:
bonds (distance) C4'-P energy: -116.225
bonds (distance) P-C4' energy: -140.745
flat angles C4'-P-C4' energy: -145.488
flat angles P-C4'-P energy: -75.811
tors. eta vs tors. theta energy: -145.238
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: 9, replica: 8
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -1912.878514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.878514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.068298 (E_RNA)
where:
Base-Base interactions energy: -1260.392
where: short stacking energy: -535.637
Base-Backbone interact. energy: 0.648
local terms energy: -656.324457
where:
bonds (distance) C4'-P energy: -134.758
bonds (distance) P-C4' energy: -142.549
flat angles C4'-P-C4' energy: -139.713
flat angles P-C4'-P energy: -108.726
tors. eta vs tors. theta energy: -130.579
Dist. restrs. and SS energy: 3.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -1832.307878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.307878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.122110 (E_RNA)
where:
Base-Base interactions energy: -1214.064
where: short stacking energy: -516.985
Base-Backbone interact. energy: -5.382
local terms energy: -624.676105
where:
bonds (distance) C4'-P energy: -140.981
bonds (distance) P-C4' energy: -123.822
flat angles C4'-P-C4' energy: -139.455
flat angles P-C4'-P energy: -104.592
tors. eta vs tors. theta energy: -115.827
Dist. restrs. and SS energy: 11.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -2924.486463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2924.486463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2925.744707 (E_RNA)
where:
Base-Base interactions energy: -2031.730
where: short stacking energy: -831.173
Base-Backbone interact. energy: 0.057
local terms energy: -894.071263
where:
bonds (distance) C4'-P energy: -171.533
bonds (distance) P-C4' energy: -162.715
flat angles C4'-P-C4' energy: -194.021
flat angles P-C4'-P energy: -134.848
tors. eta vs tors. theta energy: -230.954
Dist. restrs. and SS energy: 1.258 (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: 4
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -2733.960441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.960441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.563726 (E_RNA)
where:
Base-Base interactions energy: -1889.114
where: short stacking energy: -789.898
Base-Backbone interact. energy: 0.309
local terms energy: -847.759368
where:
bonds (distance) C4'-P energy: -167.803
bonds (distance) P-C4' energy: -142.726
flat angles C4'-P-C4' energy: -187.072
flat angles P-C4'-P energy: -114.144
tors. eta vs tors. theta energy: -236.015
Dist. restrs. and SS energy: 2.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -2561.249853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.249853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.415103 (E_RNA)
where:
Base-Base interactions energy: -1778.627
where: short stacking energy: -763.011
Base-Backbone interact. energy: -0.662
local terms energy: -784.126361
where:
bonds (distance) C4'-P energy: -135.298
bonds (distance) P-C4' energy: -136.149
flat angles C4'-P-C4' energy: -183.557
flat angles P-C4'-P energy: -118.558
tors. eta vs tors. theta energy: -210.565
Dist. restrs. and SS energy: 2.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -2338.337805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.337805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.452718 (E_RNA)
where:
Base-Base interactions energy: -1572.288
where: short stacking energy: -685.751
Base-Backbone interact. energy: 0.503
local terms energy: -768.667776
where:
bonds (distance) C4'-P energy: -142.583
bonds (distance) P-C4' energy: -133.931
flat angles C4'-P-C4' energy: -179.459
flat angles P-C4'-P energy: -126.461
tors. eta vs tors. theta energy: -186.234
Dist. restrs. and SS energy: 2.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -2330.975487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.975487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.981400 (E_RNA)
where:
Base-Base interactions energy: -1578.322
where: short stacking energy: -689.278
Base-Backbone interact. energy: 1.631
local terms energy: -757.291135
where:
bonds (distance) C4'-P energy: -153.378
bonds (distance) P-C4' energy: -151.991
flat angles C4'-P-C4' energy: -153.969
flat angles P-C4'-P energy: -100.280
tors. eta vs tors. theta energy: -197.672
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: 6, replica: 3
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -2259.923022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.923022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.013589 (E_RNA)
where:
Base-Base interactions energy: -1520.967
where: short stacking energy: -663.329
Base-Backbone interact. energy: -2.975
local terms energy: -739.071885
where:
bonds (distance) C4'-P energy: -158.147
bonds (distance) P-C4' energy: -131.764
flat angles C4'-P-C4' energy: -146.177
flat angles P-C4'-P energy: -100.340
tors. eta vs tors. theta energy: -202.645
Dist. restrs. and SS energy: 3.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -2097.263075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.263075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.623265 (E_RNA)
where:
Base-Base interactions energy: -1436.961
where: short stacking energy: -626.662
Base-Backbone interact. energy: 0.388
local terms energy: -662.050323
where:
bonds (distance) C4'-P energy: -121.231
bonds (distance) P-C4' energy: -120.441
flat angles C4'-P-C4' energy: -151.793
flat angles P-C4'-P energy: -91.928
tors. eta vs tors. theta energy: -176.657
Dist. restrs. and SS energy: 1.360 (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: 10
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -2011.378057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.378057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.600814 (E_RNA)
where:
Base-Base interactions energy: -1341.198
where: short stacking energy: -580.355
Base-Backbone interact. energy: -1.841
local terms energy: -670.562172
where:
bonds (distance) C4'-P energy: -127.090
bonds (distance) P-C4' energy: -139.220
flat angles C4'-P-C4' energy: -148.410
flat angles P-C4'-P energy: -100.310
tors. eta vs tors. theta energy: -155.532
Dist. restrs. and SS energy: 2.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -1886.108267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.108267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.909126 (E_RNA)
where:
Base-Base interactions energy: -1298.408
where: short stacking energy: -540.568
Base-Backbone interact. energy: -3.313
local terms energy: -586.188893
where:
bonds (distance) C4'-P energy: -119.363
bonds (distance) P-C4' energy: -116.930
flat angles C4'-P-C4' energy: -142.730
flat angles P-C4'-P energy: -72.417
tors. eta vs tors. theta energy: -134.750
Dist. restrs. and SS energy: 1.801 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -1809.633653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.633653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.745377 (E_RNA)
where:
Base-Base interactions energy: -1212.436
where: short stacking energy: -506.436
Base-Backbone interact. energy: 0.518
local terms energy: -602.827092
where:
bonds (distance) C4'-P energy: -120.153
bonds (distance) P-C4' energy: -135.702
flat angles C4'-P-C4' energy: -141.438
flat angles P-C4'-P energy: -86.021
tors. eta vs tors. theta energy: -119.513
Dist. restrs. and SS energy: 5.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -2939.507625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2939.507625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2940.970347 (E_RNA)
where:
Base-Base interactions energy: -2070.570
where: short stacking energy: -848.309
Base-Backbone interact. energy: 0.040
local terms energy: -870.439456
where:
bonds (distance) C4'-P energy: -177.545
bonds (distance) P-C4' energy: -154.466
flat angles C4'-P-C4' energy: -172.379
flat angles P-C4'-P energy: -127.178
tors. eta vs tors. theta energy: -238.872
Dist. restrs. and SS energy: 1.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -2716.067455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.067455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.836889 (E_RNA)
where:
Base-Base interactions energy: -1880.338
where: short stacking energy: -799.225
Base-Backbone interact. energy: -2.200
local terms energy: -836.298414
where:
bonds (distance) C4'-P energy: -152.842
bonds (distance) P-C4' energy: -144.843
flat angles C4'-P-C4' energy: -187.960
flat angles P-C4'-P energy: -119.808
tors. eta vs tors. theta energy: -230.845
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: 3, replica: 7
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -2576.531897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.531897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.671511 (E_RNA)
where:
Base-Base interactions energy: -1771.617
where: short stacking energy: -750.794
Base-Backbone interact. energy: -4.464
local terms energy: -801.590581
where:
bonds (distance) C4'-P energy: -152.607
bonds (distance) P-C4' energy: -141.487
flat angles C4'-P-C4' energy: -181.400
flat angles P-C4'-P energy: -111.895
tors. eta vs tors. theta energy: -214.202
Dist. restrs. and SS energy: 1.140 (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: 6
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -2435.954426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.954426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.866972 (E_RNA)
where:
Base-Base interactions energy: -1606.765
where: short stacking energy: -742.168
Base-Backbone interact. energy: -1.704
local terms energy: -829.398044
where:
bonds (distance) C4'-P energy: -149.583
bonds (distance) P-C4' energy: -162.861
flat angles C4'-P-C4' energy: -183.265
flat angles P-C4'-P energy: -120.955
tors. eta vs tors. theta energy: -212.733
Dist. restrs. and SS energy: 1.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -2309.905164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.905164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.141795 (E_RNA)
where:
Base-Base interactions energy: -1548.941
where: short stacking energy: -664.653
Base-Backbone interact. energy: -4.495
local terms energy: -757.705796
where:
bonds (distance) C4'-P energy: -151.310
bonds (distance) P-C4' energy: -134.834
flat angles C4'-P-C4' energy: -178.914
flat angles P-C4'-P energy: -95.819
tors. eta vs tors. theta energy: -196.828
Dist. restrs. and SS energy: 1.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -2226.140068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.140068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.407313 (E_RNA)
where:
Base-Base interactions energy: -1487.660
where: short stacking energy: -663.697
Base-Backbone interact. energy: -2.224
local terms energy: -738.523146
where:
bonds (distance) C4'-P energy: -148.760
bonds (distance) P-C4' energy: -146.462
flat angles C4'-P-C4' energy: -156.778
flat angles P-C4'-P energy: -103.549
tors. eta vs tors. theta energy: -182.974
Dist. restrs. and SS energy: 2.267 (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: 10
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -2107.423993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.423993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.101560 (E_RNA)
where:
Base-Base interactions energy: -1413.484
where: short stacking energy: -614.420
Base-Backbone interact. energy: 5.343
local terms energy: -700.960993
where:
bonds (distance) C4'-P energy: -144.823
bonds (distance) P-C4' energy: -141.125
flat angles C4'-P-C4' energy: -149.432
flat angles P-C4'-P energy: -106.961
tors. eta vs tors. theta energy: -158.620
Dist. restrs. and SS energy: 1.678 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -2052.665893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.665893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.004858 (E_RNA)
where:
Base-Base interactions energy: -1376.945
where: short stacking energy: -600.033
Base-Backbone interact. energy: 7.962
local terms energy: -686.021469
where:
bonds (distance) C4'-P energy: -133.627
bonds (distance) P-C4' energy: -127.007
flat angles C4'-P-C4' energy: -154.638
flat angles P-C4'-P energy: -96.161
tors. eta vs tors. theta energy: -174.588
Dist. restrs. and SS energy: 2.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -1886.663323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.663323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.015049 (E_RNA)
where:
Base-Base interactions energy: -1264.693
where: short stacking energy: -524.965
Base-Backbone interact. energy: -3.232
local terms energy: -627.090581
where:
bonds (distance) C4'-P energy: -131.913
bonds (distance) P-C4' energy: -142.173
flat angles C4'-P-C4' energy: -141.062
flat angles P-C4'-P energy: -76.493
tors. eta vs tors. theta energy: -135.451
Dist. restrs. and SS energy: 8.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -1766.354499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.354499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.610646 (E_RNA)
where:
Base-Base interactions energy: -1209.145
where: short stacking energy: -508.113
Base-Backbone interact. energy: -0.777
local terms energy: -562.689182
where:
bonds (distance) C4'-P energy: -115.473
bonds (distance) P-C4' energy: -129.421
flat angles C4'-P-C4' energy: -128.944
flat angles P-C4'-P energy: -78.336
tors. eta vs tors. theta energy: -110.516
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: 1, replica: 9
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -2903.666944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2903.666944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2905.285108 (E_RNA)
where:
Base-Base interactions energy: -2038.737
where: short stacking energy: -801.528
Base-Backbone interact. energy: -1.256
local terms energy: -865.292571
where:
bonds (distance) C4'-P energy: -163.233
bonds (distance) P-C4' energy: -170.968
flat angles C4'-P-C4' energy: -184.415
flat angles P-C4'-P energy: -113.416
tors. eta vs tors. theta energy: -233.261
Dist. restrs. and SS energy: 1.618 (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: 4
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -2713.304505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.304505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.406511 (E_RNA)
where:
Base-Base interactions energy: -1879.713
where: short stacking energy: -798.910
Base-Backbone interact. energy: -1.825
local terms energy: -833.868425
where:
bonds (distance) C4'-P energy: -146.402
bonds (distance) P-C4' energy: -158.681
flat angles C4'-P-C4' energy: -181.122
flat angles P-C4'-P energy: -122.480
tors. eta vs tors. theta energy: -225.184
Dist. restrs. and SS energy: 2.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -2593.313826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.313826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.297153 (E_RNA)
where:
Base-Base interactions energy: -1786.294
where: short stacking energy: -756.019
Base-Backbone interact. energy: -2.414
local terms energy: -807.589376
where:
bonds (distance) C4'-P energy: -156.133
bonds (distance) P-C4' energy: -158.358
flat angles C4'-P-C4' energy: -164.908
flat angles P-C4'-P energy: -110.299
tors. eta vs tors. theta energy: -217.892
Dist. restrs. and SS energy: 2.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -2463.297875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.297875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.524491 (E_RNA)
where:
Base-Base interactions energy: -1629.184
where: short stacking energy: -733.641
Base-Backbone interact. energy: -0.311
local terms energy: -837.029323
where:
bonds (distance) C4'-P energy: -151.191
bonds (distance) P-C4' energy: -149.013
flat angles C4'-P-C4' energy: -177.715
flat angles P-C4'-P energy: -128.902
tors. eta vs tors. theta energy: -230.208
Dist. restrs. and SS energy: 3.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -2312.753693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.753693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.913419 (E_RNA)
where:
Base-Base interactions energy: -1564.040
where: short stacking energy: -686.183
Base-Backbone interact. energy: -0.886
local terms energy: -749.987670
where:
bonds (distance) C4'-P energy: -146.419
bonds (distance) P-C4' energy: -144.714
flat angles C4'-P-C4' energy: -149.015
flat angles P-C4'-P energy: -110.270
tors. eta vs tors. theta energy: -199.570
Dist. restrs. and SS energy: 2.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -2230.365431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.365431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.607875 (E_RNA)
where:
Base-Base interactions energy: -1508.061
where: short stacking energy: -660.429
Base-Backbone interact. energy: -0.352
local terms energy: -725.194247
where:
bonds (distance) C4'-P energy: -138.066
bonds (distance) P-C4' energy: -136.823
flat angles C4'-P-C4' energy: -154.800
flat angles P-C4'-P energy: -104.178
tors. eta vs tors. theta energy: -191.327
Dist. restrs. and SS energy: 3.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -2060.668646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.668646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.748908 (E_RNA)
where:
Base-Base interactions energy: -1407.193
where: short stacking energy: -579.911
Base-Backbone interact. energy: -2.148
local terms energy: -653.408097
where:
bonds (distance) C4'-P energy: -100.160
bonds (distance) P-C4' energy: -133.280
flat angles C4'-P-C4' energy: -153.093
flat angles P-C4'-P energy: -104.191
tors. eta vs tors. theta energy: -162.684
Dist. restrs. and SS energy: 2.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -1973.031372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.031372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.211023 (E_RNA)
where:
Base-Base interactions energy: -1365.592
where: short stacking energy: -577.663
Base-Backbone interact. energy: -2.656
local terms energy: -606.962579
where:
bonds (distance) C4'-P energy: -110.717
bonds (distance) P-C4' energy: -131.896
flat angles C4'-P-C4' energy: -145.474
flat angles P-C4'-P energy: -82.439
tors. eta vs tors. theta energy: -136.437
Dist. restrs. and SS energy: 2.180 (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: 8
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -1949.529185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.529185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.104136 (E_RNA)
where:
Base-Base interactions energy: -1320.112
where: short stacking energy: -578.701
Base-Backbone interact. energy: 3.216
local terms energy: -638.208688
where:
bonds (distance) C4'-P energy: -132.698
bonds (distance) P-C4' energy: -140.855
flat angles C4'-P-C4' energy: -144.414
flat angles P-C4'-P energy: -75.670
tors. eta vs tors. theta energy: -144.572
Dist. restrs. and SS energy: 5.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -1784.620463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.620463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.338431 (E_RNA)
where:
Base-Base interactions energy: -1231.346
where: short stacking energy: -506.507
Base-Backbone interact. energy: 0.737
local terms energy: -564.729602
where:
bonds (distance) C4'-P energy: -113.747
bonds (distance) P-C4' energy: -126.910
flat angles C4'-P-C4' energy: -128.108
flat angles P-C4'-P energy: -82.995
tors. eta vs tors. theta energy: -112.970
Dist. restrs. and SS energy: 10.718 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -2919.603284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2919.603284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2920.741845 (E_RNA)
where:
Base-Base interactions energy: -2058.360
where: short stacking energy: -817.506
Base-Backbone interact. energy: 3.712
local terms energy: -866.093241
where:
bonds (distance) C4'-P energy: -160.976
bonds (distance) P-C4' energy: -155.627
flat angles C4'-P-C4' energy: -188.732
flat angles P-C4'-P energy: -125.343
tors. eta vs tors. theta energy: -235.416
Dist. restrs. and SS energy: 1.139 (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: 4
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -2712.528962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.528962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.809613 (E_RNA)
where:
Base-Base interactions energy: -1872.649
where: short stacking energy: -784.879
Base-Backbone interact. energy: -0.356
local terms energy: -841.803917
where:
bonds (distance) C4'-P energy: -158.501
bonds (distance) P-C4' energy: -166.594
flat angles C4'-P-C4' energy: -174.497
flat angles P-C4'-P energy: -111.795
tors. eta vs tors. theta energy: -230.416
Dist. restrs. and SS energy: 2.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -2576.619308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.619308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.030809 (E_RNA)
where:
Base-Base interactions energy: -1802.857
where: short stacking energy: -767.001
Base-Backbone interact. energy: -1.194
local terms energy: -774.979554
where:
bonds (distance) C4'-P energy: -150.496
bonds (distance) P-C4' energy: -139.013
flat angles C4'-P-C4' energy: -171.612
flat angles P-C4'-P energy: -101.875
tors. eta vs tors. theta energy: -211.983
Dist. restrs. and SS energy: 2.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -2406.223984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.223984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.501052 (E_RNA)
where:
Base-Base interactions energy: -1636.127
where: short stacking energy: -722.545
Base-Backbone interact. energy: 0.195
local terms energy: -771.569175
where:
bonds (distance) C4'-P energy: -143.056
bonds (distance) P-C4' energy: -146.705
flat angles C4'-P-C4' energy: -173.667
flat angles P-C4'-P energy: -103.989
tors. eta vs tors. theta energy: -204.152
Dist. restrs. and SS energy: 1.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -2263.286428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.286428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.141587 (E_RNA)
where:
Base-Base interactions energy: -1518.293
where: short stacking energy: -671.624
Base-Backbone interact. energy: 1.422
local terms energy: -748.270328
where:
bonds (distance) C4'-P energy: -155.234
bonds (distance) P-C4' energy: -146.416
flat angles C4'-P-C4' energy: -165.420
flat angles P-C4'-P energy: -93.304
tors. eta vs tors. theta energy: -187.896
Dist. restrs. and SS energy: 1.855 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -2167.109756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.109756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.801396 (E_RNA)
where:
Base-Base interactions energy: -1470.285
where: short stacking energy: -607.710
Base-Backbone interact. energy: -3.440
local terms energy: -695.076180
where:
bonds (distance) C4'-P energy: -130.641
bonds (distance) P-C4' energy: -152.705
flat angles C4'-P-C4' energy: -144.399
flat angles P-C4'-P energy: -100.126
tors. eta vs tors. theta energy: -167.205
Dist. restrs. and SS energy: 1.692 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -2067.176217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.176217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.415794 (E_RNA)
where:
Base-Base interactions energy: -1386.367
where: short stacking energy: -593.629
Base-Backbone interact. energy: -2.686
local terms energy: -680.362552
where:
bonds (distance) C4'-P energy: -135.993
bonds (distance) P-C4' energy: -154.266
flat angles C4'-P-C4' energy: -146.962
flat angles P-C4'-P energy: -93.087
tors. eta vs tors. theta energy: -150.055
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: 8, replica: 1
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -1967.210727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.210727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.994731 (E_RNA)
where:
Base-Base interactions energy: -1324.572
where: short stacking energy: -556.946
Base-Backbone interact. energy: 1.079
local terms energy: -647.501340
where:
bonds (distance) C4'-P energy: -118.765
bonds (distance) P-C4' energy: -112.608
flat angles C4'-P-C4' energy: -160.875
flat angles P-C4'-P energy: -112.944
tors. eta vs tors. theta energy: -142.309
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: 9, replica: 8
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -1936.935432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.935432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.419103 (E_RNA)
where:
Base-Base interactions energy: -1306.912
where: short stacking energy: -557.153
Base-Backbone interact. energy: 1.141
local terms energy: -633.648446
where:
bonds (distance) C4'-P energy: -137.390
bonds (distance) P-C4' energy: -131.565
flat angles C4'-P-C4' energy: -134.225
flat angles P-C4'-P energy: -91.659
tors. eta vs tors. theta energy: -138.809
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: 10, replica: 5
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -1850.434683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.434683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.386633 (E_RNA)
where:
Base-Base interactions energy: -1281.388
where: short stacking energy: -519.293
Base-Backbone interact. energy: 0.334
local terms energy: -577.333283
where:
bonds (distance) C4'-P energy: -103.071
bonds (distance) P-C4' energy: -122.512
flat angles C4'-P-C4' energy: -129.669
flat angles P-C4'-P energy: -92.197
tors. eta vs tors. theta energy: -129.884
Dist. restrs. and SS energy: 7.952 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -2920.882622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2920.882622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2922.391671 (E_RNA)
where:
Base-Base interactions energy: -2049.679
where: short stacking energy: -832.454
Base-Backbone interact. energy: 4.559
local terms energy: -877.270903
where:
bonds (distance) C4'-P energy: -154.772
bonds (distance) P-C4' energy: -170.540
flat angles C4'-P-C4' energy: -193.423
flat angles P-C4'-P energy: -127.989
tors. eta vs tors. theta energy: -230.547
Dist. restrs. and SS energy: 1.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -2736.168975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.168975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.437456 (E_RNA)
where:
Base-Base interactions energy: -1891.202
where: short stacking energy: -805.220
Base-Backbone interact. energy: -1.098
local terms energy: -845.137113
where:
bonds (distance) C4'-P energy: -157.779
bonds (distance) P-C4' energy: -157.122
flat angles C4'-P-C4' energy: -192.060
flat angles P-C4'-P energy: -119.536
tors. eta vs tors. theta energy: -218.640
Dist. restrs. and SS energy: 1.268 (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: 7
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -2599.926132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.926132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.358892 (E_RNA)
where:
Base-Base interactions energy: -1797.752
where: short stacking energy: -749.054
Base-Backbone interact. energy: 2.465
local terms energy: -807.071734
where:
bonds (distance) C4'-P energy: -156.900
bonds (distance) P-C4' energy: -143.845
flat angles C4'-P-C4' energy: -171.391
flat angles P-C4'-P energy: -110.491
tors. eta vs tors. theta energy: -224.446
Dist. restrs. and SS energy: 2.433 (S_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: 123
Temperature: 1.050000
Total energy: -2409.613371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.613371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.497594 (E_RNA)
where:
Base-Base interactions energy: -1620.084
where: short stacking energy: -722.384
Base-Backbone interact. energy: -1.549
local terms energy: -790.864793
where:
bonds (distance) C4'-P energy: -125.079
bonds (distance) P-C4' energy: -168.738
flat angles C4'-P-C4' energy: -160.201
flat angles P-C4'-P energy: -116.079
tors. eta vs tors. theta energy: -220.767
Dist. restrs. and SS energy: 2.884 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -2289.917803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.917803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.767152 (E_RNA)
where:
Base-Base interactions energy: -1534.473
where: short stacking energy: -678.755
Base-Backbone interact. energy: -2.800
local terms energy: -754.493970
where:
bonds (distance) C4'-P energy: -119.375
bonds (distance) P-C4' energy: -168.690
flat angles C4'-P-C4' energy: -159.814
flat angles P-C4'-P energy: -107.516
tors. eta vs tors. theta energy: -199.100
Dist. restrs. and SS energy: 1.849 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -2160.059564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.059564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.871190 (E_RNA)
where:
Base-Base interactions energy: -1409.645
where: short stacking energy: -615.880
Base-Backbone interact. energy: 1.328
local terms energy: -754.554113
where:
bonds (distance) C4'-P energy: -154.282
bonds (distance) P-C4' energy: -138.689
flat angles C4'-P-C4' energy: -175.008
flat angles P-C4'-P energy: -109.806
tors. eta vs tors. theta energy: -176.770
Dist. restrs. and SS energy: 2.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -2087.190784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.190784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.344710 (E_RNA)
where:
Base-Base interactions energy: -1393.937
where: short stacking energy: -589.545
Base-Backbone interact. energy: -3.491
local terms energy: -691.916685
where:
bonds (distance) C4'-P energy: -138.950
bonds (distance) P-C4' energy: -130.193
flat angles C4'-P-C4' energy: -155.929
flat angles P-C4'-P energy: -96.443
tors. eta vs tors. theta energy: -170.402
Dist. restrs. and SS energy: 2.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -2027.055580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.055580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.296148 (E_RNA)
where:
Base-Base interactions energy: -1393.229
where: short stacking energy: -598.029
Base-Backbone interact. energy: -4.760
local terms energy: -630.307783
where:
bonds (distance) C4'-P energy: -128.843
bonds (distance) P-C4' energy: -123.968
flat angles C4'-P-C4' energy: -139.378
flat angles P-C4'-P energy: -81.139
tors. eta vs tors. theta energy: -156.980
Dist. restrs. and SS energy: 1.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -1854.078875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.078875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.966485 (E_RNA)
where:
Base-Base interactions energy: -1272.382
where: short stacking energy: -541.801
Base-Backbone interact. energy: 0.239
local terms energy: -585.823719
where:
bonds (distance) C4'-P energy: -117.973
bonds (distance) P-C4' energy: -135.401
flat angles C4'-P-C4' energy: -128.995
flat angles P-C4'-P energy: -72.139
tors. eta vs tors. theta energy: -131.316
Dist. restrs. and SS energy: 3.888 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -1848.440181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.440181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.874378 (E_RNA)
where:
Base-Base interactions energy: -1242.505
where: short stacking energy: -536.999
Base-Backbone interact. energy: -2.369
local terms energy: -613.001205
where:
bonds (distance) C4'-P energy: -128.488
bonds (distance) P-C4' energy: -132.517
flat angles C4'-P-C4' energy: -146.568
flat angles P-C4'-P energy: -81.411
tors. eta vs tors. theta energy: -124.017
Dist. restrs. and SS energy: 9.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -2915.960029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2915.960029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2917.331534 (E_RNA)
where:
Base-Base interactions energy: -2030.175
where: short stacking energy: -861.588
Base-Backbone interact. energy: 4.621
local terms energy: -891.778061
where:
bonds (distance) C4'-P energy: -174.238
bonds (distance) P-C4' energy: -160.997
flat angles C4'-P-C4' energy: -182.074
flat angles P-C4'-P energy: -120.643
tors. eta vs tors. theta energy: -253.826
Dist. restrs. and SS energy: 1.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -2698.810544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.810544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.396884 (E_RNA)
where:
Base-Base interactions energy: -1852.109
where: short stacking energy: -811.291
Base-Backbone interact. energy: -2.988
local terms energy: -845.299852
where:
bonds (distance) C4'-P energy: -137.424
bonds (distance) P-C4' energy: -155.286
flat angles C4'-P-C4' energy: -189.120
flat angles P-C4'-P energy: -144.031
tors. eta vs tors. theta energy: -219.440
Dist. restrs. and SS energy: 1.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -2577.799129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.799129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.635109 (E_RNA)
where:
Base-Base interactions energy: -1761.726
where: short stacking energy: -736.996
Base-Backbone interact. energy: -0.859
local terms energy: -818.049901
where:
bonds (distance) C4'-P energy: -151.931
bonds (distance) P-C4' energy: -158.396
flat angles C4'-P-C4' energy: -181.471
flat angles P-C4'-P energy: -119.278
tors. eta vs tors. theta energy: -206.973
Dist. restrs. and SS energy: 2.836 (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: 6
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -2386.364259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.364259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.201099 (E_RNA)
where:
Base-Base interactions energy: -1601.514
where: short stacking energy: -713.092
Base-Backbone interact. energy: 3.871
local terms energy: -789.558446
where:
bonds (distance) C4'-P energy: -137.242
bonds (distance) P-C4' energy: -156.152
flat angles C4'-P-C4' energy: -159.886
flat angles P-C4'-P energy: -113.041
tors. eta vs tors. theta energy: -223.238
Dist. restrs. and SS energy: 0.837 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -2327.113686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.113686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.818313 (E_RNA)
where:
Base-Base interactions energy: -1547.821
where: short stacking energy: -690.384
Base-Backbone interact. energy: -3.417
local terms energy: -777.581026
where:
bonds (distance) C4'-P energy: -140.703
bonds (distance) P-C4' energy: -158.138
flat angles C4'-P-C4' energy: -173.653
flat angles P-C4'-P energy: -112.775
tors. eta vs tors. theta energy: -192.313
Dist. restrs. and SS energy: 1.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -2173.021599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.021599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.768159 (E_RNA)
where:
Base-Base interactions energy: -1436.613
where: short stacking energy: -616.038
Base-Backbone interact. energy: 0.908
local terms energy: -740.063973
where:
bonds (distance) C4'-P energy: -123.061
bonds (distance) P-C4' energy: -149.109
flat angles C4'-P-C4' energy: -175.273
flat angles P-C4'-P energy: -107.397
tors. eta vs tors. theta energy: -185.223
Dist. restrs. and SS energy: 2.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -2152.635235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.635235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.432604 (E_RNA)
where:
Base-Base interactions energy: -1435.506
where: short stacking energy: -638.193
Base-Backbone interact. energy: -1.543
local terms energy: -717.383464
where:
bonds (distance) C4'-P energy: -128.625
bonds (distance) P-C4' energy: -149.978
flat angles C4'-P-C4' energy: -155.811
flat angles P-C4'-P energy: -101.425
tors. eta vs tors. theta energy: -181.545
Dist. restrs. and SS energy: 1.797 (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: 1
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -1999.022489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.022489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.281073 (E_RNA)
where:
Base-Base interactions energy: -1336.614
where: short stacking energy: -551.897
Base-Backbone interact. energy: 1.465
local terms energy: -668.132389
where:
bonds (distance) C4'-P energy: -135.067
bonds (distance) P-C4' energy: -150.904
flat angles C4'-P-C4' energy: -145.916
flat angles P-C4'-P energy: -86.131
tors. eta vs tors. theta energy: -150.114
Dist. restrs. and SS energy: 4.259 (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: 8
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -1933.106813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.106813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.113200 (E_RNA)
where:
Base-Base interactions energy: -1328.124
where: short stacking energy: -557.683
Base-Backbone interact. energy: 2.966
local terms energy: -615.955314
where:
bonds (distance) C4'-P energy: -114.131
bonds (distance) P-C4' energy: -123.490
flat angles C4'-P-C4' energy: -139.582
flat angles P-C4'-P energy: -97.306
tors. eta vs tors. theta energy: -141.447
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: 10, replica: 5
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -1824.783881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.783881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.748658 (E_RNA)
where:
Base-Base interactions energy: -1244.572
where: short stacking energy: -515.762
Base-Backbone interact. energy: -2.230
local terms energy: -580.946571
where:
bonds (distance) C4'-P energy: -134.245
bonds (distance) P-C4' energy: -118.475
flat angles C4'-P-C4' energy: -141.213
flat angles P-C4'-P energy: -68.553
tors. eta vs tors. theta energy: -118.461
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: 1, replica: 9
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -2942.653111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2942.653111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2945.443479 (E_RNA)
where:
Base-Base interactions energy: -2087.046
where: short stacking energy: -858.931
Base-Backbone interact. energy: 1.210
local terms energy: -859.607776
where:
bonds (distance) C4'-P energy: -154.851
bonds (distance) P-C4' energy: -153.365
flat angles C4'-P-C4' energy: -188.537
flat angles P-C4'-P energy: -118.232
tors. eta vs tors. theta energy: -244.621
Dist. restrs. and SS energy: 2.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -2703.934860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.934860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.976712 (E_RNA)
where:
Base-Base interactions energy: -1854.013
where: short stacking energy: -790.765
Base-Backbone interact. energy: -1.337
local terms energy: -850.627396
where:
bonds (distance) C4'-P energy: -168.520
bonds (distance) P-C4' energy: -154.835
flat angles C4'-P-C4' energy: -182.161
flat angles P-C4'-P energy: -131.933
tors. eta vs tors. theta energy: -213.179
Dist. restrs. and SS energy: 2.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -2562.618289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.618289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.766136 (E_RNA)
where:
Base-Base interactions energy: -1770.800
where: short stacking energy: -743.381
Base-Backbone interact. energy: 0.711
local terms energy: -795.677730
where:
bonds (distance) C4'-P energy: -136.394
bonds (distance) P-C4' energy: -159.168
flat angles C4'-P-C4' energy: -168.743
flat angles P-C4'-P energy: -118.982
tors. eta vs tors. theta energy: -212.390
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: 4, replica: 6
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -2391.160019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.160019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.724784 (E_RNA)
where:
Base-Base interactions energy: -1606.860
where: short stacking energy: -732.131
Base-Backbone interact. energy: 3.788
local terms energy: -790.652332
where:
bonds (distance) C4'-P energy: -145.446
bonds (distance) P-C4' energy: -135.863
flat angles C4'-P-C4' energy: -175.796
flat angles P-C4'-P energy: -110.077
tors. eta vs tors. theta energy: -223.469
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: 5, replica: 2
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -2255.049246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.049246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.991773 (E_RNA)
where:
Base-Base interactions energy: -1518.167
where: short stacking energy: -643.539
Base-Backbone interact. energy: -3.057
local terms energy: -735.767924
where:
bonds (distance) C4'-P energy: -135.473
bonds (distance) P-C4' energy: -164.696
flat angles C4'-P-C4' energy: -154.033
flat angles P-C4'-P energy: -88.376
tors. eta vs tors. theta energy: -193.189
Dist. restrs. and SS energy: 1.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -2171.837605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.837605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.009219 (E_RNA)
where:
Base-Base interactions energy: -1452.349
where: short stacking energy: -623.533
Base-Backbone interact. energy: -2.728
local terms energy: -717.931709
where:
bonds (distance) C4'-P energy: -134.551
bonds (distance) P-C4' energy: -150.306
flat angles C4'-P-C4' energy: -154.352
flat angles P-C4'-P energy: -107.311
tors. eta vs tors. theta energy: -171.412
Dist. restrs. and SS energy: 1.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -2095.916540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.916540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.028798 (E_RNA)
where:
Base-Base interactions energy: -1408.070
where: short stacking energy: -612.315
Base-Backbone interact. energy: 6.361
local terms energy: -697.319761
where:
bonds (distance) C4'-P energy: -138.936
bonds (distance) P-C4' energy: -152.199
flat angles C4'-P-C4' energy: -152.441
flat angles P-C4'-P energy: -91.581
tors. eta vs tors. theta energy: -162.162
Dist. restrs. and SS energy: 3.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -1987.587593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.587593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.646594 (E_RNA)
where:
Base-Base interactions energy: -1356.707
where: short stacking energy: -592.697
Base-Backbone interact. energy: -2.322
local terms energy: -634.617987
where:
bonds (distance) C4'-P energy: -114.373
bonds (distance) P-C4' energy: -130.612
flat angles C4'-P-C4' energy: -158.212
flat angles P-C4'-P energy: -92.544
tors. eta vs tors. theta energy: -138.877
Dist. restrs. and SS energy: 6.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -1907.348258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.348258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.860293 (E_RNA)
where:
Base-Base interactions energy: -1287.885
where: short stacking energy: -539.172
Base-Backbone interact. energy: -1.028
local terms energy: -621.947638
where:
bonds (distance) C4'-P energy: -118.216
bonds (distance) P-C4' energy: -141.554
flat angles C4'-P-C4' energy: -151.638
flat angles P-C4'-P energy: -76.433
tors. eta vs tors. theta energy: -134.107
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: 10, replica: 5
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -1841.297900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.297900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.077988 (E_RNA)
where:
Base-Base interactions energy: -1245.988
where: short stacking energy: -538.600
Base-Backbone interact. energy: 1.287
local terms energy: -611.376775
where:
bonds (distance) C4'-P energy: -124.864
bonds (distance) P-C4' energy: -126.748
flat angles C4'-P-C4' energy: -143.580
flat angles P-C4'-P energy: -80.079
tors. eta vs tors. theta energy: -136.106
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: 1, replica: 9
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -2930.681083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2930.681083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2933.008290 (E_RNA)
where:
Base-Base interactions energy: -2056.490
where: short stacking energy: -826.958
Base-Backbone interact. energy: -4.029
local terms energy: -872.489161
where:
bonds (distance) C4'-P energy: -159.279
bonds (distance) P-C4' energy: -165.920
flat angles C4'-P-C4' energy: -179.202
flat angles P-C4'-P energy: -130.305
tors. eta vs tors. theta energy: -237.784
Dist. restrs. and SS energy: 2.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -2701.822427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.822427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.949664 (E_RNA)
where:
Base-Base interactions energy: -1889.734
where: short stacking energy: -791.603
Base-Backbone interact. energy: 5.531
local terms energy: -818.747308
where:
bonds (distance) C4'-P energy: -150.807
bonds (distance) P-C4' energy: -143.173
flat angles C4'-P-C4' energy: -176.842
flat angles P-C4'-P energy: -131.856
tors. eta vs tors. theta energy: -216.068
Dist. restrs. and SS energy: 1.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -2632.378378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.378378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.073361 (E_RNA)
where:
Base-Base interactions energy: -1801.979
where: short stacking energy: -778.552
Base-Backbone interact. energy: -0.720
local terms energy: -833.374946
where:
bonds (distance) C4'-P energy: -155.719
bonds (distance) P-C4' energy: -161.787
flat angles C4'-P-C4' energy: -175.362
flat angles P-C4'-P energy: -120.065
tors. eta vs tors. theta energy: -220.442
Dist. restrs. and SS energy: 3.695 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -2391.390057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.390057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.970168 (E_RNA)
where:
Base-Base interactions energy: -1642.394
where: short stacking energy: -748.360
Base-Backbone interact. energy: -1.349
local terms energy: -749.227030
where:
bonds (distance) C4'-P energy: -128.335
bonds (distance) P-C4' energy: -157.922
flat angles C4'-P-C4' energy: -156.682
flat angles P-C4'-P energy: -96.923
tors. eta vs tors. theta energy: -209.364
Dist. restrs. and SS energy: 1.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -2384.496268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.496268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.582581 (E_RNA)
where:
Base-Base interactions energy: -1612.170
where: short stacking energy: -692.649
Base-Backbone interact. energy: -3.816
local terms energy: -771.597379
where:
bonds (distance) C4'-P energy: -138.692
bonds (distance) P-C4' energy: -162.362
flat angles C4'-P-C4' energy: -171.807
flat angles P-C4'-P energy: -99.218
tors. eta vs tors. theta energy: -199.518
Dist. restrs. and SS energy: 3.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -2172.012001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.012001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.349201 (E_RNA)
where:
Base-Base interactions energy: -1445.207
where: short stacking energy: -637.750
Base-Backbone interact. energy: -2.719
local terms energy: -725.424079
where:
bonds (distance) C4'-P energy: -148.381
bonds (distance) P-C4' energy: -142.604
flat angles C4'-P-C4' energy: -150.600
flat angles P-C4'-P energy: -98.779
tors. eta vs tors. theta energy: -185.061
Dist. restrs. and SS energy: 1.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -2096.014369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.014369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.761512 (E_RNA)
where:
Base-Base interactions energy: -1395.563
where: short stacking energy: -603.509
Base-Backbone interact. energy: 2.475
local terms energy: -704.673095
where:
bonds (distance) C4'-P energy: -137.326
bonds (distance) P-C4' energy: -164.240
flat angles C4'-P-C4' energy: -160.539
flat angles P-C4'-P energy: -85.627
tors. eta vs tors. theta energy: -156.941
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: 8, replica: 1
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -1980.034874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.034874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.127733 (E_RNA)
where:
Base-Base interactions energy: -1358.538
where: short stacking energy: -559.081
Base-Backbone interact. energy: -4.403
local terms energy: -619.187480
where:
bonds (distance) C4'-P energy: -119.049
bonds (distance) P-C4' energy: -132.885
flat angles C4'-P-C4' energy: -139.109
flat angles P-C4'-P energy: -91.137
tors. eta vs tors. theta energy: -137.008
Dist. restrs. and SS energy: 2.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -1881.088396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.088396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.849557 (E_RNA)
where:
Base-Base interactions energy: -1287.837
where: short stacking energy: -541.144
Base-Backbone interact. energy: 0.241
local terms energy: -604.253317
where:
bonds (distance) C4'-P energy: -115.688
bonds (distance) P-C4' energy: -132.628
flat angles C4'-P-C4' energy: -138.915
flat angles P-C4'-P energy: -83.137
tors. eta vs tors. theta energy: -133.886
Dist. restrs. and SS energy: 10.761 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -1837.197866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.197866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.918071 (E_RNA)
where:
Base-Base interactions energy: -1277.580
where: short stacking energy: -538.191
Base-Backbone interact. energy: -2.942
local terms energy: -561.396206
where:
bonds (distance) C4'-P energy: -113.050
bonds (distance) P-C4' energy: -128.418
flat angles C4'-P-C4' energy: -136.640
flat angles P-C4'-P energy: -56.317
tors. eta vs tors. theta energy: -126.972
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: 1, replica: 9
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -2873.420866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2873.420866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2876.050103 (E_RNA)
where:
Base-Base interactions energy: -2004.617
where: short stacking energy: -842.959
Base-Backbone interact. energy: -1.127
local terms energy: -870.305724
where:
bonds (distance) C4'-P energy: -147.288
bonds (distance) P-C4' energy: -158.612
flat angles C4'-P-C4' energy: -189.024
flat angles P-C4'-P energy: -137.109
tors. eta vs tors. theta energy: -238.273
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: 4
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -2730.674367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.674367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.709988 (E_RNA)
where:
Base-Base interactions energy: -1867.257
where: short stacking energy: -773.496
Base-Backbone interact. energy: -0.735
local terms energy: -864.717846
where:
bonds (distance) C4'-P energy: -149.603
bonds (distance) P-C4' energy: -168.123
flat angles C4'-P-C4' energy: -195.601
flat angles P-C4'-P energy: -125.808
tors. eta vs tors. theta energy: -225.584
Dist. restrs. and SS energy: 2.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -2582.373449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.373449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.585770 (E_RNA)
where:
Base-Base interactions energy: -1777.403
where: short stacking energy: -757.904
Base-Backbone interact. energy: 5.965
local terms energy: -813.148457
where:
bonds (distance) C4'-P energy: -157.746
bonds (distance) P-C4' energy: -149.910
flat angles C4'-P-C4' energy: -177.191
flat angles P-C4'-P energy: -120.846
tors. eta vs tors. theta energy: -207.456
Dist. restrs. and SS energy: 2.212 (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: 6
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -2364.704999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.704999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.194619 (E_RNA)
where:
Base-Base interactions energy: -1582.508
where: short stacking energy: -717.081
Base-Backbone interact. energy: -1.604
local terms energy: -783.082841
where:
bonds (distance) C4'-P energy: -147.865
bonds (distance) P-C4' energy: -140.344
flat angles C4'-P-C4' energy: -170.514
flat angles P-C4'-P energy: -118.153
tors. eta vs tors. theta energy: -206.207
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: 5, replica: 2
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -2312.750835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.750835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.646997 (E_RNA)
where:
Base-Base interactions energy: -1554.490
where: short stacking energy: -695.617
Base-Backbone interact. energy: -1.346
local terms energy: -758.811688
where:
bonds (distance) C4'-P energy: -144.294
bonds (distance) P-C4' energy: -154.527
flat angles C4'-P-C4' energy: -162.229
flat angles P-C4'-P energy: -99.205
tors. eta vs tors. theta energy: -198.557
Dist. restrs. and SS energy: 1.896 (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: 10
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -2153.402454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.402454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.644478 (E_RNA)
where:
Base-Base interactions energy: -1474.217
where: short stacking energy: -636.555
Base-Backbone interact. energy: -1.499
local terms energy: -679.927861
where:
bonds (distance) C4'-P energy: -112.057
bonds (distance) P-C4' energy: -140.046
flat angles C4'-P-C4' energy: -155.841
flat angles P-C4'-P energy: -105.227
tors. eta vs tors. theta energy: -166.757
Dist. restrs. and SS energy: 2.242 (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: 3
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -2074.012543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.012543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.970119 (E_RNA)
where:
Base-Base interactions energy: -1364.326
where: short stacking energy: -593.051
Base-Backbone interact. energy: 0.351
local terms energy: -712.995040
where:
bonds (distance) C4'-P energy: -147.870
bonds (distance) P-C4' energy: -145.039
flat angles C4'-P-C4' energy: -167.885
flat angles P-C4'-P energy: -90.095
tors. eta vs tors. theta energy: -162.107
Dist. restrs. and SS energy: 2.958 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -2052.084507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.084507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.454357 (E_RNA)
where:
Base-Base interactions energy: -1418.682
where: short stacking energy: -615.747
Base-Backbone interact. energy: 1.863
local terms energy: -637.635239
where:
bonds (distance) C4'-P energy: -96.377
bonds (distance) P-C4' energy: -150.287
flat angles C4'-P-C4' energy: -147.244
flat angles P-C4'-P energy: -80.357
tors. eta vs tors. theta energy: -163.371
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: 9, replica: 1
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -1953.930152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.930152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.654475 (E_RNA)
where:
Base-Base interactions energy: -1335.769
where: short stacking energy: -560.814
Base-Backbone interact. energy: -4.489
local terms energy: -618.396828
where:
bonds (distance) C4'-P energy: -110.425
bonds (distance) P-C4' energy: -128.470
flat angles C4'-P-C4' energy: -143.904
flat angles P-C4'-P energy: -91.249
tors. eta vs tors. theta energy: -144.348
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: 10, replica: 8
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -1840.621663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.621663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.691442 (E_RNA)
where:
Base-Base interactions energy: -1230.188
where: short stacking energy: -526.574
Base-Backbone interact. energy: -0.540
local terms energy: -612.963347
where:
bonds (distance) C4'-P energy: -146.468
bonds (distance) P-C4' energy: -129.809
flat angles C4'-P-C4' energy: -126.740
flat angles P-C4'-P energy: -72.916
tors. eta vs tors. theta energy: -137.030
Dist. restrs. and SS energy: 3.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -2849.610700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2849.610700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2852.191801 (E_RNA)
where:
Base-Base interactions energy: -2000.930
where: short stacking energy: -842.179
Base-Backbone interact. energy: 6.976
local terms energy: -858.238110
where:
bonds (distance) C4'-P energy: -163.753
bonds (distance) P-C4' energy: -158.763
flat angles C4'-P-C4' energy: -182.093
flat angles P-C4'-P energy: -122.366
tors. eta vs tors. theta energy: -231.263
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: 4
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -2716.230049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.230049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.783733 (E_RNA)
where:
Base-Base interactions energy: -1821.419
where: short stacking energy: -776.907
Base-Backbone interact. energy: 2.471
local terms energy: -898.835593
where:
bonds (distance) C4'-P energy: -167.390
bonds (distance) P-C4' energy: -167.506
flat angles C4'-P-C4' energy: -189.307
flat angles P-C4'-P energy: -140.044
tors. eta vs tors. theta energy: -234.588
Dist. restrs. and SS energy: 1.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -2608.794591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.794591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.591665 (E_RNA)
where:
Base-Base interactions energy: -1774.266
where: short stacking energy: -741.355
Base-Backbone interact. energy: -4.910
local terms energy: -832.415617
where:
bonds (distance) C4'-P energy: -138.665
bonds (distance) P-C4' energy: -168.496
flat angles C4'-P-C4' energy: -187.380
flat angles P-C4'-P energy: -122.830
tors. eta vs tors. theta energy: -215.045
Dist. restrs. and SS energy: 2.797 (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: 6
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -2340.247421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.247421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.412035 (E_RNA)
where:
Base-Base interactions energy: -1562.501
where: short stacking energy: -664.760
Base-Backbone interact. energy: 2.147
local terms energy: -782.058288
where:
bonds (distance) C4'-P energy: -165.644
bonds (distance) P-C4' energy: -152.011
flat angles C4'-P-C4' energy: -162.106
flat angles P-C4'-P energy: -124.644
tors. eta vs tors. theta energy: -177.653
Dist. restrs. and SS energy: 2.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -2305.666085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.666085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.832383 (E_RNA)
where:
Base-Base interactions energy: -1552.467
where: short stacking energy: -661.914
Base-Backbone interact. energy: 0.987
local terms energy: -756.352776
where:
bonds (distance) C4'-P energy: -148.077
bonds (distance) P-C4' energy: -144.872
flat angles C4'-P-C4' energy: -159.339
flat angles P-C4'-P energy: -104.382
tors. eta vs tors. theta energy: -199.682
Dist. restrs. and SS energy: 2.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -2158.771780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.771780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.447981 (E_RNA)
where:
Base-Base interactions energy: -1407.876
where: short stacking energy: -615.289
Base-Backbone interact. energy: -2.502
local terms energy: -750.069863
where:
bonds (distance) C4'-P energy: -136.423
bonds (distance) P-C4' energy: -164.587
flat angles C4'-P-C4' energy: -163.428
flat angles P-C4'-P energy: -120.300
tors. eta vs tors. theta energy: -165.332
Dist. restrs. and SS energy: 1.676 (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: 5
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -2160.316884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.316884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.169176 (E_RNA)
where:
Base-Base interactions energy: -1446.978
where: short stacking energy: -621.276
Base-Backbone interact. energy: 1.407
local terms energy: -717.597959
where:
bonds (distance) C4'-P energy: -142.741
bonds (distance) P-C4' energy: -159.997
flat angles C4'-P-C4' energy: -160.813
flat angles P-C4'-P energy: -98.646
tors. eta vs tors. theta energy: -155.401
Dist. restrs. and SS energy: 2.852 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -2008.658851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.658851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.124365 (E_RNA)
where:
Base-Base interactions energy: -1367.435
where: short stacking energy: -582.192
Base-Backbone interact. energy: 5.076
local terms energy: -648.765387
where:
bonds (distance) C4'-P energy: -127.938
bonds (distance) P-C4' energy: -131.656
flat angles C4'-P-C4' energy: -154.112
flat angles P-C4'-P energy: -92.062
tors. eta vs tors. theta energy: -142.998
Dist. restrs. and SS energy: 2.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -1929.313804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.313804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.164147 (E_RNA)
where:
Base-Base interactions energy: -1333.036
where: short stacking energy: -562.660
Base-Backbone interact. energy: -1.219
local terms energy: -597.909112
where:
bonds (distance) C4'-P energy: -129.507
bonds (distance) P-C4' energy: -108.866
flat angles C4'-P-C4' energy: -141.575
flat angles P-C4'-P energy: -79.443
tors. eta vs tors. theta energy: -138.519
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: 10, replica: 8
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -1874.788753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.788753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.101612 (E_RNA)
where:
Base-Base interactions energy: -1266.572
where: short stacking energy: -521.025
Base-Backbone interact. energy: 0.410
local terms energy: -611.939711
where:
bonds (distance) C4'-P energy: -101.347
bonds (distance) P-C4' energy: -122.301
flat angles C4'-P-C4' energy: -158.824
flat angles P-C4'-P energy: -93.581
tors. eta vs tors. theta energy: -135.887
Dist. restrs. and SS energy: 3.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -2857.720168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2857.720168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2860.400009 (E_RNA)
where:
Base-Base interactions energy: -1986.265
where: short stacking energy: -825.078
Base-Backbone interact. energy: -1.474
local terms energy: -872.660830
where:
bonds (distance) C4'-P energy: -161.736
bonds (distance) P-C4' energy: -154.429
flat angles C4'-P-C4' energy: -192.986
flat angles P-C4'-P energy: -128.442
tors. eta vs tors. theta energy: -235.068
Dist. restrs. and SS energy: 2.680 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -2727.040450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.040450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.602289 (E_RNA)
where:
Base-Base interactions energy: -1903.701
where: short stacking energy: -799.620
Base-Backbone interact. energy: 1.348
local terms energy: -826.249452
where:
bonds (distance) C4'-P energy: -173.016
bonds (distance) P-C4' energy: -136.683
flat angles C4'-P-C4' energy: -179.310
flat angles P-C4'-P energy: -117.043
tors. eta vs tors. theta energy: -220.196
Dist. restrs. and SS energy: 1.562 (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: 7
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -2633.643505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.643505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.497101 (E_RNA)
where:
Base-Base interactions energy: -1831.299
where: short stacking energy: -756.612
Base-Backbone interact. energy: 6.156
local terms energy: -810.354153
where:
bonds (distance) C4'-P energy: -147.367
bonds (distance) P-C4' energy: -150.956
flat angles C4'-P-C4' energy: -185.266
flat angles P-C4'-P energy: -114.508
tors. eta vs tors. theta energy: -212.258
Dist. restrs. and SS energy: 1.854 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -2350.701605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.701605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.044239 (E_RNA)
where:
Base-Base interactions energy: -1582.071
where: short stacking energy: -699.539
Base-Backbone interact. energy: 3.153
local terms energy: -773.125699
where:
bonds (distance) C4'-P energy: -136.050
bonds (distance) P-C4' energy: -150.117
flat angles C4'-P-C4' energy: -166.247
flat angles P-C4'-P energy: -119.115
tors. eta vs tors. theta energy: -201.596
Dist. restrs. and SS energy: 1.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -2289.242105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.242105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.841636 (E_RNA)
where:
Base-Base interactions energy: -1536.989
where: short stacking energy: -659.011
Base-Backbone interact. energy: -1.437
local terms energy: -753.415956
where:
bonds (distance) C4'-P energy: -139.649
bonds (distance) P-C4' energy: -154.828
flat angles C4'-P-C4' energy: -170.281
flat angles P-C4'-P energy: -103.299
tors. eta vs tors. theta energy: -185.359
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: 6, replica: 10
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -2109.265073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.265073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.940585 (E_RNA)
where:
Base-Base interactions energy: -1403.781
where: short stacking energy: -590.193
Base-Backbone interact. energy: 2.104
local terms energy: -709.264367
where:
bonds (distance) C4'-P energy: -148.446
bonds (distance) P-C4' energy: -155.851
flat angles C4'-P-C4' energy: -147.250
flat angles P-C4'-P energy: -92.053
tors. eta vs tors. theta energy: -165.664
Dist. restrs. and SS energy: 1.676 (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: 5
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -2080.837235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.837235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.429010 (E_RNA)
where:
Base-Base interactions energy: -1386.358
where: short stacking energy: -582.868
Base-Backbone interact. energy: -1.858
local terms energy: -695.212998
where:
bonds (distance) C4'-P energy: -136.513
bonds (distance) P-C4' energy: -145.414
flat angles C4'-P-C4' energy: -140.728
flat angles P-C4'-P energy: -107.772
tors. eta vs tors. theta energy: -164.787
Dist. restrs. and SS energy: 2.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -2009.067455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.067455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.929270 (E_RNA)
where:
Base-Base interactions energy: -1377.451
where: short stacking energy: -577.129
Base-Backbone interact. energy: 3.851
local terms energy: -637.328891
where:
bonds (distance) C4'-P energy: -120.146
bonds (distance) P-C4' energy: -127.848
flat angles C4'-P-C4' energy: -146.003
flat angles P-C4'-P energy: -91.969
tors. eta vs tors. theta energy: -151.363
Dist. restrs. and SS energy: 1.862 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -1988.006531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.006531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.763445 (E_RNA)
where:
Base-Base interactions energy: -1353.404
where: short stacking energy: -563.312
Base-Backbone interact. energy: 9.375
local terms energy: -645.734337
where:
bonds (distance) C4'-P energy: -114.848
bonds (distance) P-C4' energy: -129.806
flat angles C4'-P-C4' energy: -149.639
flat angles P-C4'-P energy: -92.316
tors. eta vs tors. theta energy: -159.125
Dist. restrs. and SS energy: 1.757 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -1857.314902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.314902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.532680 (E_RNA)
where:
Base-Base interactions energy: -1273.710
where: short stacking energy: -533.030
Base-Backbone interact. energy: -2.472
local terms energy: -584.350075
where:
bonds (distance) C4'-P energy: -108.385
bonds (distance) P-C4' energy: -131.234
flat angles C4'-P-C4' energy: -149.194
flat angles P-C4'-P energy: -72.203
tors. eta vs tors. theta energy: -123.334
Dist. restrs. and SS energy: 3.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -2851.386381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2851.386381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2853.960570 (E_RNA)
where:
Base-Base interactions energy: -1979.455
where: short stacking energy: -832.302
Base-Backbone interact. energy: -3.064
local terms energy: -871.441687
where:
bonds (distance) C4'-P energy: -151.272
bonds (distance) P-C4' energy: -169.014
flat angles C4'-P-C4' energy: -189.091
flat angles P-C4'-P energy: -133.621
tors. eta vs tors. theta energy: -228.444
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: 2, replica: 4
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -2765.012288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2765.012288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.319087 (E_RNA)
where:
Base-Base interactions energy: -1913.369
where: short stacking energy: -801.115
Base-Backbone interact. energy: -0.082
local terms energy: -852.868623
where:
bonds (distance) C4'-P energy: -144.219
bonds (distance) P-C4' energy: -170.860
flat angles C4'-P-C4' energy: -175.140
flat angles P-C4'-P energy: -128.834
tors. eta vs tors. theta energy: -233.816
Dist. restrs. and SS energy: 1.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -2635.910859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.910859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.069737 (E_RNA)
where:
Base-Base interactions energy: -1843.479
where: short stacking energy: -756.582
Base-Backbone interact. energy: 2.512
local terms energy: -796.103070
where:
bonds (distance) C4'-P energy: -153.709
bonds (distance) P-C4' energy: -145.308
flat angles C4'-P-C4' energy: -181.161
flat angles P-C4'-P energy: -111.228
tors. eta vs tors. theta energy: -204.697
Dist. restrs. and SS energy: 1.159 (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: 6
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -2332.139169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.139169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.515225 (E_RNA)
where:
Base-Base interactions energy: -1548.221
where: short stacking energy: -676.551
Base-Backbone interact. energy: -0.398
local terms energy: -784.895686
where:
bonds (distance) C4'-P energy: -146.009
bonds (distance) P-C4' energy: -166.071
flat angles C4'-P-C4' energy: -155.895
flat angles P-C4'-P energy: -119.761
tors. eta vs tors. theta energy: -197.160
Dist. restrs. and SS energy: 1.376 (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: 2
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -2402.174558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.174558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.531032 (E_RNA)
where:
Base-Base interactions energy: -1648.959
where: short stacking energy: -717.640
Base-Backbone interact. energy: 5.856
local terms energy: -761.427552
where:
bonds (distance) C4'-P energy: -136.962
bonds (distance) P-C4' energy: -156.797
flat angles C4'-P-C4' energy: -161.171
flat angles P-C4'-P energy: -106.915
tors. eta vs tors. theta energy: -199.582
Dist. restrs. and SS energy: 2.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -2162.845326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.845326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.547665 (E_RNA)
where:
Base-Base interactions energy: -1442.686
where: short stacking energy: -646.101
Base-Backbone interact. energy: -2.477
local terms energy: -719.384285
where:
bonds (distance) C4'-P energy: -133.248
bonds (distance) P-C4' energy: -150.887
flat angles C4'-P-C4' energy: -166.390
flat angles P-C4'-P energy: -108.435
tors. eta vs tors. theta energy: -160.424
Dist. restrs. and SS energy: 1.702 (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: 5
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -2114.448330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.448330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.298761 (E_RNA)
where:
Base-Base interactions energy: -1442.358
where: short stacking energy: -622.095
Base-Backbone interact. energy: 4.618
local terms energy: -679.558170
where:
bonds (distance) C4'-P energy: -143.755
bonds (distance) P-C4' energy: -121.379
flat angles C4'-P-C4' energy: -151.126
flat angles P-C4'-P energy: -86.720
tors. eta vs tors. theta energy: -176.579
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: 8, replica: 3
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -2027.414639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.414639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.494183 (E_RNA)
where:
Base-Base interactions energy: -1323.545
where: short stacking energy: -570.264
Base-Backbone interact. energy: 1.785
local terms energy: -708.734673
where:
bonds (distance) C4'-P energy: -157.693
bonds (distance) P-C4' energy: -138.087
flat angles C4'-P-C4' energy: -161.187
flat angles P-C4'-P energy: -95.689
tors. eta vs tors. theta energy: -156.078
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: 9, replica: 1
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -1919.717140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.717140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.916440 (E_RNA)
where:
Base-Base interactions energy: -1289.771
where: short stacking energy: -530.159
Base-Backbone interact. energy: -1.855
local terms energy: -632.290986
where:
bonds (distance) C4'-P energy: -120.192
bonds (distance) P-C4' energy: -133.517
flat angles C4'-P-C4' energy: -143.861
flat angles P-C4'-P energy: -92.481
tors. eta vs tors. theta energy: -142.240
Dist. restrs. and SS energy: 4.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -1849.006831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.006831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.737423 (E_RNA)
where:
Base-Base interactions energy: -1243.195
where: short stacking energy: -542.167
Base-Backbone interact. energy: -0.567
local terms energy: -609.975634
where:
bonds (distance) C4'-P energy: -113.317
bonds (distance) P-C4' energy: -138.247
flat angles C4'-P-C4' energy: -136.119
flat angles P-C4'-P energy: -76.063
tors. eta vs tors. theta energy: -146.230
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: 1, replica: 9
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -2866.415525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2866.415525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2868.457290 (E_RNA)
where:
Base-Base interactions energy: -2028.885
where: short stacking energy: -834.435
Base-Backbone interact. energy: -2.290
local terms energy: -837.282137
where:
bonds (distance) C4'-P energy: -159.037
bonds (distance) P-C4' energy: -146.542
flat angles C4'-P-C4' energy: -169.807
flat angles P-C4'-P energy: -122.291
tors. eta vs tors. theta energy: -239.605
Dist. restrs. and SS energy: 2.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -2740.799441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.799441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.127437 (E_RNA)
where:
Base-Base interactions energy: -1866.690
where: short stacking energy: -807.632
Base-Backbone interact. energy: 0.847
local terms energy: -876.284548
where:
bonds (distance) C4'-P energy: -143.158
bonds (distance) P-C4' energy: -172.524
flat angles C4'-P-C4' energy: -186.218
flat angles P-C4'-P energy: -135.447
tors. eta vs tors. theta energy: -238.937
Dist. restrs. and SS energy: 1.328 (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: 7
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -2606.965504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.965504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.953011 (E_RNA)
where:
Base-Base interactions energy: -1807.325
where: short stacking energy: -757.689
Base-Backbone interact. energy: 2.048
local terms energy: -803.676142
where:
bonds (distance) C4'-P energy: -158.315
bonds (distance) P-C4' energy: -143.292
flat angles C4'-P-C4' energy: -169.170
flat angles P-C4'-P energy: -113.626
tors. eta vs tors. theta energy: -219.274
Dist. restrs. and SS energy: 1.988 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -2385.307922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.307922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.035724 (E_RNA)
where:
Base-Base interactions energy: -1607.262
where: short stacking energy: -682.441
Base-Backbone interact. energy: -1.658
local terms energy: -779.115121
where:
bonds (distance) C4'-P energy: -148.468
bonds (distance) P-C4' energy: -159.912
flat angles C4'-P-C4' energy: -171.321
flat angles P-C4'-P energy: -108.003
tors. eta vs tors. theta energy: -191.411
Dist. restrs. and SS energy: 2.728 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -2269.757921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.757921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.984203 (E_RNA)
where:
Base-Base interactions energy: -1533.761
where: short stacking energy: -658.170
Base-Backbone interact. energy: -0.335
local terms energy: -736.888369
where:
bonds (distance) C4'-P energy: -133.291
bonds (distance) P-C4' energy: -129.331
flat angles C4'-P-C4' energy: -167.061
flat angles P-C4'-P energy: -110.954
tors. eta vs tors. theta energy: -196.252
Dist. restrs. and SS energy: 1.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -2106.448679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.448679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.632579 (E_RNA)
where:
Base-Base interactions energy: -1397.280
where: short stacking energy: -610.078
Base-Backbone interact. energy: -0.969
local terms energy: -710.384017
where:
bonds (distance) C4'-P energy: -131.279
bonds (distance) P-C4' energy: -145.708
flat angles C4'-P-C4' energy: -154.525
flat angles P-C4'-P energy: -111.571
tors. eta vs tors. theta energy: -167.301
Dist. restrs. and SS energy: 2.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -2089.096521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.096521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.120425 (E_RNA)
where:
Base-Base interactions energy: -1407.382
where: short stacking energy: -616.741
Base-Backbone interact. energy: -1.006
local terms energy: -682.732238
where:
bonds (distance) C4'-P energy: -125.523
bonds (distance) P-C4' energy: -138.254
flat angles C4'-P-C4' energy: -157.596
flat angles P-C4'-P energy: -93.390
tors. eta vs tors. theta energy: -167.968
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: 8, replica: 3
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -1987.562475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.562475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.099052 (E_RNA)
where:
Base-Base interactions energy: -1315.400
where: short stacking energy: -576.189
Base-Backbone interact. energy: 2.220
local terms energy: -676.918865
where:
bonds (distance) C4'-P energy: -122.031
bonds (distance) P-C4' energy: -144.676
flat angles C4'-P-C4' energy: -155.826
flat angles P-C4'-P energy: -105.708
tors. eta vs tors. theta energy: -148.678
Dist. restrs. and SS energy: 2.537 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -2021.835346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.835346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.842474 (E_RNA)
where:
Base-Base interactions energy: -1369.878
where: short stacking energy: -599.538
Base-Backbone interact. energy: 3.341
local terms energy: -659.305384
where:
bonds (distance) C4'-P energy: -121.152
bonds (distance) P-C4' energy: -145.191
flat angles C4'-P-C4' energy: -136.150
flat angles P-C4'-P energy: -87.193
tors. eta vs tors. theta energy: -169.619
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: 10, replica: 8
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -1854.448689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.448689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.856690 (E_RNA)
where:
Base-Base interactions energy: -1258.096
where: short stacking energy: -516.548
Base-Backbone interact. energy: 2.814
local terms energy: -604.574443
where:
bonds (distance) C4'-P energy: -134.695
bonds (distance) P-C4' energy: -139.083
flat angles C4'-P-C4' energy: -129.596
flat angles P-C4'-P energy: -81.984
tors. eta vs tors. theta energy: -119.216
Dist. restrs. and SS energy: 5.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -2863.550751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2863.550751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2865.403456 (E_RNA)
where:
Base-Base interactions energy: -1989.275
where: short stacking energy: -814.817
Base-Backbone interact. energy: -2.197
local terms energy: -873.931029
where:
bonds (distance) C4'-P energy: -159.082
bonds (distance) P-C4' energy: -162.334
flat angles C4'-P-C4' energy: -187.524
flat angles P-C4'-P energy: -132.917
tors. eta vs tors. theta energy: -232.074
Dist. restrs. and SS energy: 1.853 (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: 4
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -2722.343772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.343772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.472946 (E_RNA)
where:
Base-Base interactions energy: -1854.607
where: short stacking energy: -773.209
Base-Backbone interact. energy: -3.675
local terms energy: -865.191082
where:
bonds (distance) C4'-P energy: -170.215
bonds (distance) P-C4' energy: -159.446
flat angles C4'-P-C4' energy: -169.242
flat angles P-C4'-P energy: -138.041
tors. eta vs tors. theta energy: -228.246
Dist. restrs. and SS energy: 1.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -2632.344091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.344091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.541550 (E_RNA)
where:
Base-Base interactions energy: -1820.857
where: short stacking energy: -774.702
Base-Backbone interact. energy: 3.503
local terms energy: -816.187880
where:
bonds (distance) C4'-P energy: -145.963
bonds (distance) P-C4' energy: -165.768
flat angles C4'-P-C4' energy: -180.098
flat angles P-C4'-P energy: -124.001
tors. eta vs tors. theta energy: -200.358
Dist. restrs. and SS energy: 1.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -2424.758788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.758788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.178025 (E_RNA)
where:
Base-Base interactions energy: -1642.994
where: short stacking energy: -707.050
Base-Backbone interact. energy: -4.509
local terms energy: -779.674767
where:
bonds (distance) C4'-P energy: -143.769
bonds (distance) P-C4' energy: -147.084
flat angles C4'-P-C4' energy: -181.851
flat angles P-C4'-P energy: -122.772
tors. eta vs tors. theta energy: -184.199
Dist. restrs. and SS energy: 2.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -2279.717275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.717275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.545031 (E_RNA)
where:
Base-Base interactions energy: -1554.286
where: short stacking energy: -676.824
Base-Backbone interact. energy: 2.700
local terms energy: -729.958914
where:
bonds (distance) C4'-P energy: -145.532
bonds (distance) P-C4' energy: -143.457
flat angles C4'-P-C4' energy: -158.278
flat angles P-C4'-P energy: -102.315
tors. eta vs tors. theta energy: -180.377
Dist. restrs. and SS energy: 1.828 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -2138.654498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.654498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.395412 (E_RNA)
where:
Base-Base interactions energy: -1429.912
where: short stacking energy: -621.580
Base-Backbone interact. energy: -1.335
local terms energy: -709.148079
where:
bonds (distance) C4'-P energy: -149.615
bonds (distance) P-C4' energy: -144.209
flat angles C4'-P-C4' energy: -149.840
flat angles P-C4'-P energy: -95.224
tors. eta vs tors. theta energy: -170.260
Dist. restrs. and SS energy: 1.741 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -2051.282760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.282760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.565614 (E_RNA)
where:
Base-Base interactions energy: -1372.853
where: short stacking energy: -594.561
Base-Backbone interact. energy: -1.539
local terms energy: -679.173518
where:
bonds (distance) C4'-P energy: -130.302
bonds (distance) P-C4' energy: -142.772
flat angles C4'-P-C4' energy: -158.022
flat angles P-C4'-P energy: -91.447
tors. eta vs tors. theta energy: -156.630
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: 8, replica: 5
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -2025.260664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.260664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.870670 (E_RNA)
where:
Base-Base interactions energy: -1368.911
where: short stacking energy: -586.077
Base-Backbone interact. energy: 3.907
local terms energy: -661.866532
where:
bonds (distance) C4'-P energy: -135.430
bonds (distance) P-C4' energy: -148.691
flat angles C4'-P-C4' energy: -137.375
flat angles P-C4'-P energy: -88.198
tors. eta vs tors. theta energy: -152.172
Dist. restrs. and SS energy: 1.610 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -1979.856080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.856080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.629790 (E_RNA)
where:
Base-Base interactions energy: -1334.495
where: short stacking energy: -572.572
Base-Backbone interact. energy: -1.225
local terms energy: -646.910278
where:
bonds (distance) C4'-P energy: -122.649
bonds (distance) P-C4' energy: -133.003
flat angles C4'-P-C4' energy: -132.590
flat angles P-C4'-P energy: -102.934
tors. eta vs tors. theta energy: -155.734
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: 10, replica: 8
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -1823.775921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.775921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.997062 (E_RNA)
where:
Base-Base interactions energy: -1265.586
where: short stacking energy: -506.023
Base-Backbone interact. energy: 0.159
local terms energy: -561.569944
where:
bonds (distance) C4'-P energy: -109.357
bonds (distance) P-C4' energy: -139.674
flat angles C4'-P-C4' energy: -116.136
flat angles P-C4'-P energy: -87.161
tors. eta vs tors. theta energy: -109.242
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: 1, replica: 9
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -2889.245511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2889.245511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2892.737523 (E_RNA)
where:
Base-Base interactions energy: -2005.820
where: short stacking energy: -845.946
Base-Backbone interact. energy: -2.092
local terms energy: -884.825721
where:
bonds (distance) C4'-P energy: -161.863
bonds (distance) P-C4' energy: -172.642
flat angles C4'-P-C4' energy: -177.808
flat angles P-C4'-P energy: -120.757
tors. eta vs tors. theta energy: -251.756
Dist. restrs. and SS energy: 3.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -2750.990960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2750.990960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.399425 (E_RNA)
where:
Base-Base interactions energy: -1910.544
where: short stacking energy: -798.335
Base-Backbone interact. energy: -2.212
local terms energy: -840.643813
where:
bonds (distance) C4'-P energy: -145.634
bonds (distance) P-C4' energy: -156.172
flat angles C4'-P-C4' energy: -185.448
flat angles P-C4'-P energy: -131.896
tors. eta vs tors. theta energy: -221.493
Dist. restrs. and SS energy: 2.408 (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: 7
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -2604.154778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.154778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.252990 (E_RNA)
where:
Base-Base interactions energy: -1796.810
where: short stacking energy: -762.483
Base-Backbone interact. energy: -2.772
local terms energy: -805.670908
where:
bonds (distance) C4'-P energy: -148.153
bonds (distance) P-C4' energy: -154.818
flat angles C4'-P-C4' energy: -172.400
flat angles P-C4'-P energy: -120.870
tors. eta vs tors. theta energy: -209.430
Dist. restrs. and SS energy: 1.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -2456.831381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.831381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.996281 (E_RNA)
where:
Base-Base interactions energy: -1682.419
where: short stacking energy: -745.073
Base-Backbone interact. energy: -4.687
local terms energy: -770.890412
where:
bonds (distance) C4'-P energy: -136.859
bonds (distance) P-C4' energy: -146.740
flat angles C4'-P-C4' energy: -162.943
flat angles P-C4'-P energy: -107.148
tors. eta vs tors. theta energy: -217.200
Dist. restrs. and SS energy: 1.165 (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: 6
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -2238.091037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.091037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.658868 (E_RNA)
where:
Base-Base interactions energy: -1485.977
where: short stacking energy: -657.900
Base-Backbone interact. energy: 9.774
local terms energy: -763.456042
where:
bonds (distance) C4'-P energy: -143.248
bonds (distance) P-C4' energy: -161.091
flat angles C4'-P-C4' energy: -161.429
flat angles P-C4'-P energy: -112.043
tors. eta vs tors. theta energy: -185.645
Dist. restrs. and SS energy: 1.568 (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: 10
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -2120.845589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.845589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.444731 (E_RNA)
where:
Base-Base interactions energy: -1425.722
where: short stacking energy: -601.304
Base-Backbone interact. energy: -0.919
local terms energy: -695.803476
where:
bonds (distance) C4'-P energy: -148.664
bonds (distance) P-C4' energy: -154.986
flat angles C4'-P-C4' energy: -141.384
flat angles P-C4'-P energy: -98.261
tors. eta vs tors. theta energy: -152.509
Dist. restrs. and SS energy: 1.599 (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: 3
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -2061.070466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.070466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.565666 (E_RNA)
where:
Base-Base interactions energy: -1409.934
where: short stacking energy: -609.069
Base-Backbone interact. energy: -1.321
local terms energy: -653.311068
where:
bonds (distance) C4'-P energy: -124.836
bonds (distance) P-C4' energy: -106.913
flat angles C4'-P-C4' energy: -156.994
flat angles P-C4'-P energy: -107.994
tors. eta vs tors. theta energy: -156.574
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: 8, replica: 5
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -2032.785742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.785742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.413483 (E_RNA)
where:
Base-Base interactions energy: -1389.291
where: short stacking energy: -611.162
Base-Backbone interact. energy: -3.326
local terms energy: -643.795845
where:
bonds (distance) C4'-P energy: -112.832
bonds (distance) P-C4' energy: -134.496
flat angles C4'-P-C4' energy: -160.332
flat angles P-C4'-P energy: -85.047
tors. eta vs tors. theta energy: -151.089
Dist. restrs. and SS energy: 3.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -1954.800685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.800685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.329691 (E_RNA)
where:
Base-Base interactions energy: -1339.138
where: short stacking energy: -550.383
Base-Backbone interact. energy: -2.609
local terms energy: -616.582666
where:
bonds (distance) C4'-P energy: -116.920
bonds (distance) P-C4' energy: -125.937
flat angles C4'-P-C4' energy: -146.979
flat angles P-C4'-P energy: -99.090
tors. eta vs tors. theta energy: -127.657
Dist. restrs. and SS energy: 3.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -1844.500417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.500417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.405632 (E_RNA)
where:
Base-Base interactions energy: -1219.398
where: short stacking energy: -493.142
Base-Backbone interact. energy: -1.904
local terms energy: -628.104294
where:
bonds (distance) C4'-P energy: -146.661
bonds (distance) P-C4' energy: -139.040
flat angles C4'-P-C4' energy: -146.120
flat angles P-C4'-P energy: -75.144
tors. eta vs tors. theta energy: -121.140
Dist. restrs. and SS energy: 4.905 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -2915.013713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2915.013713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2917.349504 (E_RNA)
where:
Base-Base interactions energy: -2038.447
where: short stacking energy: -845.897
Base-Backbone interact. energy: -3.780
local terms energy: -875.121997
where:
bonds (distance) C4'-P energy: -153.482
bonds (distance) P-C4' energy: -164.948
flat angles C4'-P-C4' energy: -180.511
flat angles P-C4'-P energy: -129.701
tors. eta vs tors. theta energy: -246.480
Dist. restrs. and SS energy: 2.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -2713.315434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.315434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.198160 (E_RNA)
where:
Base-Base interactions energy: -1875.745
where: short stacking energy: -794.879
Base-Backbone interact. energy: -2.829
local terms energy: -836.624133
where:
bonds (distance) C4'-P energy: -166.198
bonds (distance) P-C4' energy: -141.366
flat angles C4'-P-C4' energy: -188.197
flat angles P-C4'-P energy: -111.207
tors. eta vs tors. theta energy: -229.655
Dist. restrs. and SS energy: 1.883 (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: 7
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -2556.776916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.776916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.098066 (E_RNA)
where:
Base-Base interactions energy: -1753.215
where: short stacking energy: -720.602
Base-Backbone interact. energy: -0.330
local terms energy: -804.553277
where:
bonds (distance) C4'-P energy: -141.326
bonds (distance) P-C4' energy: -161.086
flat angles C4'-P-C4' energy: -185.157
flat angles P-C4'-P energy: -107.676
tors. eta vs tors. theta energy: -209.309
Dist. restrs. and SS energy: 1.321 (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: 134
Temperature: 1.050000
Total energy: -2467.019910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.019910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.282650 (E_RNA)
where:
Base-Base interactions energy: -1665.592
where: short stacking energy: -745.414
Base-Backbone interact. energy: -4.808
local terms energy: -799.882881
where:
bonds (distance) C4'-P energy: -136.085
bonds (distance) P-C4' energy: -165.370
flat angles C4'-P-C4' energy: -173.996
flat angles P-C4'-P energy: -106.842
tors. eta vs tors. theta energy: -217.590
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: 5, replica: 6
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -2242.603469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.603469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.401840 (E_RNA)
where:
Base-Base interactions energy: -1496.933
where: short stacking energy: -668.899
Base-Backbone interact. energy: 6.149
local terms energy: -754.618075
where:
bonds (distance) C4'-P energy: -139.163
bonds (distance) P-C4' energy: -152.440
flat angles C4'-P-C4' energy: -165.782
flat angles P-C4'-P energy: -115.238
tors. eta vs tors. theta energy: -181.996
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: 6, replica: 10
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -2122.302786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.302786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.855948 (E_RNA)
where:
Base-Base interactions energy: -1486.056
where: short stacking energy: -636.796
Base-Backbone interact. energy: 4.001
local terms energy: -643.800964
where:
bonds (distance) C4'-P energy: -120.868
bonds (distance) P-C4' energy: -124.936
flat angles C4'-P-C4' energy: -141.754
flat angles P-C4'-P energy: -101.202
tors. eta vs tors. theta energy: -155.042
Dist. restrs. and SS energy: 3.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -2102.774886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.774886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.513907 (E_RNA)
where:
Base-Base interactions energy: -1425.591
where: short stacking energy: -638.745
Base-Backbone interact. energy: 1.348
local terms energy: -680.270344
where:
bonds (distance) C4'-P energy: -137.798
bonds (distance) P-C4' energy: -157.348
flat angles C4'-P-C4' energy: -132.794
flat angles P-C4'-P energy: -86.883
tors. eta vs tors. theta energy: -165.448
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: 8, replica: 5
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -2075.423272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.423272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.822201 (E_RNA)
where:
Base-Base interactions energy: -1411.126
where: short stacking energy: -616.221
Base-Backbone interact. energy: -1.844
local terms energy: -665.852604
where:
bonds (distance) C4'-P energy: -141.279
bonds (distance) P-C4' energy: -136.934
flat angles C4'-P-C4' energy: -163.836
flat angles P-C4'-P energy: -78.008
tors. eta vs tors. theta energy: -145.796
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: 9, replica: 8
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -1905.491526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.491526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.931378 (E_RNA)
where:
Base-Base interactions energy: -1318.684
where: short stacking energy: -564.729
Base-Backbone interact. energy: -3.189
local terms energy: -586.058949
where:
bonds (distance) C4'-P energy: -122.238
bonds (distance) P-C4' energy: -111.186
flat angles C4'-P-C4' energy: -148.812
flat angles P-C4'-P energy: -78.551
tors. eta vs tors. theta energy: -125.273
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: 10, replica: 1
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -1848.556757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.556757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.877450 (E_RNA)
where:
Base-Base interactions energy: -1273.486
where: short stacking energy: -528.357
Base-Backbone interact. energy: 4.100
local terms energy: -583.491806
where:
bonds (distance) C4'-P energy: -117.167
bonds (distance) P-C4' energy: -137.573
flat angles C4'-P-C4' energy: -127.208
flat angles P-C4'-P energy: -91.203
tors. eta vs tors. theta energy: -110.341
Dist. restrs. and SS energy: 4.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -2905.010235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2905.010235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2906.918851 (E_RNA)
where:
Base-Base interactions energy: -2042.306
where: short stacking energy: -854.833
Base-Backbone interact. energy: -3.085
local terms energy: -861.528119
where:
bonds (distance) C4'-P energy: -159.362
bonds (distance) P-C4' energy: -144.101
flat angles C4'-P-C4' energy: -186.227
flat angles P-C4'-P energy: -129.433
tors. eta vs tors. theta energy: -242.405
Dist. restrs. and SS energy: 1.909 (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: 4
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -2697.544567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.544567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.072163 (E_RNA)
where:
Base-Base interactions energy: -1836.749
where: short stacking energy: -784.099
Base-Backbone interact. energy: -3.871
local terms energy: -859.452044
where:
bonds (distance) C4'-P energy: -156.954
bonds (distance) P-C4' energy: -162.924
flat angles C4'-P-C4' energy: -184.687
flat angles P-C4'-P energy: -134.544
tors. eta vs tors. theta energy: -220.344
Dist. restrs. and SS energy: 2.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -2578.700123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.700123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.859754 (E_RNA)
where:
Base-Base interactions energy: -1777.532
where: short stacking energy: -765.504
Base-Backbone interact. energy: -3.274
local terms energy: -800.054470
where:
bonds (distance) C4'-P energy: -142.526
bonds (distance) P-C4' energy: -158.356
flat angles C4'-P-C4' energy: -174.169
flat angles P-C4'-P energy: -97.728
tors. eta vs tors. theta energy: -227.276
Dist. restrs. and SS energy: 2.160 (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: 135
Temperature: 1.050000
Total energy: -2410.961807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.961807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.663630 (E_RNA)
where:
Base-Base interactions energy: -1649.347
where: short stacking energy: -708.027
Base-Backbone interact. energy: 1.383
local terms energy: -764.699673
where:
bonds (distance) C4'-P energy: -150.268
bonds (distance) P-C4' energy: -159.494
flat angles C4'-P-C4' energy: -172.409
flat angles P-C4'-P energy: -89.844
tors. eta vs tors. theta energy: -192.684
Dist. restrs. and SS energy: 1.702 (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: 6
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -2256.295751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.295751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.609691 (E_RNA)
where:
Base-Base interactions energy: -1548.197
where: short stacking energy: -677.919
Base-Backbone interact. energy: -0.124
local terms energy: -710.287753
where:
bonds (distance) C4'-P energy: -128.283
bonds (distance) P-C4' energy: -130.966
flat angles C4'-P-C4' energy: -143.575
flat angles P-C4'-P energy: -104.736
tors. eta vs tors. theta energy: -202.728
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: 6, replica: 10
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -2107.016119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.016119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.630437 (E_RNA)
where:
Base-Base interactions energy: -1427.807
where: short stacking energy: -601.605
Base-Backbone interact. energy: -0.645
local terms energy: -680.178026
where:
bonds (distance) C4'-P energy: -128.418
bonds (distance) P-C4' energy: -134.579
flat angles C4'-P-C4' energy: -145.612
flat angles P-C4'-P energy: -102.902
tors. eta vs tors. theta energy: -168.667
Dist. restrs. and SS energy: 1.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -2141.316638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.316638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.318081 (E_RNA)
where:
Base-Base interactions energy: -1453.226
where: short stacking energy: -605.697
Base-Backbone interact. energy: 2.823
local terms energy: -692.915137
where:
bonds (distance) C4'-P energy: -136.301
bonds (distance) P-C4' energy: -140.784
flat angles C4'-P-C4' energy: -149.498
flat angles P-C4'-P energy: -99.261
tors. eta vs tors. theta energy: -167.070
Dist. restrs. and SS energy: 2.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -2061.065828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.065828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.856258 (E_RNA)
where:
Base-Base interactions energy: -1375.687
where: short stacking energy: -570.001
Base-Backbone interact. energy: -1.858
local terms energy: -685.311398
where:
bonds (distance) C4'-P energy: -116.871
bonds (distance) P-C4' energy: -151.792
flat angles C4'-P-C4' energy: -144.036
flat angles P-C4'-P energy: -114.645
tors. eta vs tors. theta energy: -157.968
Dist. restrs. and SS energy: 1.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -1892.387100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.387100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.371299 (E_RNA)
where:
Base-Base interactions energy: -1270.981
where: short stacking energy: -539.595
Base-Backbone interact. energy: -3.050
local terms energy: -622.339763
where:
bonds (distance) C4'-P energy: -124.212
bonds (distance) P-C4' energy: -133.801
flat angles C4'-P-C4' energy: -137.877
flat angles P-C4'-P energy: -83.403
tors. eta vs tors. theta energy: -143.047
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: 10, replica: 1
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -1825.794545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.794545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.084122 (E_RNA)
where:
Base-Base interactions energy: -1233.338
where: short stacking energy: -532.893
Base-Backbone interact. energy: -4.016
local terms energy: -593.729613
where:
bonds (distance) C4'-P energy: -124.110
bonds (distance) P-C4' energy: -119.738
flat angles C4'-P-C4' energy: -126.339
flat angles P-C4'-P energy: -89.025
tors. eta vs tors. theta energy: -134.518
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: 1, replica: 9
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -2920.772992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2920.772992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2923.566768 (E_RNA)
where:
Base-Base interactions energy: -2064.978
where: short stacking energy: -855.838
Base-Backbone interact. energy: -1.056
local terms energy: -857.532000
where:
bonds (distance) C4'-P energy: -137.188
bonds (distance) P-C4' energy: -160.558
flat angles C4'-P-C4' energy: -184.673
flat angles P-C4'-P energy: -129.242
tors. eta vs tors. theta energy: -245.871
Dist. restrs. and SS energy: 2.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -2745.680792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.680792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.471886 (E_RNA)
where:
Base-Base interactions energy: -1914.318
where: short stacking energy: -809.285
Base-Backbone interact. energy: -3.303
local terms energy: -829.851725
where:
bonds (distance) C4'-P energy: -152.237
bonds (distance) P-C4' energy: -160.194
flat angles C4'-P-C4' energy: -170.744
flat angles P-C4'-P energy: -114.589
tors. eta vs tors. theta energy: -232.087
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: 3, replica: 7
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -2575.541249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.541249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.822946 (E_RNA)
where:
Base-Base interactions energy: -1766.281
where: short stacking energy: -759.371
Base-Backbone interact. energy: -3.257
local terms energy: -807.284260
where:
bonds (distance) C4'-P energy: -152.425
bonds (distance) P-C4' energy: -148.041
flat angles C4'-P-C4' energy: -174.913
flat angles P-C4'-P energy: -125.346
tors. eta vs tors. theta energy: -206.558
Dist. restrs. and SS energy: 1.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -2439.447607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.447607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.760995 (E_RNA)
where:
Base-Base interactions energy: -1672.553
where: short stacking energy: -738.335
Base-Backbone interact. energy: -0.210
local terms energy: -768.997856
where:
bonds (distance) C4'-P energy: -139.254
bonds (distance) P-C4' energy: -144.870
flat angles C4'-P-C4' energy: -154.725
flat angles P-C4'-P energy: -101.457
tors. eta vs tors. theta energy: -228.692
Dist. restrs. and SS energy: 2.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -2255.049782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.049782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.515524 (E_RNA)
where:
Base-Base interactions energy: -1540.582
where: short stacking energy: -661.911
Base-Backbone interact. energy: -1.089
local terms energy: -714.844102
where:
bonds (distance) C4'-P energy: -128.275
bonds (distance) P-C4' energy: -134.875
flat angles C4'-P-C4' energy: -149.896
flat angles P-C4'-P energy: -109.696
tors. eta vs tors. theta energy: -192.103
Dist. restrs. and SS energy: 1.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -2113.922894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.922894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.033299 (E_RNA)
where:
Base-Base interactions energy: -1396.086
where: short stacking energy: -622.425
Base-Backbone interact. energy: -0.101
local terms energy: -719.846251
where:
bonds (distance) C4'-P energy: -150.213
bonds (distance) P-C4' energy: -139.567
flat angles C4'-P-C4' energy: -164.233
flat angles P-C4'-P energy: -110.885
tors. eta vs tors. theta energy: -154.949
Dist. restrs. and SS energy: 2.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -2079.785625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.785625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.009295 (E_RNA)
where:
Base-Base interactions energy: -1434.374
where: short stacking energy: -601.344
Base-Backbone interact. energy: -3.620
local terms energy: -644.015914
where:
bonds (distance) C4'-P energy: -135.207
bonds (distance) P-C4' energy: -118.519
flat angles C4'-P-C4' energy: -155.767
flat angles P-C4'-P energy: -78.138
tors. eta vs tors. theta energy: -156.385
Dist. restrs. and SS energy: 2.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -1989.932629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.932629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.037934 (E_RNA)
where:
Base-Base interactions energy: -1375.839
where: short stacking energy: -568.228
Base-Backbone interact. energy: -1.549
local terms energy: -617.649483
where:
bonds (distance) C4'-P energy: -132.199
bonds (distance) P-C4' energy: -128.840
flat angles C4'-P-C4' energy: -147.818
flat angles P-C4'-P energy: -72.361
tors. eta vs tors. theta energy: -136.432
Dist. restrs. and SS energy: 5.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -1984.343400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.343400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.254949 (E_RNA)
where:
Base-Base interactions energy: -1350.957
where: short stacking energy: -586.516
Base-Backbone interact. energy: -0.302
local terms energy: -635.996535
where:
bonds (distance) C4'-P energy: -143.984
bonds (distance) P-C4' energy: -133.602
flat angles C4'-P-C4' energy: -129.060
flat angles P-C4'-P energy: -86.945
tors. eta vs tors. theta energy: -142.405
Dist. restrs. and SS energy: 2.912 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -1853.667065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.667065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.818240 (E_RNA)
where:
Base-Base interactions energy: -1273.586
where: short stacking energy: -541.251
Base-Backbone interact. energy: 6.085
local terms energy: -595.316910
where:
bonds (distance) C4'-P energy: -122.416
bonds (distance) P-C4' energy: -117.803
flat angles C4'-P-C4' energy: -129.942
flat angles P-C4'-P energy: -87.186
tors. eta vs tors. theta energy: -137.969
Dist. restrs. and SS energy: 9.151 (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: 9
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -2937.414165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2937.414165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2939.898918 (E_RNA)
where:
Base-Base interactions energy: -2075.330
where: short stacking energy: -849.766
Base-Backbone interact. energy: -1.454
local terms energy: -863.114785
where:
bonds (distance) C4'-P energy: -161.949
bonds (distance) P-C4' energy: -154.852
flat angles C4'-P-C4' energy: -181.351
flat angles P-C4'-P energy: -121.878
tors. eta vs tors. theta energy: -243.085
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: 2, replica: 4
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -2736.698835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.698835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.998846 (E_RNA)
where:
Base-Base interactions energy: -1896.891
where: short stacking energy: -805.157
Base-Backbone interact. energy: 4.407
local terms energy: -846.515458
where:
bonds (distance) C4'-P energy: -153.655
bonds (distance) P-C4' energy: -154.971
flat angles C4'-P-C4' energy: -188.567
flat angles P-C4'-P energy: -121.583
tors. eta vs tors. theta energy: -227.739
Dist. restrs. and SS energy: 2.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -2596.860554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.860554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.959199 (E_RNA)
where:
Base-Base interactions energy: -1769.271
where: short stacking energy: -754.025
Base-Backbone interact. energy: -1.404
local terms energy: -828.284759
where:
bonds (distance) C4'-P energy: -146.742
bonds (distance) P-C4' energy: -168.234
flat angles C4'-P-C4' energy: -183.923
flat angles P-C4'-P energy: -115.448
tors. eta vs tors. theta energy: -213.938
Dist. restrs. and SS energy: 2.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -2436.116880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.116880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.630406 (E_RNA)
where:
Base-Base interactions energy: -1630.641
where: short stacking energy: -704.759
Base-Backbone interact. energy: -4.065
local terms energy: -804.924284
where:
bonds (distance) C4'-P energy: -154.519
bonds (distance) P-C4' energy: -154.829
flat angles C4'-P-C4' energy: -174.638
flat angles P-C4'-P energy: -121.824
tors. eta vs tors. theta energy: -199.114
Dist. restrs. and SS energy: 3.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -2293.837190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.837190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.004028 (E_RNA)
where:
Base-Base interactions energy: -1512.904
where: short stacking energy: -670.123
Base-Backbone interact. energy: -1.583
local terms energy: -781.516423
where:
bonds (distance) C4'-P energy: -142.007
bonds (distance) P-C4' energy: -152.090
flat angles C4'-P-C4' energy: -178.479
flat angles P-C4'-P energy: -122.968
tors. eta vs tors. theta energy: -185.972
Dist. restrs. and SS energy: 2.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -2131.582240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.582240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.824664 (E_RNA)
where:
Base-Base interactions energy: -1440.583
where: short stacking energy: -616.642
Base-Backbone interact. energy: 1.143
local terms energy: -693.384423
where:
bonds (distance) C4'-P energy: -131.725
bonds (distance) P-C4' energy: -140.539
flat angles C4'-P-C4' energy: -158.234
flat angles P-C4'-P energy: -92.117
tors. eta vs tors. theta energy: -170.771
Dist. restrs. and SS energy: 1.242 (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: 10
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -2069.027058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.027058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.339323 (E_RNA)
where:
Base-Base interactions energy: -1406.090
where: short stacking energy: -566.211
Base-Backbone interact. energy: -0.193
local terms energy: -666.056752
where:
bonds (distance) C4'-P energy: -135.153
bonds (distance) P-C4' energy: -144.558
flat angles C4'-P-C4' energy: -149.942
flat angles P-C4'-P energy: -93.155
tors. eta vs tors. theta energy: -143.249
Dist. restrs. and SS energy: 3.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -1995.426180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.426180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.442626 (E_RNA)
where:
Base-Base interactions energy: -1353.757
where: short stacking energy: -583.953
Base-Backbone interact. energy: 1.647
local terms energy: -646.333055
where:
bonds (distance) C4'-P energy: -127.765
bonds (distance) P-C4' energy: -122.125
flat angles C4'-P-C4' energy: -142.743
flat angles P-C4'-P energy: -96.176
tors. eta vs tors. theta energy: -157.524
Dist. restrs. and SS energy: 3.016 (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: 8
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -1894.498238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.498238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.297156 (E_RNA)
where:
Base-Base interactions energy: -1286.190
where: short stacking energy: -539.431
Base-Backbone interact. energy: -0.231
local terms energy: -609.876048
where:
bonds (distance) C4'-P energy: -108.375
bonds (distance) P-C4' energy: -134.408
flat angles C4'-P-C4' energy: -141.078
flat angles P-C4'-P energy: -84.205
tors. eta vs tors. theta energy: -141.811
Dist. restrs. and SS energy: 1.799 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -1849.817608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.817608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.379587 (E_RNA)
where:
Base-Base interactions energy: -1272.719
where: short stacking energy: -545.296
Base-Backbone interact. energy: -0.799
local terms energy: -581.861575
where:
bonds (distance) C4'-P energy: -103.082
bonds (distance) P-C4' energy: -132.713
flat angles C4'-P-C4' energy: -133.616
flat angles P-C4'-P energy: -66.583
tors. eta vs tors. theta energy: -145.867
Dist. restrs. and SS energy: 5.562 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -2906.776451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2906.776451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2909.265429 (E_RNA)
where:
Base-Base interactions energy: -2040.814
where: short stacking energy: -826.289
Base-Backbone interact. energy: -1.151
local terms energy: -867.300990
where:
bonds (distance) C4'-P energy: -158.135
bonds (distance) P-C4' energy: -160.378
flat angles C4'-P-C4' energy: -184.975
flat angles P-C4'-P energy: -128.535
tors. eta vs tors. theta energy: -235.277
Dist. restrs. and SS energy: 2.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -2757.113163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2757.113163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.940890 (E_RNA)
where:
Base-Base interactions energy: -1914.302
where: short stacking energy: -788.905
Base-Backbone interact. energy: -4.167
local terms energy: -840.471554
where:
bonds (distance) C4'-P energy: -144.527
bonds (distance) P-C4' energy: -158.679
flat angles C4'-P-C4' energy: -171.009
flat angles P-C4'-P energy: -131.769
tors. eta vs tors. theta energy: -234.488
Dist. restrs. and SS energy: 1.828 (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: 7
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -2603.133933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.133933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.149896 (E_RNA)
where:
Base-Base interactions energy: -1801.188
where: short stacking energy: -756.982
Base-Backbone interact. energy: 6.892
local terms energy: -810.854251
where:
bonds (distance) C4'-P energy: -157.288
bonds (distance) P-C4' energy: -144.616
flat angles C4'-P-C4' energy: -175.587
flat angles P-C4'-P energy: -115.091
tors. eta vs tors. theta energy: -218.272
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: 4, replica: 2
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -2412.990524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.990524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.063538 (E_RNA)
where:
Base-Base interactions energy: -1633.558
where: short stacking energy: -700.224
Base-Backbone interact. energy: -0.041
local terms energy: -781.465058
where:
bonds (distance) C4'-P energy: -139.156
bonds (distance) P-C4' energy: -139.774
flat angles C4'-P-C4' energy: -179.842
flat angles P-C4'-P energy: -107.129
tors. eta vs tors. theta energy: -215.564
Dist. restrs. and SS energy: 2.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -2311.092171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.092171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.421324 (E_RNA)
where:
Base-Base interactions energy: -1551.534
where: short stacking energy: -707.667
Base-Backbone interact. energy: -0.992
local terms energy: -760.895108
where:
bonds (distance) C4'-P energy: -140.342
bonds (distance) P-C4' energy: -156.865
flat angles C4'-P-C4' energy: -166.194
flat angles P-C4'-P energy: -98.227
tors. eta vs tors. theta energy: -199.267
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: 6, replica: 5
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -2141.675681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.675681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.138306 (E_RNA)
where:
Base-Base interactions energy: -1436.462
where: short stacking energy: -618.888
Base-Backbone interact. energy: 1.342
local terms energy: -709.018036
where:
bonds (distance) C4'-P energy: -139.590
bonds (distance) P-C4' energy: -153.640
flat angles C4'-P-C4' energy: -162.552
flat angles P-C4'-P energy: -102.196
tors. eta vs tors. theta energy: -151.039
Dist. restrs. and SS energy: 2.463 (S_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: 138
Temperature: 1.200000
Total energy: -2099.966281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.966281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.782099 (E_RNA)
where:
Base-Base interactions energy: -1412.165
where: short stacking energy: -605.017
Base-Backbone interact. energy: -3.700
local terms energy: -685.916873
where:
bonds (distance) C4'-P energy: -120.633
bonds (distance) P-C4' energy: -157.537
flat angles C4'-P-C4' energy: -141.208
flat angles P-C4'-P energy: -95.399
tors. eta vs tors. theta energy: -171.140
Dist. restrs. and SS energy: 1.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -2019.389090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.389090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.483415 (E_RNA)
where:
Base-Base interactions energy: -1368.801
where: short stacking energy: -589.223
Base-Backbone interact. energy: -0.243
local terms energy: -654.439793
where:
bonds (distance) C4'-P energy: -128.102
bonds (distance) P-C4' energy: -141.255
flat angles C4'-P-C4' energy: -147.709
flat angles P-C4'-P energy: -84.859
tors. eta vs tors. theta energy: -152.515
Dist. restrs. and SS energy: 4.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -1932.908043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.908043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.544180 (E_RNA)
where:
Base-Base interactions energy: -1271.987
where: short stacking energy: -539.494
Base-Backbone interact. energy: -0.954
local terms energy: -662.603285
where:
bonds (distance) C4'-P energy: -130.301
bonds (distance) P-C4' energy: -147.023
flat angles C4'-P-C4' energy: -139.032
flat angles P-C4'-P energy: -105.159
tors. eta vs tors. theta energy: -141.089
Dist. restrs. and SS energy: 2.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -1785.682829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.682829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.502742 (E_RNA)
where:
Base-Base interactions energy: -1257.468
where: short stacking energy: -504.306
Base-Backbone interact. energy: 4.146
local terms energy: -535.180854
where:
bonds (distance) C4'-P energy: -125.893
bonds (distance) P-C4' energy: -114.781
flat angles C4'-P-C4' energy: -110.265
flat angles P-C4'-P energy: -80.991
tors. eta vs tors. theta energy: -103.251
Dist. restrs. and SS energy: 2.820 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -2940.949444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2940.949444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2943.689607 (E_RNA)
where:
Base-Base interactions energy: -2069.150
where: short stacking energy: -857.490
Base-Backbone interact. energy: -2.630
local terms energy: -871.910195
where:
bonds (distance) C4'-P energy: -160.949
bonds (distance) P-C4' energy: -170.983
flat angles C4'-P-C4' energy: -177.774
flat angles P-C4'-P energy: -117.126
tors. eta vs tors. theta energy: -245.078
Dist. restrs. and SS energy: 2.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -2769.283431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.283431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2771.189067 (E_RNA)
where:
Base-Base interactions energy: -1892.431
where: short stacking energy: -793.911
Base-Backbone interact. energy: -2.671
local terms energy: -876.086962
where:
bonds (distance) C4'-P energy: -168.065
bonds (distance) P-C4' energy: -175.082
flat angles C4'-P-C4' energy: -181.557
flat angles P-C4'-P energy: -118.719
tors. eta vs tors. theta energy: -232.664
Dist. restrs. and SS energy: 1.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -2630.787127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.787127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.112248 (E_RNA)
where:
Base-Base interactions energy: -1825.083
where: short stacking energy: -780.999
Base-Backbone interact. energy: 4.600
local terms energy: -811.628710
where:
bonds (distance) C4'-P energy: -137.215
bonds (distance) P-C4' energy: -159.110
flat angles C4'-P-C4' energy: -177.618
flat angles P-C4'-P energy: -112.667
tors. eta vs tors. theta energy: -225.019
Dist. restrs. and SS energy: 1.325 (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: 139
Temperature: 1.050000
Total energy: -2376.525351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.525351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.757468 (E_RNA)
where:
Base-Base interactions energy: -1594.367
where: short stacking energy: -703.643
Base-Backbone interact. energy: -2.685
local terms energy: -780.705923
where:
bonds (distance) C4'-P energy: -151.150
bonds (distance) P-C4' energy: -135.960
flat angles C4'-P-C4' energy: -168.672
flat angles P-C4'-P energy: -114.041
tors. eta vs tors. theta energy: -210.883
Dist. restrs. and SS energy: 1.232 (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: 2
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -2357.208318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.208318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.542684 (E_RNA)
where:
Base-Base interactions energy: -1587.281
where: short stacking energy: -699.464
Base-Backbone interact. energy: -1.343
local terms energy: -771.918638
where:
bonds (distance) C4'-P energy: -151.585
bonds (distance) P-C4' energy: -133.142
flat angles C4'-P-C4' energy: -176.683
flat angles P-C4'-P energy: -100.147
tors. eta vs tors. theta energy: -210.362
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: 6, replica: 5
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -2162.108254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.108254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.411349 (E_RNA)
where:
Base-Base interactions energy: -1479.215
where: short stacking energy: -611.113
Base-Backbone interact. energy: -3.109
local terms energy: -681.087708
where:
bonds (distance) C4'-P energy: -147.614
bonds (distance) P-C4' energy: -139.127
flat angles C4'-P-C4' energy: -143.404
flat angles P-C4'-P energy: -92.868
tors. eta vs tors. theta energy: -158.074
Dist. restrs. and SS energy: 1.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -2003.230828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.230828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.982649 (E_RNA)
where:
Base-Base interactions energy: -1352.317
where: short stacking energy: -593.768
Base-Backbone interact. energy: -2.618
local terms energy: -651.048152
where:
bonds (distance) C4'-P energy: -135.423
bonds (distance) P-C4' energy: -132.999
flat angles C4'-P-C4' energy: -148.981
flat angles P-C4'-P energy: -79.108
tors. eta vs tors. theta energy: -154.539
Dist. restrs. and SS energy: 2.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -2006.288845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.288845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.183670 (E_RNA)
where:
Base-Base interactions energy: -1372.757
where: short stacking energy: -569.788
Base-Backbone interact. energy: -1.097
local terms energy: -635.330295
where:
bonds (distance) C4'-P energy: -96.507
bonds (distance) P-C4' energy: -136.974
flat angles C4'-P-C4' energy: -171.745
flat angles P-C4'-P energy: -88.188
tors. eta vs tors. theta energy: -141.916
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: 9, replica: 3
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -1963.958054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.958054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.081044 (E_RNA)
where:
Base-Base interactions energy: -1323.661
where: short stacking energy: -568.740
Base-Backbone interact. energy: 1.762
local terms energy: -645.181657
where:
bonds (distance) C4'-P energy: -116.604
bonds (distance) P-C4' energy: -134.917
flat angles C4'-P-C4' energy: -147.269
flat angles P-C4'-P energy: -96.124
tors. eta vs tors. theta energy: -150.267
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: 10, replica: 8
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -1827.902919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.902919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.764771 (E_RNA)
where:
Base-Base interactions energy: -1232.871
where: short stacking energy: -525.767
Base-Backbone interact. energy: 4.646
local terms energy: -604.539654
where:
bonds (distance) C4'-P energy: -142.102
bonds (distance) P-C4' energy: -120.628
flat angles C4'-P-C4' energy: -124.573
flat angles P-C4'-P energy: -80.891
tors. eta vs tors. theta energy: -136.346
Dist. restrs. and SS energy: 4.862 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -2932.844274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2932.844274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2935.076867 (E_RNA)
where:
Base-Base interactions energy: -2062.241
where: short stacking energy: -839.262
Base-Backbone interact. energy: -5.468
local terms energy: -867.367412
where:
bonds (distance) C4'-P energy: -157.446
bonds (distance) P-C4' energy: -168.315
flat angles C4'-P-C4' energy: -178.070
flat angles P-C4'-P energy: -115.705
tors. eta vs tors. theta energy: -247.833
Dist. restrs. and SS energy: 2.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -2757.115257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2757.115257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.765488 (E_RNA)
where:
Base-Base interactions energy: -1936.149
where: short stacking energy: -798.564
Base-Backbone interact. energy: -3.677
local terms energy: -818.938988
where:
bonds (distance) C4'-P energy: -139.296
bonds (distance) P-C4' energy: -138.822
flat angles C4'-P-C4' energy: -180.080
flat angles P-C4'-P energy: -129.283
tors. eta vs tors. theta energy: -231.458
Dist. restrs. and SS energy: 1.650 (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: 7
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -2587.180386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.180386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.056291 (E_RNA)
where:
Base-Base interactions energy: -1759.659
where: short stacking energy: -763.569
Base-Backbone interact. energy: 1.943
local terms energy: -831.340341
where:
bonds (distance) C4'-P energy: -145.623
bonds (distance) P-C4' energy: -162.084
flat angles C4'-P-C4' energy: -174.982
flat angles P-C4'-P energy: -132.741
tors. eta vs tors. theta energy: -215.910
Dist. restrs. and SS energy: 1.876 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -2370.012777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.012777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.639090 (E_RNA)
where:
Base-Base interactions energy: -1583.991
where: short stacking energy: -705.355
Base-Backbone interact. energy: -4.748
local terms energy: -783.900527
where:
bonds (distance) C4'-P energy: -157.309
bonds (distance) P-C4' energy: -143.240
flat angles C4'-P-C4' energy: -171.867
flat angles P-C4'-P energy: -118.159
tors. eta vs tors. theta energy: -193.326
Dist. restrs. and SS energy: 2.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -2298.471151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.471151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.209734 (E_RNA)
where:
Base-Base interactions energy: -1554.076
where: short stacking energy: -693.449
Base-Backbone interact. energy: -4.260
local terms energy: -741.873015
where:
bonds (distance) C4'-P energy: -146.943
bonds (distance) P-C4' energy: -137.512
flat angles C4'-P-C4' energy: -165.506
flat angles P-C4'-P energy: -92.215
tors. eta vs tors. theta energy: -199.697
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: 6, replica: 5
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -2139.865964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.865964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.066402 (E_RNA)
where:
Base-Base interactions energy: -1449.128
where: short stacking energy: -631.379
Base-Backbone interact. energy: 0.088
local terms energy: -693.026150
where:
bonds (distance) C4'-P energy: -128.019
bonds (distance) P-C4' energy: -149.558
flat angles C4'-P-C4' energy: -159.798
flat angles P-C4'-P energy: -99.686
tors. eta vs tors. theta energy: -155.965
Dist. restrs. and SS energy: 2.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -2114.180550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.180550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.951428 (E_RNA)
where:
Base-Base interactions energy: -1418.116
where: short stacking energy: -605.167
Base-Backbone interact. energy: -3.581
local terms energy: -694.254611
where:
bonds (distance) C4'-P energy: -141.040
bonds (distance) P-C4' energy: -145.278
flat angles C4'-P-C4' energy: -152.222
flat angles P-C4'-P energy: -92.406
tors. eta vs tors. theta energy: -163.308
Dist. restrs. and SS energy: 1.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -1973.437804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.437804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.391364 (E_RNA)
where:
Base-Base interactions energy: -1344.264
where: short stacking energy: -574.863
Base-Backbone interact. energy: 6.773
local terms energy: -637.900399
where:
bonds (distance) C4'-P energy: -135.263
bonds (distance) P-C4' energy: -145.237
flat angles C4'-P-C4' energy: -133.814
flat angles P-C4'-P energy: -82.934
tors. eta vs tors. theta energy: -140.653
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: 9, replica: 3
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -1967.580878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.580878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.985079 (E_RNA)
where:
Base-Base interactions energy: -1300.292
where: short stacking energy: -572.485
Base-Backbone interact. energy: -1.055
local terms energy: -673.638188
where:
bonds (distance) C4'-P energy: -128.846
bonds (distance) P-C4' energy: -136.759
flat angles C4'-P-C4' energy: -152.817
flat angles P-C4'-P energy: -88.172
tors. eta vs tors. theta energy: -167.043
Dist. restrs. and SS energy: 7.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -1838.437353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.437353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.733175 (E_RNA)
where:
Base-Base interactions energy: -1266.600
where: short stacking energy: -503.354
Base-Backbone interact. energy: 2.911
local terms energy: -580.044382
where:
bonds (distance) C4'-P energy: -126.332
bonds (distance) P-C4' energy: -140.007
flat angles C4'-P-C4' energy: -124.832
flat angles P-C4'-P energy: -72.123
tors. eta vs tors. theta energy: -116.750
Dist. restrs. and SS energy: 5.296 (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: 9
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -2928.700703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2928.700703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2931.143865 (E_RNA)
where:
Base-Base interactions energy: -2064.358
where: short stacking energy: -854.808
Base-Backbone interact. energy: -0.105
local terms energy: -866.681733
where:
bonds (distance) C4'-P energy: -163.684
bonds (distance) P-C4' energy: -160.391
flat angles C4'-P-C4' energy: -182.140
flat angles P-C4'-P energy: -117.754
tors. eta vs tors. theta energy: -242.713
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: 2, replica: 4
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -2753.669885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.669885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2755.211894 (E_RNA)
where:
Base-Base interactions energy: -1932.357
where: short stacking energy: -782.508
Base-Backbone interact. energy: 3.148
local terms energy: -826.003303
where:
bonds (distance) C4'-P energy: -154.726
bonds (distance) P-C4' energy: -142.787
flat angles C4'-P-C4' energy: -187.435
flat angles P-C4'-P energy: -117.064
tors. eta vs tors. theta energy: -223.992
Dist. restrs. and SS energy: 1.542 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -2618.422638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.422638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.771601 (E_RNA)
where:
Base-Base interactions energy: -1810.460
where: short stacking energy: -764.509
Base-Backbone interact. energy: -2.153
local terms energy: -807.159104
where:
bonds (distance) C4'-P energy: -148.747
bonds (distance) P-C4' energy: -138.881
flat angles C4'-P-C4' energy: -174.122
flat angles P-C4'-P energy: -122.734
tors. eta vs tors. theta energy: -222.674
Dist. restrs. and SS energy: 1.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -2377.397403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.397403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.806215 (E_RNA)
where:
Base-Base interactions energy: -1596.722
where: short stacking energy: -693.911
Base-Backbone interact. energy: -1.029
local terms energy: -781.055159
where:
bonds (distance) C4'-P energy: -137.002
bonds (distance) P-C4' energy: -167.104
flat angles C4'-P-C4' energy: -178.979
flat angles P-C4'-P energy: -98.783
tors. eta vs tors. theta energy: -199.188
Dist. restrs. and SS energy: 1.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -2325.143457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.143457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.864223 (E_RNA)
where:
Base-Base interactions energy: -1592.962
where: short stacking energy: -680.203
Base-Backbone interact. energy: 2.143
local terms energy: -737.044598
where:
bonds (distance) C4'-P energy: -144.258
bonds (distance) P-C4' energy: -156.615
flat angles C4'-P-C4' energy: -148.459
flat angles P-C4'-P energy: -103.202
tors. eta vs tors. theta energy: -184.510
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: 6, replica: 5
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -2178.527906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.527906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.809631 (E_RNA)
where:
Base-Base interactions energy: -1492.553
where: short stacking energy: -637.532
Base-Backbone interact. energy: -1.140
local terms energy: -688.116474
where:
bonds (distance) C4'-P energy: -135.546
bonds (distance) P-C4' energy: -119.914
flat angles C4'-P-C4' energy: -164.996
flat angles P-C4'-P energy: -100.116
tors. eta vs tors. theta energy: -167.545
Dist. restrs. and SS energy: 3.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -2086.258003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.258003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.919759 (E_RNA)
where:
Base-Base interactions energy: -1383.436
where: short stacking energy: -591.749
Base-Backbone interact. energy: -3.339
local terms energy: -702.145379
where:
bonds (distance) C4'-P energy: -133.740
bonds (distance) P-C4' energy: -167.266
flat angles C4'-P-C4' energy: -155.644
flat angles P-C4'-P energy: -95.390
tors. eta vs tors. theta energy: -150.105
Dist. restrs. and SS energy: 2.662 (S_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: 141
Temperature: 1.250000
Total energy: -1990.773158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.773158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.224465 (E_RNA)
where:
Base-Base interactions energy: -1366.724
where: short stacking energy: -560.900
Base-Backbone interact. energy: 4.667
local terms energy: -630.167351
where:
bonds (distance) C4'-P energy: -132.139
bonds (distance) P-C4' energy: -129.483
flat angles C4'-P-C4' energy: -144.809
flat angles P-C4'-P energy: -70.827
tors. eta vs tors. theta energy: -152.910
Dist. restrs. and SS energy: 1.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -1957.167118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.167118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.186600 (E_RNA)
where:
Base-Base interactions energy: -1329.144
where: short stacking energy: -549.989
Base-Backbone interact. energy: -1.779
local terms energy: -630.263773
where:
bonds (distance) C4'-P energy: -108.454
bonds (distance) P-C4' energy: -132.444
flat angles C4'-P-C4' energy: -150.552
flat angles P-C4'-P energy: -81.585
tors. eta vs tors. theta energy: -157.228
Dist. restrs. and SS energy: 4.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -1830.691186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.691186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.547937 (E_RNA)
where:
Base-Base interactions energy: -1263.807
where: short stacking energy: -513.032
Base-Backbone interact. energy: -0.910
local terms energy: -569.831125
where:
bonds (distance) C4'-P energy: -109.310
bonds (distance) P-C4' energy: -133.817
flat angles C4'-P-C4' energy: -138.525
flat angles P-C4'-P energy: -76.297
tors. eta vs tors. theta energy: -111.882
Dist. restrs. and SS energy: 3.857 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -2944.224221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2944.224221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2947.718430 (E_RNA)
where:
Base-Base interactions energy: -2059.384
where: short stacking energy: -867.468
Base-Backbone interact. energy: -0.768
local terms energy: -887.566381
where:
bonds (distance) C4'-P energy: -168.331
bonds (distance) P-C4' energy: -168.029
flat angles C4'-P-C4' energy: -191.354
flat angles P-C4'-P energy: -118.524
tors. eta vs tors. theta energy: -241.328
Dist. restrs. and SS energy: 3.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -2761.125105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2761.125105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.522485 (E_RNA)
where:
Base-Base interactions energy: -1935.719
where: short stacking energy: -799.648
Base-Backbone interact. energy: 3.306
local terms energy: -830.109906
where:
bonds (distance) C4'-P energy: -144.421
bonds (distance) P-C4' energy: -157.229
flat angles C4'-P-C4' energy: -177.401
flat angles P-C4'-P energy: -128.330
tors. eta vs tors. theta energy: -222.729
Dist. restrs. and SS energy: 1.397 (S_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: 142
Temperature: 1.000000
Total energy: -2601.607928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.607928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.666301 (E_RNA)
where:
Base-Base interactions energy: -1751.297
where: short stacking energy: -736.055
Base-Backbone interact. energy: -2.076
local terms energy: -849.293350
where:
bonds (distance) C4'-P energy: -148.391
bonds (distance) P-C4' energy: -162.162
flat angles C4'-P-C4' energy: -185.551
flat angles P-C4'-P energy: -130.120
tors. eta vs tors. theta energy: -223.071
Dist. restrs. and SS energy: 1.058 (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: 6
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -2404.256076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.256076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.378995 (E_RNA)
where:
Base-Base interactions energy: -1581.484
where: short stacking energy: -708.016
Base-Backbone interact. energy: -2.740
local terms energy: -821.154995
where:
bonds (distance) C4'-P energy: -159.137
bonds (distance) P-C4' energy: -160.840
flat angles C4'-P-C4' energy: -186.229
flat angles P-C4'-P energy: -105.312
tors. eta vs tors. theta energy: -209.636
Dist. restrs. and SS energy: 1.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -2259.756412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.756412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.550667 (E_RNA)
where:
Base-Base interactions energy: -1528.005
where: short stacking energy: -649.665
Base-Backbone interact. energy: 0.749
local terms energy: -735.294072
where:
bonds (distance) C4'-P energy: -142.998
bonds (distance) P-C4' energy: -149.484
flat angles C4'-P-C4' energy: -171.113
flat angles P-C4'-P energy: -91.521
tors. eta vs tors. theta energy: -180.178
Dist. restrs. and SS energy: 2.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -2182.051235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.051235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.593501 (E_RNA)
where:
Base-Base interactions energy: -1446.435
where: short stacking energy: -627.168
Base-Backbone interact. energy: -5.745
local terms energy: -732.412652
where:
bonds (distance) C4'-P energy: -146.599
bonds (distance) P-C4' energy: -144.796
flat angles C4'-P-C4' energy: -158.458
flat angles P-C4'-P energy: -111.592
tors. eta vs tors. theta energy: -170.966
Dist. restrs. and SS energy: 2.542 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -2103.701563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.701563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.879513 (E_RNA)
where:
Base-Base interactions energy: -1433.706
where: short stacking energy: -622.655
Base-Backbone interact. energy: 4.908
local terms energy: -676.081792
where:
bonds (distance) C4'-P energy: -130.541
bonds (distance) P-C4' energy: -119.320
flat angles C4'-P-C4' energy: -156.396
flat angles P-C4'-P energy: -105.368
tors. eta vs tors. theta energy: -164.457
Dist. restrs. and SS energy: 1.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -2026.259639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.259639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.093463 (E_RNA)
where:
Base-Base interactions energy: -1373.156
where: short stacking energy: -616.171
Base-Backbone interact. energy: 1.158
local terms energy: -657.096115
where:
bonds (distance) C4'-P energy: -129.921
bonds (distance) P-C4' energy: -133.693
flat angles C4'-P-C4' energy: -152.748
flat angles P-C4'-P energy: -81.161
tors. eta vs tors. theta energy: -159.574
Dist. restrs. and SS energy: 2.834 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -1989.052876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.052876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.609016 (E_RNA)
where:
Base-Base interactions energy: -1371.154
where: short stacking energy: -592.512
Base-Backbone interact. energy: 5.343
local terms energy: -625.797754
where:
bonds (distance) C4'-P energy: -105.562
bonds (distance) P-C4' energy: -118.023
flat angles C4'-P-C4' energy: -158.002
flat angles P-C4'-P energy: -88.766
tors. eta vs tors. theta energy: -155.445
Dist. restrs. and SS energy: 2.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -1781.782850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.782850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.910204 (E_RNA)
where:
Base-Base interactions energy: -1213.603
where: short stacking energy: -492.805
Base-Backbone interact. energy: -2.297
local terms energy: -574.010139
where:
bonds (distance) C4'-P energy: -132.986
bonds (distance) P-C4' energy: -119.430
flat angles C4'-P-C4' energy: -116.746
flat angles P-C4'-P energy: -89.851
tors. eta vs tors. theta energy: -114.997
Dist. restrs. and SS energy: 8.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -2947.888428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2947.888428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2950.402729 (E_RNA)
where:
Base-Base interactions energy: -2049.935
where: short stacking energy: -887.223
Base-Backbone interact. energy: 4.038
local terms energy: -904.505105
where:
bonds (distance) C4'-P energy: -156.994
bonds (distance) P-C4' energy: -171.774
flat angles C4'-P-C4' energy: -188.669
flat angles P-C4'-P energy: -127.732
tors. eta vs tors. theta energy: -259.336
Dist. restrs. and SS energy: 2.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -2774.076911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.076911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.660864 (E_RNA)
where:
Base-Base interactions energy: -1939.492
where: short stacking energy: -818.900
Base-Backbone interact. energy: -0.226
local terms energy: -836.942791
where:
bonds (distance) C4'-P energy: -131.709
bonds (distance) P-C4' energy: -176.557
flat angles C4'-P-C4' energy: -180.001
flat angles P-C4'-P energy: -117.133
tors. eta vs tors. theta energy: -231.543
Dist. restrs. and SS energy: 2.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -2603.001913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.001913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.845564 (E_RNA)
where:
Base-Base interactions energy: -1790.749
where: short stacking energy: -762.757
Base-Backbone interact. energy: -4.400
local terms energy: -809.696144
where:
bonds (distance) C4'-P energy: -159.820
bonds (distance) P-C4' energy: -143.054
flat angles C4'-P-C4' energy: -176.349
flat angles P-C4'-P energy: -106.753
tors. eta vs tors. theta energy: -223.719
Dist. restrs. and SS energy: 1.844 (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: 6
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -2363.648750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.648750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.111508 (E_RNA)
where:
Base-Base interactions energy: -1573.620
where: short stacking energy: -706.712
Base-Backbone interact. energy: -2.460
local terms energy: -789.031891
where:
bonds (distance) C4'-P energy: -148.984
bonds (distance) P-C4' energy: -156.086
flat angles C4'-P-C4' energy: -164.052
flat angles P-C4'-P energy: -106.931
tors. eta vs tors. theta energy: -212.979
Dist. restrs. and SS energy: 1.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -2347.274080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.274080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.401163 (E_RNA)
where:
Base-Base interactions energy: -1629.159
where: short stacking energy: -715.764
Base-Backbone interact. energy: 1.546
local terms energy: -721.788078
where:
bonds (distance) C4'-P energy: -127.206
bonds (distance) P-C4' energy: -153.866
flat angles C4'-P-C4' energy: -154.306
flat angles P-C4'-P energy: -94.561
tors. eta vs tors. theta energy: -191.850
Dist. restrs. and SS energy: 2.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -2201.254177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.254177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.708533 (E_RNA)
where:
Base-Base interactions energy: -1491.255
where: short stacking energy: -677.180
Base-Backbone interact. energy: -1.971
local terms energy: -710.482791
where:
bonds (distance) C4'-P energy: -133.106
bonds (distance) P-C4' energy: -147.579
flat angles C4'-P-C4' energy: -152.364
flat angles P-C4'-P energy: -98.366
tors. eta vs tors. theta energy: -179.068
Dist. restrs. and SS energy: 2.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -2137.137995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.137995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.490800 (E_RNA)
where:
Base-Base interactions energy: -1418.601
where: short stacking energy: -608.385
Base-Backbone interact. energy: -1.805
local terms energy: -719.084485
where:
bonds (distance) C4'-P energy: -136.337
bonds (distance) P-C4' energy: -137.873
flat angles C4'-P-C4' energy: -172.549
flat angles P-C4'-P energy: -98.842
tors. eta vs tors. theta energy: -173.483
Dist. restrs. and SS energy: 2.353 (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: 10
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -2004.295713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.295713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.522108 (E_RNA)
where:
Base-Base interactions energy: -1362.991
where: short stacking energy: -561.912
Base-Backbone interact. energy: -3.376
local terms energy: -643.154418
where:
bonds (distance) C4'-P energy: -146.387
bonds (distance) P-C4' energy: -131.746
flat angles C4'-P-C4' energy: -141.221
flat angles P-C4'-P energy: -81.013
tors. eta vs tors. theta energy: -142.789
Dist. restrs. and SS energy: 5.226 (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: 3
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -1962.511901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.511901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.669874 (E_RNA)
where:
Base-Base interactions energy: -1315.849
where: short stacking energy: -564.881
Base-Backbone interact. energy: 0.388
local terms energy: -650.208367
where:
bonds (distance) C4'-P energy: -130.305
bonds (distance) P-C4' energy: -126.919
flat angles C4'-P-C4' energy: -152.204
flat angles P-C4'-P energy: -99.883
tors. eta vs tors. theta energy: -140.897
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: 10, replica: 8
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -1844.901571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.901571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.585491 (E_RNA)
where:
Base-Base interactions energy: -1248.476
where: short stacking energy: -496.154
Base-Backbone interact. energy: -0.182
local terms energy: -598.927745
where:
bonds (distance) C4'-P energy: -128.061
bonds (distance) P-C4' energy: -117.305
flat angles C4'-P-C4' energy: -137.679
flat angles P-C4'-P energy: -96.016
tors. eta vs tors. theta energy: -119.866
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: 1, replica: 9
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -2924.614245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2924.614245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2927.076818 (E_RNA)
where:
Base-Base interactions energy: -2047.116
where: short stacking energy: -859.978
Base-Backbone interact. energy: -4.208
local terms energy: -875.753133
where:
bonds (distance) C4'-P energy: -167.009
bonds (distance) P-C4' energy: -154.922
flat angles C4'-P-C4' energy: -189.330
flat angles P-C4'-P energy: -113.328
tors. eta vs tors. theta energy: -251.165
Dist. restrs. and SS energy: 2.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -2728.485808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.485808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.108896 (E_RNA)
where:
Base-Base interactions energy: -1899.056
where: short stacking energy: -788.019
Base-Backbone interact. energy: 0.698
local terms energy: -833.751241
where:
bonds (distance) C4'-P energy: -145.483
bonds (distance) P-C4' energy: -154.458
flat angles C4'-P-C4' energy: -173.029
flat angles P-C4'-P energy: -123.371
tors. eta vs tors. theta energy: -237.410
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: 7
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -2633.178897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.178897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.328277 (E_RNA)
where:
Base-Base interactions energy: -1825.564
where: short stacking energy: -786.868
Base-Backbone interact. energy: 4.257
local terms energy: -814.021547
where:
bonds (distance) C4'-P energy: -137.440
bonds (distance) P-C4' energy: -156.790
flat angles C4'-P-C4' energy: -166.331
flat angles P-C4'-P energy: -123.752
tors. eta vs tors. theta energy: -229.708
Dist. restrs. and SS energy: 2.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -2394.585776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.585776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.336034 (E_RNA)
where:
Base-Base interactions energy: -1617.151
where: short stacking energy: -698.251
Base-Backbone interact. energy: -2.474
local terms energy: -776.710917
where:
bonds (distance) C4'-P energy: -147.338
bonds (distance) P-C4' energy: -151.089
flat angles C4'-P-C4' energy: -167.526
flat angles P-C4'-P energy: -106.661
tors. eta vs tors. theta energy: -204.097
Dist. restrs. and SS energy: 1.750 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -2329.703562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.703562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.137354 (E_RNA)
where:
Base-Base interactions energy: -1597.699
where: short stacking energy: -702.593
Base-Backbone interact. energy: -3.597
local terms energy: -730.840554
where:
bonds (distance) C4'-P energy: -135.413
bonds (distance) P-C4' energy: -142.318
flat angles C4'-P-C4' energy: -153.735
flat angles P-C4'-P energy: -107.868
tors. eta vs tors. theta energy: -191.506
Dist. restrs. and SS energy: 2.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -2218.220918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.220918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.413568 (E_RNA)
where:
Base-Base interactions energy: -1497.859
where: short stacking energy: -642.578
Base-Backbone interact. energy: -1.668
local terms energy: -719.886134
where:
bonds (distance) C4'-P energy: -138.738
bonds (distance) P-C4' energy: -143.790
flat angles C4'-P-C4' energy: -164.826
flat angles P-C4'-P energy: -103.572
tors. eta vs tors. theta energy: -168.961
Dist. restrs. and SS energy: 1.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -2093.198697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.198697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.603748 (E_RNA)
where:
Base-Base interactions energy: -1424.116
where: short stacking energy: -607.288
Base-Backbone interact. energy: -2.161
local terms energy: -670.326562
where:
bonds (distance) C4'-P energy: -124.943
bonds (distance) P-C4' energy: -142.519
flat angles C4'-P-C4' energy: -167.220
flat angles P-C4'-P energy: -64.675
tors. eta vs tors. theta energy: -170.970
Dist. restrs. and SS energy: 3.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -2020.952004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.952004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.702207 (E_RNA)
where:
Base-Base interactions energy: -1355.227
where: short stacking energy: -579.836
Base-Backbone interact. energy: -1.193
local terms energy: -666.282341
where:
bonds (distance) C4'-P energy: -140.499
bonds (distance) P-C4' energy: -137.807
flat angles C4'-P-C4' energy: -156.674
flat angles P-C4'-P energy: -105.365
tors. eta vs tors. theta energy: -125.938
Dist. restrs. and SS energy: 1.750 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -2017.001856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.001856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.350258 (E_RNA)
where:
Base-Base interactions energy: -1389.394
where: short stacking energy: -580.164
Base-Backbone interact. energy: -1.671
local terms energy: -628.285335
where:
bonds (distance) C4'-P energy: -113.133
bonds (distance) P-C4' energy: -130.026
flat angles C4'-P-C4' energy: -147.735
flat angles P-C4'-P energy: -86.873
tors. eta vs tors. theta energy: -150.519
Dist. restrs. and SS energy: 2.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -1826.052851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.052851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.506529 (E_RNA)
where:
Base-Base interactions energy: -1232.377
where: short stacking energy: -508.991
Base-Backbone interact. energy: 4.234
local terms energy: -602.363694
where:
bonds (distance) C4'-P energy: -102.515
bonds (distance) P-C4' energy: -140.394
flat angles C4'-P-C4' energy: -149.708
flat angles P-C4'-P energy: -75.694
tors. eta vs tors. theta energy: -134.052
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: 1, replica: 9
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -2952.711874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2952.711874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2955.625813 (E_RNA)
where:
Base-Base interactions energy: -2041.542
where: short stacking energy: -834.654
Base-Backbone interact. energy: -2.774
local terms energy: -911.310044
where:
bonds (distance) C4'-P energy: -173.901
bonds (distance) P-C4' energy: -174.132
flat angles C4'-P-C4' energy: -190.569
flat angles P-C4'-P energy: -124.786
tors. eta vs tors. theta energy: -247.922
Dist. restrs. and SS energy: 2.914 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -2768.936109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2768.936109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.405193 (E_RNA)
where:
Base-Base interactions energy: -1912.135
where: short stacking energy: -805.156
Base-Backbone interact. energy: -4.110
local terms energy: -854.159862
where:
bonds (distance) C4'-P energy: -156.576
bonds (distance) P-C4' energy: -165.493
flat angles C4'-P-C4' energy: -179.768
flat angles P-C4'-P energy: -110.887
tors. eta vs tors. theta energy: -241.437
Dist. restrs. and SS energy: 1.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -2638.192456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.192456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.631780 (E_RNA)
where:
Base-Base interactions energy: -1833.894
where: short stacking energy: -769.090
Base-Backbone interact. energy: -2.145
local terms energy: -803.592799
where:
bonds (distance) C4'-P energy: -159.800
bonds (distance) P-C4' energy: -145.629
flat angles C4'-P-C4' energy: -168.331
flat angles P-C4'-P energy: -110.829
tors. eta vs tors. theta energy: -219.004
Dist. restrs. and SS energy: 1.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -2428.898906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.898906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.636425 (E_RNA)
where:
Base-Base interactions energy: -1625.219
where: short stacking energy: -708.672
Base-Backbone interact. energy: 1.036
local terms energy: -806.453426
where:
bonds (distance) C4'-P energy: -155.380
bonds (distance) P-C4' energy: -132.775
flat angles C4'-P-C4' energy: -185.031
flat angles P-C4'-P energy: -127.208
tors. eta vs tors. theta energy: -206.060
Dist. restrs. and SS energy: 1.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -2348.313104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.313104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.667525 (E_RNA)
where:
Base-Base interactions energy: -1623.018
where: short stacking energy: -680.253
Base-Backbone interact. energy: 1.767
local terms energy: -729.416068
where:
bonds (distance) C4'-P energy: -152.581
bonds (distance) P-C4' energy: -134.230
flat angles C4'-P-C4' energy: -161.064
flat angles P-C4'-P energy: -106.117
tors. eta vs tors. theta energy: -175.424
Dist. restrs. and SS energy: 2.354 (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: 5
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -2193.186923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.186923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.666430 (E_RNA)
where:
Base-Base interactions energy: -1502.238
where: short stacking energy: -647.794
Base-Backbone interact. energy: -1.008
local terms energy: -691.421264
where:
bonds (distance) C4'-P energy: -127.637
bonds (distance) P-C4' energy: -131.849
flat angles C4'-P-C4' energy: -161.621
flat angles P-C4'-P energy: -88.584
tors. eta vs tors. theta energy: -181.731
Dist. restrs. and SS energy: 1.480 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -2113.719791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.719791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.484889 (E_RNA)
where:
Base-Base interactions energy: -1432.975
where: short stacking energy: -621.672
Base-Backbone interact. energy: -0.049
local terms energy: -682.461134
where:
bonds (distance) C4'-P energy: -126.629
bonds (distance) P-C4' energy: -159.308
flat angles C4'-P-C4' energy: -143.233
flat angles P-C4'-P energy: -81.109
tors. eta vs tors. theta energy: -172.182
Dist. restrs. and SS energy: 1.765 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -2014.484184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.484184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.908114 (E_RNA)
where:
Base-Base interactions energy: -1354.736
where: short stacking energy: -594.000
Base-Backbone interact. energy: -1.443
local terms energy: -661.729021
where:
bonds (distance) C4'-P energy: -131.926
bonds (distance) P-C4' energy: -132.455
flat angles C4'-P-C4' energy: -148.831
flat angles P-C4'-P energy: -91.612
tors. eta vs tors. theta energy: -156.906
Dist. restrs. and SS energy: 3.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -1942.907106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.907106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.830543 (E_RNA)
where:
Base-Base interactions energy: -1357.131
where: short stacking energy: -546.477
Base-Backbone interact. energy: 7.231
local terms energy: -594.930759
where:
bonds (distance) C4'-P energy: -117.307
bonds (distance) P-C4' energy: -113.394
flat angles C4'-P-C4' energy: -145.368
flat angles P-C4'-P energy: -77.169
tors. eta vs tors. theta energy: -141.693
Dist. restrs. and SS energy: 1.923 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -1871.270300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.270300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.171872 (E_RNA)
where:
Base-Base interactions energy: -1297.723
where: short stacking energy: -541.601
Base-Backbone interact. energy: 4.735
local terms energy: -583.184151
where:
bonds (distance) C4'-P energy: -132.879
bonds (distance) P-C4' energy: -120.526
flat angles C4'-P-C4' energy: -136.449
flat angles P-C4'-P energy: -67.345
tors. eta vs tors. theta energy: -125.984
Dist. restrs. and SS energy: 4.902 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -2943.452373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2943.452373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2945.853508 (E_RNA)
where:
Base-Base interactions energy: -2051.221
where: short stacking energy: -841.240
Base-Backbone interact. energy: -1.658
local terms energy: -892.974447
where:
bonds (distance) C4'-P energy: -162.872
bonds (distance) P-C4' energy: -169.975
flat angles C4'-P-C4' energy: -190.511
flat angles P-C4'-P energy: -114.618
tors. eta vs tors. theta energy: -254.998
Dist. restrs. and SS energy: 2.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -2746.613461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.613461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.486353 (E_RNA)
where:
Base-Base interactions energy: -1901.320
where: short stacking energy: -810.607
Base-Backbone interact. energy: -4.353
local terms energy: -842.813274
where:
bonds (distance) C4'-P energy: -153.591
bonds (distance) P-C4' energy: -165.490
flat angles C4'-P-C4' energy: -171.217
flat angles P-C4'-P energy: -120.736
tors. eta vs tors. theta energy: -231.779
Dist. restrs. and SS energy: 1.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -2603.999850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.999850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.486131 (E_RNA)
where:
Base-Base interactions energy: -1764.234
where: short stacking energy: -765.239
Base-Backbone interact. energy: 0.532
local terms energy: -841.784274
where:
bonds (distance) C4'-P energy: -148.654
bonds (distance) P-C4' energy: -168.128
flat angles C4'-P-C4' energy: -185.753
flat angles P-C4'-P energy: -109.738
tors. eta vs tors. theta energy: -229.511
Dist. restrs. and SS energy: 1.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -2414.864171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.864171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.993525 (E_RNA)
where:
Base-Base interactions energy: -1632.329
where: short stacking energy: -707.934
Base-Backbone interact. energy: -2.537
local terms energy: -781.127742
where:
bonds (distance) C4'-P energy: -134.125
bonds (distance) P-C4' energy: -149.335
flat angles C4'-P-C4' energy: -172.297
flat angles P-C4'-P energy: -115.123
tors. eta vs tors. theta energy: -210.248
Dist. restrs. and SS energy: 1.129 (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: 146
Temperature: 1.100000
Total energy: -2336.514460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.514460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.997034 (E_RNA)
where:
Base-Base interactions energy: -1586.411
where: short stacking energy: -688.435
Base-Backbone interact. energy: -0.519
local terms energy: -752.067752
where:
bonds (distance) C4'-P energy: -155.943
bonds (distance) P-C4' energy: -137.920
flat angles C4'-P-C4' energy: -155.321
flat angles P-C4'-P energy: -95.402
tors. eta vs tors. theta energy: -207.482
Dist. restrs. and SS energy: 2.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -2188.533761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.533761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.858852 (E_RNA)
where:
Base-Base interactions energy: -1483.570
where: short stacking energy: -642.510
Base-Backbone interact. energy: -0.505
local terms energy: -706.784251
where:
bonds (distance) C4'-P energy: -143.255
bonds (distance) P-C4' energy: -134.507
flat angles C4'-P-C4' energy: -162.338
flat angles P-C4'-P energy: -96.911
tors. eta vs tors. theta energy: -169.773
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: 7, replica: 1
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -2078.908402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.908402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.004277 (E_RNA)
where:
Base-Base interactions energy: -1410.546
where: short stacking energy: -640.213
Base-Backbone interact. energy: 3.274
local terms energy: -674.732161
where:
bonds (distance) C4'-P energy: -127.939
bonds (distance) P-C4' energy: -138.550
flat angles C4'-P-C4' energy: -153.342
flat angles P-C4'-P energy: -95.139
tors. eta vs tors. theta energy: -159.763
Dist. restrs. and SS energy: 3.096 (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: 3
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -2008.812690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.812690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.772163 (E_RNA)
where:
Base-Base interactions energy: -1396.507
where: short stacking energy: -581.762
Base-Backbone interact. energy: 1.154
local terms energy: -617.419084
where:
bonds (distance) C4'-P energy: -141.336
bonds (distance) P-C4' energy: -125.542
flat angles C4'-P-C4' energy: -144.403
flat angles P-C4'-P energy: -75.252
tors. eta vs tors. theta energy: -130.886
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: 9, replica: 10
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -1943.002144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.002144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.937236 (E_RNA)
where:
Base-Base interactions energy: -1309.877
where: short stacking energy: -567.662
Base-Backbone interact. energy: -2.970
local terms energy: -634.089985
where:
bonds (distance) C4'-P energy: -119.128
bonds (distance) P-C4' energy: -141.917
flat angles C4'-P-C4' energy: -127.610
flat angles P-C4'-P energy: -94.200
tors. eta vs tors. theta energy: -151.236
Dist. restrs. and SS energy: 3.935 (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: 8
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -1855.093233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.093233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.540607 (E_RNA)
where:
Base-Base interactions energy: -1267.018
where: short stacking energy: -540.752
Base-Backbone interact. energy: 0.615
local terms energy: -594.137118
where:
bonds (distance) C4'-P energy: -131.030
bonds (distance) P-C4' energy: -118.125
flat angles C4'-P-C4' energy: -138.879
flat angles P-C4'-P energy: -72.395
tors. eta vs tors. theta energy: -133.708
Dist. restrs. and SS energy: 5.447 (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: 9
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -2929.687479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2929.687479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2931.213119 (E_RNA)
where:
Base-Base interactions energy: -2037.193
where: short stacking energy: -821.667
Base-Backbone interact. energy: -1.834
local terms energy: -892.186114
where:
bonds (distance) C4'-P energy: -172.729
bonds (distance) P-C4' energy: -161.634
flat angles C4'-P-C4' energy: -185.066
flat angles P-C4'-P energy: -125.246
tors. eta vs tors. theta energy: -247.511
Dist. restrs. and SS energy: 1.526 (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: 4
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -2807.764919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.764919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.421524 (E_RNA)
where:
Base-Base interactions energy: -1955.562
where: short stacking energy: -807.511
Base-Backbone interact. energy: -0.939
local terms energy: -852.920314
where:
bonds (distance) C4'-P energy: -168.328
bonds (distance) P-C4' energy: -168.823
flat angles C4'-P-C4' energy: -172.682
flat angles P-C4'-P energy: -106.737
tors. eta vs tors. theta energy: -236.350
Dist. restrs. and SS energy: 1.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -2589.626140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.626140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.309000 (E_RNA)
where:
Base-Base interactions energy: -1765.034
where: short stacking energy: -759.589
Base-Backbone interact. energy: -2.794
local terms energy: -823.480631
where:
bonds (distance) C4'-P energy: -150.574
bonds (distance) P-C4' energy: -151.152
flat angles C4'-P-C4' energy: -173.406
flat angles P-C4'-P energy: -121.400
tors. eta vs tors. theta energy: -226.950
Dist. restrs. and SS energy: 1.683 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -2409.205316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.205316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.926387 (E_RNA)
where:
Base-Base interactions energy: -1637.148
where: short stacking energy: -725.564
Base-Backbone interact. energy: 1.497
local terms energy: -775.275804
where:
bonds (distance) C4'-P energy: -139.991
bonds (distance) P-C4' energy: -154.821
flat angles C4'-P-C4' energy: -172.181
flat angles P-C4'-P energy: -114.944
tors. eta vs tors. theta energy: -193.339
Dist. restrs. and SS energy: 1.721 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -2337.473836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.473836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.519698 (E_RNA)
where:
Base-Base interactions energy: -1568.987
where: short stacking energy: -690.091
Base-Backbone interact. energy: -2.260
local terms energy: -769.272764
where:
bonds (distance) C4'-P energy: -131.363
bonds (distance) P-C4' energy: -135.049
flat angles C4'-P-C4' energy: -167.132
flat angles P-C4'-P energy: -127.254
tors. eta vs tors. theta energy: -208.475
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: 6, replica: 5
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -2175.948298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.948298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.229888 (E_RNA)
where:
Base-Base interactions energy: -1491.369
where: short stacking energy: -662.693
Base-Backbone interact. energy: -1.951
local terms energy: -684.910272
where:
bonds (distance) C4'-P energy: -120.325
bonds (distance) P-C4' energy: -110.350
flat angles C4'-P-C4' energy: -177.520
flat angles P-C4'-P energy: -91.523
tors. eta vs tors. theta energy: -185.192
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: 7, replica: 1
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -2094.818774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.818774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.502068 (E_RNA)
where:
Base-Base interactions energy: -1388.026
where: short stacking energy: -615.488
Base-Backbone interact. energy: -3.611
local terms energy: -704.865449
where:
bonds (distance) C4'-P energy: -137.991
bonds (distance) P-C4' energy: -153.950
flat angles C4'-P-C4' energy: -149.591
flat angles P-C4'-P energy: -97.853
tors. eta vs tors. theta energy: -165.479
Dist. restrs. and SS energy: 1.683 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -2063.249375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.249375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.250939 (E_RNA)
where:
Base-Base interactions energy: -1372.654
where: short stacking energy: -602.477
Base-Backbone interact. energy: -2.433
local terms energy: -691.163345
where:
bonds (distance) C4'-P energy: -130.756
bonds (distance) P-C4' energy: -123.055
flat angles C4'-P-C4' energy: -163.928
flat angles P-C4'-P energy: -105.992
tors. eta vs tors. theta energy: -167.432
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: 9, replica: 10
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -1874.493485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.493485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.442105 (E_RNA)
where:
Base-Base interactions energy: -1278.232
where: short stacking energy: -530.120
Base-Backbone interact. energy: 2.240
local terms energy: -603.450520
where:
bonds (distance) C4'-P energy: -119.900
bonds (distance) P-C4' energy: -122.418
flat angles C4'-P-C4' energy: -138.556
flat angles P-C4'-P energy: -91.723
tors. eta vs tors. theta energy: -130.854
Dist. restrs. and SS energy: 4.949 (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: 8
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -1831.056811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.056811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.185409 (E_RNA)
where:
Base-Base interactions energy: -1247.767
where: short stacking energy: -517.476
Base-Backbone interact. energy: -1.250
local terms energy: -585.168639
where:
bonds (distance) C4'-P energy: -125.572
bonds (distance) P-C4' energy: -119.888
flat angles C4'-P-C4' energy: -116.126
flat angles P-C4'-P energy: -85.866
tors. eta vs tors. theta energy: -137.716
Dist. restrs. and SS energy: 3.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -2967.767382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2967.767382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2970.094950 (E_RNA)
where:
Base-Base interactions energy: -2081.065
where: short stacking energy: -862.696
Base-Backbone interact. energy: -2.446
local terms energy: -886.583553
where:
bonds (distance) C4'-P energy: -169.880
bonds (distance) P-C4' energy: -162.201
flat angles C4'-P-C4' energy: -181.545
flat angles P-C4'-P energy: -121.307
tors. eta vs tors. theta energy: -251.651
Dist. restrs. and SS energy: 2.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -2764.603752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.603752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.192315 (E_RNA)
where:
Base-Base interactions energy: -1929.114
where: short stacking energy: -826.908
Base-Backbone interact. energy: -4.674
local terms energy: -832.403461
where:
bonds (distance) C4'-P energy: -153.985
bonds (distance) P-C4' energy: -144.771
flat angles C4'-P-C4' energy: -171.361
flat angles P-C4'-P energy: -121.286
tors. eta vs tors. theta energy: -241.001
Dist. restrs. and SS energy: 1.589 (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: 7
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -2620.883003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.883003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.140808 (E_RNA)
where:
Base-Base interactions energy: -1815.103
where: short stacking energy: -795.108
Base-Backbone interact. energy: -3.146
local terms energy: -803.892052
where:
bonds (distance) C4'-P energy: -133.821
bonds (distance) P-C4' energy: -138.702
flat angles C4'-P-C4' energy: -177.815
flat angles P-C4'-P energy: -126.377
tors. eta vs tors. theta energy: -227.177
Dist. restrs. and SS energy: 1.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -2435.839311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.839311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.492609 (E_RNA)
where:
Base-Base interactions energy: -1624.644
where: short stacking energy: -724.393
Base-Backbone interact. energy: -0.460
local terms energy: -813.388764
where:
bonds (distance) C4'-P energy: -152.301
bonds (distance) P-C4' energy: -160.814
flat angles C4'-P-C4' energy: -159.750
flat angles P-C4'-P energy: -124.102
tors. eta vs tors. theta energy: -216.422
Dist. restrs. and SS energy: 2.653 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -2269.020396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.020396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.624870 (E_RNA)
where:
Base-Base interactions energy: -1513.827
where: short stacking energy: -656.477
Base-Backbone interact. energy: -4.573
local terms energy: -752.224496
where:
bonds (distance) C4'-P energy: -134.000
bonds (distance) P-C4' energy: -165.387
flat angles C4'-P-C4' energy: -154.602
flat angles P-C4'-P energy: -102.176
tors. eta vs tors. theta energy: -196.060
Dist. restrs. and SS energy: 1.604 (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: 148
Temperature: 1.150000
Total energy: -2180.939693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.939693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.873410 (E_RNA)
where:
Base-Base interactions energy: -1474.260
where: short stacking energy: -634.865
Base-Backbone interact. energy: 3.581
local terms energy: -712.194277
where:
bonds (distance) C4'-P energy: -135.941
bonds (distance) P-C4' energy: -132.353
flat angles C4'-P-C4' energy: -168.476
flat angles P-C4'-P energy: -97.784
tors. eta vs tors. theta energy: -177.641
Dist. restrs. and SS energy: 1.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -2096.950253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.950253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.252295 (E_RNA)
where:
Base-Base interactions energy: -1378.347
where: short stacking energy: -585.482
Base-Backbone interact. energy: -2.741
local terms energy: -718.164436
where:
bonds (distance) C4'-P energy: -142.365
bonds (distance) P-C4' energy: -146.143
flat angles C4'-P-C4' energy: -167.601
flat angles P-C4'-P energy: -104.590
tors. eta vs tors. theta energy: -157.466
Dist. restrs. and SS energy: 2.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -2007.106831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.106831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.902135 (E_RNA)
where:
Base-Base interactions energy: -1349.200
where: short stacking energy: -558.925
Base-Backbone interact. energy: -1.588
local terms energy: -659.113809
where:
bonds (distance) C4'-P energy: -123.801
bonds (distance) P-C4' energy: -165.971
flat angles C4'-P-C4' energy: -142.860
flat angles P-C4'-P energy: -85.857
tors. eta vs tors. theta energy: -140.624
Dist. restrs. and SS energy: 2.795 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -1865.314569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.314569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.408574 (E_RNA)
where:
Base-Base interactions energy: -1265.219
where: short stacking energy: -533.489
Base-Backbone interact. energy: 0.925
local terms energy: -609.113878
where:
bonds (distance) C4'-P energy: -129.452
bonds (distance) P-C4' energy: -143.563
flat angles C4'-P-C4' energy: -131.826
flat angles P-C4'-P energy: -91.536
tors. eta vs tors. theta energy: -112.737
Dist. restrs. and SS energy: 8.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -1835.672611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.672611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.217605 (E_RNA)
where:
Base-Base interactions energy: -1266.948
where: short stacking energy: -525.423
Base-Backbone interact. energy: -4.155
local terms energy: -569.113866
where:
bonds (distance) C4'-P energy: -122.357
bonds (distance) P-C4' energy: -124.102
flat angles C4'-P-C4' energy: -127.030
flat angles P-C4'-P energy: -81.177
tors. eta vs tors. theta energy: -114.449
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: 1, replica: 9
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -2954.984775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2954.984775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2957.628388 (E_RNA)
where:
Base-Base interactions energy: -2060.878
where: short stacking energy: -847.383
Base-Backbone interact. energy: -1.141
local terms energy: -895.610002
where:
bonds (distance) C4'-P energy: -159.626
bonds (distance) P-C4' energy: -167.324
flat angles C4'-P-C4' energy: -194.112
flat angles P-C4'-P energy: -129.133
tors. eta vs tors. theta energy: -245.416
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: 2, replica: 4
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -2785.372246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.372246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.685504 (E_RNA)
where:
Base-Base interactions energy: -1914.791
where: short stacking energy: -800.542
Base-Backbone interact. energy: 1.558
local terms energy: -874.452519
where:
bonds (distance) C4'-P energy: -156.770
bonds (distance) P-C4' energy: -173.929
flat angles C4'-P-C4' energy: -190.538
flat angles P-C4'-P energy: -123.692
tors. eta vs tors. theta energy: -229.523
Dist. restrs. and SS energy: 2.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -2582.326122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.326122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.091343 (E_RNA)
where:
Base-Base interactions energy: -1760.498
where: short stacking energy: -764.260
Base-Backbone interact. energy: 0.570
local terms energy: -825.163161
where:
bonds (distance) C4'-P energy: -146.979
bonds (distance) P-C4' energy: -159.931
flat angles C4'-P-C4' energy: -168.557
flat angles P-C4'-P energy: -137.966
tors. eta vs tors. theta energy: -211.730
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: 4, replica: 6
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -2356.847568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.847568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.718054 (E_RNA)
where:
Base-Base interactions energy: -1572.471
where: short stacking energy: -688.136
Base-Backbone interact. energy: 0.268
local terms energy: -786.515786
where:
bonds (distance) C4'-P energy: -144.326
bonds (distance) P-C4' energy: -152.631
flat angles C4'-P-C4' energy: -172.784
flat angles P-C4'-P energy: -114.085
tors. eta vs tors. theta energy: -202.689
Dist. restrs. and SS energy: 1.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -2297.097633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.097633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.389227 (E_RNA)
where:
Base-Base interactions energy: -1556.186
where: short stacking energy: -682.672
Base-Backbone interact. energy: -2.688
local terms energy: -740.515318
where:
bonds (distance) C4'-P energy: -153.608
bonds (distance) P-C4' energy: -139.572
flat angles C4'-P-C4' energy: -159.517
flat angles P-C4'-P energy: -94.331
tors. eta vs tors. theta energy: -193.488
Dist. restrs. and SS energy: 2.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -2213.435110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.435110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.567888 (E_RNA)
where:
Base-Base interactions energy: -1486.723
where: short stacking energy: -641.629
Base-Backbone interact. energy: 2.909
local terms energy: -732.754226
where:
bonds (distance) C4'-P energy: -138.976
bonds (distance) P-C4' energy: -140.350
flat angles C4'-P-C4' energy: -157.555
flat angles P-C4'-P energy: -108.721
tors. eta vs tors. theta energy: -187.152
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: 7, replica: 1
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -2087.681934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.681934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.848648 (E_RNA)
where:
Base-Base interactions energy: -1419.293
where: short stacking energy: -609.409
Base-Backbone interact. energy: 0.762
local terms energy: -671.317765
where:
bonds (distance) C4'-P energy: -113.355
bonds (distance) P-C4' energy: -155.195
flat angles C4'-P-C4' energy: -157.895
flat angles P-C4'-P energy: -82.227
tors. eta vs tors. theta energy: -162.646
Dist. restrs. and SS energy: 2.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -2026.361155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.361155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.860773 (E_RNA)
where:
Base-Base interactions energy: -1381.048
where: short stacking energy: -576.865
Base-Backbone interact. energy: -2.685
local terms energy: -645.128240
where:
bonds (distance) C4'-P energy: -125.451
bonds (distance) P-C4' energy: -137.612
flat angles C4'-P-C4' energy: -144.630
flat angles P-C4'-P energy: -76.332
tors. eta vs tors. theta energy: -161.103
Dist. restrs. and SS energy: 2.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -1853.771269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.771269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.540479 (E_RNA)
where:
Base-Base interactions energy: -1245.344
where: short stacking energy: -531.264
Base-Backbone interact. energy: -1.485
local terms energy: -615.711206
where:
bonds (distance) C4'-P energy: -123.048
bonds (distance) P-C4' energy: -142.615
flat angles C4'-P-C4' energy: -137.528
flat angles P-C4'-P energy: -84.522
tors. eta vs tors. theta energy: -127.998
Dist. restrs. and SS energy: 8.769 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -1841.723910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.723910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.102432 (E_RNA)
where:
Base-Base interactions energy: -1261.617
where: short stacking energy: -527.164
Base-Backbone interact. energy: -0.948
local terms energy: -583.537468
where:
bonds (distance) C4'-P energy: -116.715
bonds (distance) P-C4' energy: -107.901
flat angles C4'-P-C4' energy: -140.315
flat angles P-C4'-P energy: -86.495
tors. eta vs tors. theta energy: -132.112
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: 1, replica: 9
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -2937.309482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2937.309482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2940.026029 (E_RNA)
where:
Base-Base interactions energy: -2058.816
where: short stacking energy: -840.302
Base-Backbone interact. energy: 1.176
local terms energy: -882.385570
where:
bonds (distance) C4'-P energy: -164.882
bonds (distance) P-C4' energy: -149.087
flat angles C4'-P-C4' energy: -189.714
flat angles P-C4'-P energy: -129.887
tors. eta vs tors. theta energy: -248.816
Dist. restrs. and SS energy: 2.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -2766.722471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.722471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.504732 (E_RNA)
where:
Base-Base interactions energy: -1916.195
where: short stacking energy: -794.101
Base-Backbone interact. energy: -5.421
local terms energy: -846.888466
where:
bonds (distance) C4'-P energy: -150.592
bonds (distance) P-C4' energy: -165.979
flat angles C4'-P-C4' energy: -172.724
flat angles P-C4'-P energy: -122.103
tors. eta vs tors. theta energy: -235.491
Dist. restrs. and SS energy: 1.782 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -2618.425449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.425449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.386594 (E_RNA)
where:
Base-Base interactions energy: -1787.936
where: short stacking energy: -739.812
Base-Backbone interact. energy: -2.348
local terms energy: -830.102041
where:
bonds (distance) C4'-P energy: -152.969
bonds (distance) P-C4' energy: -169.397
flat angles C4'-P-C4' energy: -170.881
flat angles P-C4'-P energy: -122.633
tors. eta vs tors. theta energy: -214.222
Dist. restrs. and SS energy: 1.961 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -2353.997811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.997811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.726469 (E_RNA)
where:
Base-Base interactions energy: -1576.910
where: short stacking energy: -708.902
Base-Backbone interact. energy: -2.920
local terms energy: -775.896395
where:
bonds (distance) C4'-P energy: -138.999
bonds (distance) P-C4' energy: -136.436
flat angles C4'-P-C4' energy: -177.633
flat angles P-C4'-P energy: -121.344
tors. eta vs tors. theta energy: -201.484
Dist. restrs. and SS energy: 1.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -2341.079081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.079081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.959407 (E_RNA)
where:
Base-Base interactions energy: -1609.785
where: short stacking energy: -715.336
Base-Backbone interact. energy: 0.604
local terms energy: -733.777697
where:
bonds (distance) C4'-P energy: -144.524
bonds (distance) P-C4' energy: -127.009
flat angles C4'-P-C4' energy: -168.881
flat angles P-C4'-P energy: -98.671
tors. eta vs tors. theta energy: -194.692
Dist. restrs. and SS energy: 1.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -2266.810963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.810963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.419672 (E_RNA)
where:
Base-Base interactions energy: -1546.716
where: short stacking energy: -637.304
Base-Backbone interact. energy: -2.611
local terms energy: -719.093492
where:
bonds (distance) C4'-P energy: -133.438
bonds (distance) P-C4' energy: -142.965
flat angles C4'-P-C4' energy: -151.280
flat angles P-C4'-P energy: -103.367
tors. eta vs tors. theta energy: -188.044
Dist. restrs. and SS energy: 1.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -2082.557192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.557192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.482195 (E_RNA)
where:
Base-Base interactions energy: -1386.763
where: short stacking energy: -602.635
Base-Backbone interact. energy: 0.085
local terms energy: -697.804793
where:
bonds (distance) C4'-P energy: -131.502
bonds (distance) P-C4' energy: -162.079
flat angles C4'-P-C4' energy: -155.847
flat angles P-C4'-P energy: -98.373
tors. eta vs tors. theta energy: -150.004
Dist. restrs. and SS energy: 1.925 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -2018.297693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.297693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.925279 (E_RNA)
where:
Base-Base interactions energy: -1349.945
where: short stacking energy: -578.341
Base-Backbone interact. energy: -1.354
local terms energy: -670.626001
where:
bonds (distance) C4'-P energy: -133.648
bonds (distance) P-C4' energy: -131.835
flat angles C4'-P-C4' energy: -153.022
flat angles P-C4'-P energy: -89.196
tors. eta vs tors. theta energy: -162.925
Dist. restrs. and SS energy: 3.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -1875.005136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.005136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.140169 (E_RNA)
where:
Base-Base interactions energy: -1258.887
where: short stacking energy: -543.503
Base-Backbone interact. energy: -2.332
local terms energy: -624.920629
where:
bonds (distance) C4'-P energy: -138.673
bonds (distance) P-C4' energy: -123.388
flat angles C4'-P-C4' energy: -136.748
flat angles P-C4'-P energy: -97.845
tors. eta vs tors. theta energy: -128.266
Dist. restrs. and SS energy: 11.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -1800.350269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.350269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.100540 (E_RNA)
where:
Base-Base interactions energy: -1252.605
where: short stacking energy: -512.732
Base-Backbone interact. energy: 1.999
local terms energy: -553.494119
where:
bonds (distance) C4'-P energy: -119.970
bonds (distance) P-C4' energy: -121.380
flat angles C4'-P-C4' energy: -133.069
flat angles P-C4'-P energy: -57.145
tors. eta vs tors. theta energy: -121.930
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: 1, replica: 9
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -2941.211473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2941.211473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2943.738303 (E_RNA)
where:
Base-Base interactions energy: -2045.582
where: short stacking energy: -842.783
Base-Backbone interact. energy: -3.696
local terms energy: -894.459740
where:
bonds (distance) C4'-P energy: -161.222
bonds (distance) P-C4' energy: -167.136
flat angles C4'-P-C4' energy: -189.026
flat angles P-C4'-P energy: -131.508
tors. eta vs tors. theta energy: -245.566
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: 4
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -2755.677170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.677170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.132334 (E_RNA)
where:
Base-Base interactions energy: -1898.643
where: short stacking energy: -785.572
Base-Backbone interact. energy: -0.012
local terms energy: -858.477227
where:
bonds (distance) C4'-P energy: -164.768
bonds (distance) P-C4' energy: -145.227
flat angles C4'-P-C4' energy: -192.987
flat angles P-C4'-P energy: -128.105
tors. eta vs tors. theta energy: -227.390
Dist. restrs. and SS energy: 1.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -2596.935927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.935927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.868498 (E_RNA)
where:
Base-Base interactions energy: -1779.622
where: short stacking energy: -745.592
Base-Backbone interact. energy: -1.319
local terms energy: -816.927945
where:
bonds (distance) C4'-P energy: -148.172
bonds (distance) P-C4' energy: -161.487
flat angles C4'-P-C4' energy: -175.974
flat angles P-C4'-P energy: -116.767
tors. eta vs tors. theta energy: -214.528
Dist. restrs. and SS energy: 0.933 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -2398.519083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.519083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.742775 (E_RNA)
where:
Base-Base interactions energy: -1609.612
where: short stacking energy: -705.604
Base-Backbone interact. energy: -2.611
local terms energy: -788.520352
where:
bonds (distance) C4'-P energy: -160.978
bonds (distance) P-C4' energy: -162.848
flat angles C4'-P-C4' energy: -170.259
flat angles P-C4'-P energy: -97.900
tors. eta vs tors. theta energy: -196.535
Dist. restrs. and SS energy: 2.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -2259.944961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.944961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.300397 (E_RNA)
where:
Base-Base interactions energy: -1515.192
where: short stacking energy: -650.122
Base-Backbone interact. energy: -4.406
local terms energy: -743.702273
where:
bonds (distance) C4'-P energy: -145.580
bonds (distance) P-C4' energy: -166.395
flat angles C4'-P-C4' energy: -167.490
flat angles P-C4'-P energy: -92.129
tors. eta vs tors. theta energy: -172.109
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: 6, replica: 5
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -2282.972477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.972477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.721998 (E_RNA)
where:
Base-Base interactions energy: -1529.035
where: short stacking energy: -617.847
Base-Backbone interact. energy: 1.682
local terms energy: -757.369300
where:
bonds (distance) C4'-P energy: -150.087
bonds (distance) P-C4' energy: -156.036
flat angles C4'-P-C4' energy: -161.261
flat angles P-C4'-P energy: -95.447
tors. eta vs tors. theta energy: -194.538
Dist. restrs. and SS energy: 1.750 (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: 3
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -2080.690296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.690296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.456547 (E_RNA)
where:
Base-Base interactions energy: -1385.645
where: short stacking energy: -587.097
Base-Backbone interact. energy: 1.626
local terms energy: -698.438465
where:
bonds (distance) C4'-P energy: -160.972
bonds (distance) P-C4' energy: -149.055
flat angles C4'-P-C4' energy: -134.992
flat angles P-C4'-P energy: -96.512
tors. eta vs tors. theta energy: -156.906
Dist. restrs. and SS energy: 1.766 (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: 151
Temperature: 1.250000
Total energy: -2046.734104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.734104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.810188 (E_RNA)
where:
Base-Base interactions energy: -1373.711
where: short stacking energy: -592.376
Base-Backbone interact. energy: -2.106
local terms energy: -672.992927
where:
bonds (distance) C4'-P energy: -132.058
bonds (distance) P-C4' energy: -131.527
flat angles C4'-P-C4' energy: -162.370
flat angles P-C4'-P energy: -86.036
tors. eta vs tors. theta energy: -161.002
Dist. restrs. and SS energy: 2.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -1885.730507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.730507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.910480 (E_RNA)
where:
Base-Base interactions energy: -1261.219
where: short stacking energy: -548.628
Base-Backbone interact. energy: -0.676
local terms energy: -632.014927
where:
bonds (distance) C4'-P energy: -158.763
bonds (distance) P-C4' energy: -114.924
flat angles C4'-P-C4' energy: -135.186
flat angles P-C4'-P energy: -83.114
tors. eta vs tors. theta energy: -140.029
Dist. restrs. and SS energy: 8.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -1828.776085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.776085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.966635 (E_RNA)
where:
Base-Base interactions energy: -1237.788
where: short stacking energy: -519.278
Base-Backbone interact. energy: 1.618
local terms energy: -596.795700
where:
bonds (distance) C4'-P energy: -127.675
bonds (distance) P-C4' energy: -123.701
flat angles C4'-P-C4' energy: -144.623
flat angles P-C4'-P energy: -73.322
tors. eta vs tors. theta energy: -127.476
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: 1, replica: 9
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -2954.506932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2954.506932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2956.878926 (E_RNA)
where:
Base-Base interactions energy: -2041.525
where: short stacking energy: -829.318
Base-Backbone interact. energy: 2.498
local terms energy: -917.851520
where:
bonds (distance) C4'-P energy: -170.615
bonds (distance) P-C4' energy: -175.924
flat angles C4'-P-C4' energy: -188.289
flat angles P-C4'-P energy: -134.542
tors. eta vs tors. theta energy: -248.482
Dist. restrs. and SS energy: 2.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -2772.357541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2772.357541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2773.698892 (E_RNA)
where:
Base-Base interactions energy: -1913.882
where: short stacking energy: -824.347
Base-Backbone interact. energy: -5.504
local terms energy: -854.312385
where:
bonds (distance) C4'-P energy: -158.441
bonds (distance) P-C4' energy: -163.235
flat angles C4'-P-C4' energy: -173.024
flat angles P-C4'-P energy: -120.661
tors. eta vs tors. theta energy: -238.951
Dist. restrs. and SS energy: 1.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -2588.772983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.772983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.647578 (E_RNA)
where:
Base-Base interactions energy: -1774.322
where: short stacking energy: -749.825
Base-Backbone interact. energy: 3.158
local terms energy: -819.482980
where:
bonds (distance) C4'-P energy: -153.388
bonds (distance) P-C4' energy: -160.419
flat angles C4'-P-C4' energy: -171.103
flat angles P-C4'-P energy: -117.347
tors. eta vs tors. theta energy: -217.226
Dist. restrs. and SS energy: 1.875 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -2437.232777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.232777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.192712 (E_RNA)
where:
Base-Base interactions energy: -1636.582
where: short stacking energy: -722.698
Base-Backbone interact. energy: -1.004
local terms energy: -801.606631
where:
bonds (distance) C4'-P energy: -163.448
bonds (distance) P-C4' energy: -149.357
flat angles C4'-P-C4' energy: -167.106
flat angles P-C4'-P energy: -105.708
tors. eta vs tors. theta energy: -215.988
Dist. restrs. and SS energy: 1.960 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -2247.354962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.354962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.434324 (E_RNA)
where:
Base-Base interactions energy: -1539.581
where: short stacking energy: -683.937
Base-Backbone interact. energy: 1.216
local terms energy: -710.069360
where:
bonds (distance) C4'-P energy: -150.203
bonds (distance) P-C4' energy: -131.096
flat angles C4'-P-C4' energy: -155.536
flat angles P-C4'-P energy: -87.147
tors. eta vs tors. theta energy: -186.087
Dist. restrs. and SS energy: 1.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -2290.432109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.432109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.605166 (E_RNA)
where:
Base-Base interactions energy: -1568.231
where: short stacking energy: -652.545
Base-Backbone interact. energy: 2.340
local terms energy: -726.713782
where:
bonds (distance) C4'-P energy: -144.616
bonds (distance) P-C4' energy: -140.793
flat angles C4'-P-C4' energy: -154.088
flat angles P-C4'-P energy: -98.800
tors. eta vs tors. theta energy: -188.416
Dist. restrs. and SS energy: 2.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -2049.982046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.982046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.024209 (E_RNA)
where:
Base-Base interactions energy: -1417.926
where: short stacking energy: -626.458
Base-Backbone interact. energy: 1.930
local terms energy: -637.028624
where:
bonds (distance) C4'-P energy: -123.086
bonds (distance) P-C4' energy: -116.732
flat angles C4'-P-C4' energy: -139.901
flat angles P-C4'-P energy: -85.879
tors. eta vs tors. theta energy: -171.429
Dist. restrs. and SS energy: 3.042 (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: 1
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -2005.652186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.652186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.696836 (E_RNA)
where:
Base-Base interactions energy: -1381.716
where: short stacking energy: -582.173
Base-Backbone interact. energy: -1.308
local terms energy: -624.672997
where:
bonds (distance) C4'-P energy: -110.173
bonds (distance) P-C4' energy: -130.083
flat angles C4'-P-C4' energy: -136.509
flat angles P-C4'-P energy: -91.275
tors. eta vs tors. theta energy: -156.633
Dist. restrs. and SS energy: 2.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -1949.624402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.624402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.364508 (E_RNA)
where:
Base-Base interactions energy: -1312.069
where: short stacking energy: -574.643
Base-Backbone interact. energy: 1.150
local terms energy: -642.445835
where:
bonds (distance) C4'-P energy: -145.685
bonds (distance) P-C4' energy: -129.993
flat angles C4'-P-C4' energy: -134.454
flat angles P-C4'-P energy: -84.152
tors. eta vs tors. theta energy: -148.163
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: 10, replica: 8
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -1859.436612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.436612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.586789 (E_RNA)
where:
Base-Base interactions energy: -1245.640
where: short stacking energy: -514.547
Base-Backbone interact. energy: 2.388
local terms energy: -619.334318
where:
bonds (distance) C4'-P energy: -130.664
bonds (distance) P-C4' energy: -127.755
flat angles C4'-P-C4' energy: -145.080
flat angles P-C4'-P energy: -81.280
tors. eta vs tors. theta energy: -134.556
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: 1, replica: 9
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -2963.499125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2963.499125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2966.235117 (E_RNA)
where:
Base-Base interactions energy: -2059.401
where: short stacking energy: -851.070
Base-Backbone interact. energy: 3.206
local terms energy: -910.039899
where:
bonds (distance) C4'-P energy: -170.516
bonds (distance) P-C4' energy: -168.579
flat angles C4'-P-C4' energy: -198.479
flat angles P-C4'-P energy: -126.782
tors. eta vs tors. theta energy: -245.684
Dist. restrs. and SS energy: 2.736 (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: 4
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -2764.394154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.394154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.352197 (E_RNA)
where:
Base-Base interactions energy: -1903.206
where: short stacking energy: -794.262
Base-Backbone interact. energy: 2.489
local terms energy: -865.635545
where:
bonds (distance) C4'-P energy: -162.841
bonds (distance) P-C4' energy: -174.970
flat angles C4'-P-C4' energy: -181.017
flat angles P-C4'-P energy: -120.944
tors. eta vs tors. theta energy: -225.864
Dist. restrs. and SS energy: 1.958 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -2608.780991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.780991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.168246 (E_RNA)
where:
Base-Base interactions energy: -1794.839
where: short stacking energy: -727.009
Base-Backbone interact. energy: -3.534
local terms energy: -811.794940
where:
bonds (distance) C4'-P energy: -159.222
bonds (distance) P-C4' energy: -147.612
flat angles C4'-P-C4' energy: -176.690
flat angles P-C4'-P energy: -117.668
tors. eta vs tors. theta energy: -210.603
Dist. restrs. and SS energy: 1.387 (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: 6
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -2371.801559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.801559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.182568 (E_RNA)
where:
Base-Base interactions energy: -1590.571
where: short stacking energy: -692.690
Base-Backbone interact. energy: -1.574
local terms energy: -781.037038
where:
bonds (distance) C4'-P energy: -161.007
bonds (distance) P-C4' energy: -144.651
flat angles C4'-P-C4' energy: -155.435
flat angles P-C4'-P energy: -118.318
tors. eta vs tors. theta energy: -201.626
Dist. restrs. and SS energy: 1.381 (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: 2
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -2296.871817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.871817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.118576 (E_RNA)
where:
Base-Base interactions energy: -1531.256
where: short stacking energy: -681.991
Base-Backbone interact. energy: -4.627
local terms energy: -764.235292
where:
bonds (distance) C4'-P energy: -151.265
bonds (distance) P-C4' energy: -135.055
flat angles C4'-P-C4' energy: -170.089
flat angles P-C4'-P energy: -108.499
tors. eta vs tors. theta energy: -199.327
Dist. restrs. and SS energy: 3.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -2314.790388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.790388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.479588 (E_RNA)
where:
Base-Base interactions energy: -1590.474
where: short stacking energy: -664.396
Base-Backbone interact. energy: -4.037
local terms energy: -722.969175
where:
bonds (distance) C4'-P energy: -119.972
bonds (distance) P-C4' energy: -145.913
flat angles C4'-P-C4' energy: -165.246
flat angles P-C4'-P energy: -96.469
tors. eta vs tors. theta energy: -195.370
Dist. restrs. and SS energy: 2.689 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -2143.350836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.350836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.531636 (E_RNA)
where:
Base-Base interactions energy: -1437.566
where: short stacking energy: -616.988
Base-Backbone interact. energy: -1.317
local terms energy: -707.648238
where:
bonds (distance) C4'-P energy: -127.224
bonds (distance) P-C4' energy: -154.759
flat angles C4'-P-C4' energy: -159.728
flat angles P-C4'-P energy: -98.558
tors. eta vs tors. theta energy: -167.380
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: 8, replica: 10
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -2007.527348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.527348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.494633 (E_RNA)
where:
Base-Base interactions energy: -1343.283
where: short stacking energy: -574.571
Base-Backbone interact. energy: 3.058
local terms energy: -670.269054
where:
bonds (distance) C4'-P energy: -144.985
bonds (distance) P-C4' energy: -139.153
flat angles C4'-P-C4' energy: -138.110
flat angles P-C4'-P energy: -100.800
tors. eta vs tors. theta energy: -147.220
Dist. restrs. and SS energy: 2.967 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -1986.994057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.994057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.482076 (E_RNA)
where:
Base-Base interactions energy: -1352.518
where: short stacking energy: -556.098
Base-Backbone interact. energy: -2.704
local terms energy: -634.260505
where:
bonds (distance) C4'-P energy: -121.915
bonds (distance) P-C4' energy: -118.824
flat angles C4'-P-C4' energy: -145.704
flat angles P-C4'-P energy: -93.544
tors. eta vs tors. theta energy: -154.274
Dist. restrs. and SS energy: 2.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -1893.956477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.956477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.300004 (E_RNA)
where:
Base-Base interactions energy: -1263.006
where: short stacking energy: -519.469
Base-Backbone interact. energy: -1.679
local terms energy: -633.614895
where:
bonds (distance) C4'-P energy: -134.969
bonds (distance) P-C4' energy: -134.632
flat angles C4'-P-C4' energy: -153.168
flat angles P-C4'-P energy: -83.506
tors. eta vs tors. theta energy: -127.340
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: 1, replica: 9
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -2895.278463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2895.278463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2898.686324 (E_RNA)
where:
Base-Base interactions energy: -2035.851
where: short stacking energy: -826.943
Base-Backbone interact. energy: 1.511
local terms energy: -864.345839
where:
bonds (distance) C4'-P energy: -164.471
bonds (distance) P-C4' energy: -153.216
flat angles C4'-P-C4' energy: -184.243
flat angles P-C4'-P energy: -120.243
tors. eta vs tors. theta energy: -242.174
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: 2, replica: 4
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -2767.504844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.504844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.616892 (E_RNA)
where:
Base-Base interactions energy: -1915.224
where: short stacking energy: -815.634
Base-Backbone interact. energy: 5.302
local terms energy: -858.695297
where:
bonds (distance) C4'-P energy: -151.086
bonds (distance) P-C4' energy: -155.688
flat angles C4'-P-C4' energy: -184.335
flat angles P-C4'-P energy: -139.334
tors. eta vs tors. theta energy: -228.252
Dist. restrs. and SS energy: 1.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -2590.645406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.645406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.862099 (E_RNA)
where:
Base-Base interactions energy: -1790.934
where: short stacking energy: -760.758
Base-Backbone interact. energy: 1.674
local terms energy: -803.602362
where:
bonds (distance) C4'-P energy: -151.046
bonds (distance) P-C4' energy: -156.567
flat angles C4'-P-C4' energy: -171.699
flat angles P-C4'-P energy: -123.153
tors. eta vs tors. theta energy: -201.137
Dist. restrs. and SS energy: 2.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -2441.675377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.675377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.462867 (E_RNA)
where:
Base-Base interactions energy: -1665.402
where: short stacking energy: -715.263
Base-Backbone interact. energy: -2.285
local terms energy: -775.775681
where:
bonds (distance) C4'-P energy: -138.104
bonds (distance) P-C4' energy: -155.611
flat angles C4'-P-C4' energy: -167.959
flat angles P-C4'-P energy: -100.771
tors. eta vs tors. theta energy: -213.331
Dist. restrs. and SS energy: 1.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -2308.691875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.691875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.856515 (E_RNA)
where:
Base-Base interactions energy: -1581.711
where: short stacking energy: -688.563
Base-Backbone interact. energy: -1.598
local terms energy: -728.547727
where:
bonds (distance) C4'-P energy: -132.924
bonds (distance) P-C4' energy: -145.141
flat angles C4'-P-C4' energy: -162.652
flat angles P-C4'-P energy: -99.715
tors. eta vs tors. theta energy: -188.116
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: 6, replica: 5
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -2266.118457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.118457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.456308 (E_RNA)
where:
Base-Base interactions energy: -1548.690
where: short stacking energy: -645.966
Base-Backbone interact. energy: -2.015
local terms energy: -716.751174
where:
bonds (distance) C4'-P energy: -137.094
bonds (distance) P-C4' energy: -120.306
flat angles C4'-P-C4' energy: -175.954
flat angles P-C4'-P energy: -98.403
tors. eta vs tors. theta energy: -184.993
Dist. restrs. and SS energy: 1.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -2088.470519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.470519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.866236 (E_RNA)
where:
Base-Base interactions energy: -1421.357
where: short stacking energy: -626.859
Base-Backbone interact. energy: 6.486
local terms energy: -676.995524
where:
bonds (distance) C4'-P energy: -145.060
bonds (distance) P-C4' energy: -135.502
flat angles C4'-P-C4' energy: -151.248
flat angles P-C4'-P energy: -84.556
tors. eta vs tors. theta energy: -160.630
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: 8, replica: 3
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -2025.298560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.298560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.003794 (E_RNA)
where:
Base-Base interactions energy: -1343.538
where: short stacking energy: -567.325
Base-Backbone interact. energy: 0.355
local terms energy: -684.821349
where:
bonds (distance) C4'-P energy: -131.763
bonds (distance) P-C4' energy: -141.415
flat angles C4'-P-C4' energy: -154.336
flat angles P-C4'-P energy: -92.744
tors. eta vs tors. theta energy: -164.563
Dist. restrs. and SS energy: 2.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -1937.116294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.116294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.456834 (E_RNA)
where:
Base-Base interactions energy: -1318.217
where: short stacking energy: -552.732
Base-Backbone interact. energy: -2.246
local terms energy: -619.993598
where:
bonds (distance) C4'-P energy: -99.297
bonds (distance) P-C4' energy: -126.784
flat angles C4'-P-C4' energy: -154.337
flat angles P-C4'-P energy: -103.787
tors. eta vs tors. theta energy: -135.789
Dist. restrs. and SS energy: 3.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -1844.329352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.329352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.498271 (E_RNA)
where:
Base-Base interactions energy: -1293.518
where: short stacking energy: -534.632
Base-Backbone interact. energy: 1.057
local terms energy: -560.036649
where:
bonds (distance) C4'-P energy: -114.114
bonds (distance) P-C4' energy: -114.814
flat angles C4'-P-C4' energy: -135.160
flat angles P-C4'-P energy: -67.575
tors. eta vs tors. theta energy: -128.374
Dist. restrs. and SS energy: 8.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -2902.845443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2902.845443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2904.459599 (E_RNA)
where:
Base-Base interactions energy: -2026.317
where: short stacking energy: -826.273
Base-Backbone interact. energy: -3.647
local terms energy: -874.495986
where:
bonds (distance) C4'-P energy: -159.356
bonds (distance) P-C4' energy: -157.623
flat angles C4'-P-C4' energy: -191.917
flat angles P-C4'-P energy: -133.033
tors. eta vs tors. theta energy: -232.566
Dist. restrs. and SS energy: 1.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -2753.968800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.968800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.400737 (E_RNA)
where:
Base-Base interactions energy: -1910.708
where: short stacking energy: -796.898
Base-Backbone interact. energy: -1.123
local terms energy: -844.569173
where:
bonds (distance) C4'-P energy: -154.876
bonds (distance) P-C4' energy: -159.787
flat angles C4'-P-C4' energy: -183.022
flat angles P-C4'-P energy: -125.035
tors. eta vs tors. theta energy: -221.849
Dist. restrs. and SS energy: 2.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -2604.179052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.179052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.860623 (E_RNA)
where:
Base-Base interactions energy: -1771.754
where: short stacking energy: -744.289
Base-Backbone interact. energy: -2.632
local terms energy: -832.474731
where:
bonds (distance) C4'-P energy: -168.580
bonds (distance) P-C4' energy: -156.299
flat angles C4'-P-C4' energy: -168.556
flat angles P-C4'-P energy: -130.192
tors. eta vs tors. theta energy: -208.849
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: 6
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -2455.257247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.257247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.021305 (E_RNA)
where:
Base-Base interactions energy: -1653.632
where: short stacking energy: -724.862
Base-Backbone interact. energy: -1.572
local terms energy: -802.817625
where:
bonds (distance) C4'-P energy: -138.311
bonds (distance) P-C4' energy: -163.255
flat angles C4'-P-C4' energy: -168.356
flat angles P-C4'-P energy: -106.854
tors. eta vs tors. theta energy: -226.042
Dist. restrs. and SS energy: 2.764 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -2318.153397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.153397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.103122 (E_RNA)
where:
Base-Base interactions energy: -1576.115
where: short stacking energy: -677.113
Base-Backbone interact. energy: -0.592
local terms energy: -745.396055
where:
bonds (distance) C4'-P energy: -134.170
bonds (distance) P-C4' energy: -141.485
flat angles C4'-P-C4' energy: -170.179
flat angles P-C4'-P energy: -112.337
tors. eta vs tors. theta energy: -187.225
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: 6, replica: 5
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -2278.858762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.858762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.859280 (E_RNA)
where:
Base-Base interactions energy: -1565.467
where: short stacking energy: -640.301
Base-Backbone interact. energy: 0.105
local terms energy: -715.497132
where:
bonds (distance) C4'-P energy: -131.397
bonds (distance) P-C4' energy: -146.439
flat angles C4'-P-C4' energy: -151.370
flat angles P-C4'-P energy: -115.631
tors. eta vs tors. theta energy: -170.660
Dist. restrs. and SS energy: 2.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -2104.143187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.143187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.539411 (E_RNA)
where:
Base-Base interactions energy: -1430.638
where: short stacking energy: -637.670
Base-Backbone interact. energy: 11.728
local terms energy: -688.629321
where:
bonds (distance) C4'-P energy: -144.750
bonds (distance) P-C4' energy: -149.236
flat angles C4'-P-C4' energy: -146.496
flat angles P-C4'-P energy: -93.437
tors. eta vs tors. theta energy: -154.712
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: 8, replica: 1
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -2000.463083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.463083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.201889 (E_RNA)
where:
Base-Base interactions energy: -1389.360
where: short stacking energy: -563.853
Base-Backbone interact. energy: 5.764
local terms energy: -619.605910
where:
bonds (distance) C4'-P energy: -128.005
bonds (distance) P-C4' energy: -121.155
flat angles C4'-P-C4' energy: -149.035
flat angles P-C4'-P energy: -87.540
tors. eta vs tors. theta energy: -133.871
Dist. restrs. and SS energy: 2.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -1927.476454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.476454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.750325 (E_RNA)
where:
Base-Base interactions energy: -1298.120
where: short stacking energy: -551.904
Base-Backbone interact. energy: 1.031
local terms energy: -634.661494
where:
bonds (distance) C4'-P energy: -124.077
bonds (distance) P-C4' energy: -129.588
flat angles C4'-P-C4' energy: -139.822
flat angles P-C4'-P energy: -93.424
tors. eta vs tors. theta energy: -147.750
Dist. restrs. and SS energy: 4.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -1845.577532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.577532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.423076 (E_RNA)
where:
Base-Base interactions energy: -1269.454
where: short stacking energy: -512.110
Base-Backbone interact. energy: -2.513
local terms energy: -576.456083
where:
bonds (distance) C4'-P energy: -116.398
bonds (distance) P-C4' energy: -121.385
flat angles C4'-P-C4' energy: -141.652
flat angles P-C4'-P energy: -86.775
tors. eta vs tors. theta energy: -110.247
Dist. restrs. and SS energy: 2.846 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -2914.010465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2914.010465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2916.232412 (E_RNA)
where:
Base-Base interactions energy: -2015.504
where: short stacking energy: -854.766
Base-Backbone interact. energy: -2.514
local terms energy: -898.214521
where:
bonds (distance) C4'-P energy: -165.923
bonds (distance) P-C4' energy: -163.798
flat angles C4'-P-C4' energy: -194.450
flat angles P-C4'-P energy: -131.942
tors. eta vs tors. theta energy: -242.102
Dist. restrs. and SS energy: 2.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -2785.722938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.722938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.462240 (E_RNA)
where:
Base-Base interactions energy: -1923.307
where: short stacking energy: -837.839
Base-Backbone interact. energy: -1.691
local terms energy: -862.464525
where:
bonds (distance) C4'-P energy: -157.589
bonds (distance) P-C4' energy: -159.808
flat angles C4'-P-C4' energy: -188.197
flat angles P-C4'-P energy: -110.579
tors. eta vs tors. theta energy: -246.292
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: 3, replica: 7
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -2630.097868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.097868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.786858 (E_RNA)
where:
Base-Base interactions energy: -1830.516
where: short stacking energy: -769.174
Base-Backbone interact. energy: 0.906
local terms energy: -802.176511
where:
bonds (distance) C4'-P energy: -150.177
bonds (distance) P-C4' energy: -149.757
flat angles C4'-P-C4' energy: -165.942
flat angles P-C4'-P energy: -112.910
tors. eta vs tors. theta energy: -223.390
Dist. restrs. and SS energy: 1.689 (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: 6
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -2399.959564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.959564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.730184 (E_RNA)
where:
Base-Base interactions energy: -1647.791
where: short stacking energy: -717.855
Base-Backbone interact. energy: -2.595
local terms energy: -752.343499
where:
bonds (distance) C4'-P energy: -113.961
bonds (distance) P-C4' energy: -155.047
flat angles C4'-P-C4' energy: -169.557
flat angles P-C4'-P energy: -102.925
tors. eta vs tors. theta energy: -210.853
Dist. restrs. and SS energy: 2.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -2334.435167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.435167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.603740 (E_RNA)
where:
Base-Base interactions energy: -1601.285
where: short stacking energy: -663.424
Base-Backbone interact. energy: -2.445
local terms energy: -732.873431
where:
bonds (distance) C4'-P energy: -134.153
bonds (distance) P-C4' energy: -146.832
flat angles C4'-P-C4' energy: -166.685
flat angles P-C4'-P energy: -112.003
tors. eta vs tors. theta energy: -173.201
Dist. restrs. and SS energy: 2.169 (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: 2
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -2211.982269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.982269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.828207 (E_RNA)
where:
Base-Base interactions energy: -1510.404
where: short stacking energy: -664.896
Base-Backbone interact. energy: 0.507
local terms energy: -703.930883
where:
bonds (distance) C4'-P energy: -120.372
bonds (distance) P-C4' energy: -142.426
flat angles C4'-P-C4' energy: -161.168
flat angles P-C4'-P energy: -105.509
tors. eta vs tors. theta energy: -174.456
Dist. restrs. and SS energy: 1.846 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -2108.645960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.645960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.560839 (E_RNA)
where:
Base-Base interactions energy: -1464.620
where: short stacking energy: -585.925
Base-Backbone interact. energy: 3.449
local terms energy: -648.389947
where:
bonds (distance) C4'-P energy: -120.681
bonds (distance) P-C4' energy: -125.322
flat angles C4'-P-C4' energy: -161.481
flat angles P-C4'-P energy: -105.757
tors. eta vs tors. theta energy: -135.148
Dist. restrs. and SS energy: 0.915 (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: 10
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -2016.447230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.447230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.170958 (E_RNA)
where:
Base-Base interactions energy: -1381.125
where: short stacking energy: -588.361
Base-Backbone interact. energy: 1.740
local terms energy: -639.785927
where:
bonds (distance) C4'-P energy: -132.532
bonds (distance) P-C4' energy: -145.097
flat angles C4'-P-C4' energy: -139.699
flat angles P-C4'-P energy: -72.915
tors. eta vs tors. theta energy: -149.543
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: 9, replica: 8
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -1874.359722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.359722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.875652 (E_RNA)
where:
Base-Base interactions energy: -1284.105
where: short stacking energy: -512.029
Base-Backbone interact. energy: -1.932
local terms energy: -592.839029
where:
bonds (distance) C4'-P energy: -116.483
bonds (distance) P-C4' energy: -137.119
flat angles C4'-P-C4' energy: -139.520
flat angles P-C4'-P energy: -70.633
tors. eta vs tors. theta energy: -129.085
Dist. restrs. and SS energy: 4.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -1867.873327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.873327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.731255 (E_RNA)
where:
Base-Base interactions energy: -1256.899
where: short stacking energy: -520.967
Base-Backbone interact. energy: 7.503
local terms energy: -621.334659
where:
bonds (distance) C4'-P energy: -124.024
bonds (distance) P-C4' energy: -136.937
flat angles C4'-P-C4' energy: -149.018
flat angles P-C4'-P energy: -80.442
tors. eta vs tors. theta energy: -130.914
Dist. restrs. and SS energy: 2.858 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -2923.519088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2923.519088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2924.877214 (E_RNA)
where:
Base-Base interactions energy: -2049.670
where: short stacking energy: -847.474
Base-Backbone interact. energy: -2.972
local terms energy: -872.234801
where:
bonds (distance) C4'-P energy: -151.539
bonds (distance) P-C4' energy: -170.197
flat angles C4'-P-C4' energy: -194.038
flat angles P-C4'-P energy: -118.380
tors. eta vs tors. theta energy: -238.081
Dist. restrs. and SS energy: 1.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -2767.149231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.149231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2769.359349 (E_RNA)
where:
Base-Base interactions energy: -1912.679
where: short stacking energy: -827.975
Base-Backbone interact. energy: 1.943
local terms energy: -858.623503
where:
bonds (distance) C4'-P energy: -163.558
bonds (distance) P-C4' energy: -145.367
flat angles C4'-P-C4' energy: -191.647
flat angles P-C4'-P energy: -115.260
tors. eta vs tors. theta energy: -242.791
Dist. restrs. and SS energy: 2.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -2614.486148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.486148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.695656 (E_RNA)
where:
Base-Base interactions energy: -1805.698
where: short stacking energy: -751.690
Base-Backbone interact. energy: 3.897
local terms energy: -814.894966
where:
bonds (distance) C4'-P energy: -161.111
bonds (distance) P-C4' energy: -159.944
flat angles C4'-P-C4' energy: -160.550
flat angles P-C4'-P energy: -114.270
tors. eta vs tors. theta energy: -219.019
Dist. restrs. and SS energy: 2.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -2400.315166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.315166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.238457 (E_RNA)
where:
Base-Base interactions energy: -1621.333
where: short stacking energy: -724.351
Base-Backbone interact. energy: -0.261
local terms energy: -779.644527
where:
bonds (distance) C4'-P energy: -148.476
bonds (distance) P-C4' energy: -130.948
flat angles C4'-P-C4' energy: -172.815
flat angles P-C4'-P energy: -121.139
tors. eta vs tors. theta energy: -206.267
Dist. restrs. and SS energy: 0.923 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -2375.512590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.512590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.988206 (E_RNA)
where:
Base-Base interactions energy: -1584.619
where: short stacking energy: -695.748
Base-Backbone interact. energy: -3.524
local terms energy: -788.845346
where:
bonds (distance) C4'-P energy: -155.903
bonds (distance) P-C4' energy: -152.797
flat angles C4'-P-C4' energy: -171.997
flat angles P-C4'-P energy: -96.352
tors. eta vs tors. theta energy: -211.797
Dist. restrs. and SS energy: 1.476 (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: 2
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -2226.424584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.424584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.253356 (E_RNA)
where:
Base-Base interactions energy: -1493.508
where: short stacking energy: -639.782
Base-Backbone interact. energy: -3.707
local terms energy: -732.038875
where:
bonds (distance) C4'-P energy: -135.020
bonds (distance) P-C4' energy: -146.769
flat angles C4'-P-C4' energy: -167.203
flat angles P-C4'-P energy: -94.253
tors. eta vs tors. theta energy: -188.793
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: 7, replica: 1
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -2104.740844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.740844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.012778 (E_RNA)
where:
Base-Base interactions energy: -1413.749
where: short stacking energy: -592.971
Base-Backbone interact. energy: -3.728
local terms energy: -689.535586
where:
bonds (distance) C4'-P energy: -152.893
bonds (distance) P-C4' energy: -147.300
flat angles C4'-P-C4' energy: -150.383
flat angles P-C4'-P energy: -86.844
tors. eta vs tors. theta energy: -152.116
Dist. restrs. and SS energy: 2.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -2080.311033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.311033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.454422 (E_RNA)
where:
Base-Base interactions energy: -1406.215
where: short stacking energy: -597.286
Base-Backbone interact. energy: -1.443
local terms energy: -674.796231
where:
bonds (distance) C4'-P energy: -127.688
bonds (distance) P-C4' energy: -136.299
flat angles C4'-P-C4' energy: -151.475
flat angles P-C4'-P energy: -101.763
tors. eta vs tors. theta energy: -157.571
Dist. restrs. and SS energy: 2.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -1884.197351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.197351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.473890 (E_RNA)
where:
Base-Base interactions energy: -1256.991
where: short stacking energy: -519.381
Base-Backbone interact. energy: 2.300
local terms energy: -631.782603
where:
bonds (distance) C4'-P energy: -136.294
bonds (distance) P-C4' energy: -123.321
flat angles C4'-P-C4' energy: -148.670
flat angles P-C4'-P energy: -96.624
tors. eta vs tors. theta energy: -126.874
Dist. restrs. and SS energy: 2.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -1842.468433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.468433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.944176 (E_RNA)
where:
Base-Base interactions energy: -1265.060
where: short stacking energy: -548.189
Base-Backbone interact. energy: 3.268
local terms energy: -585.152681
where:
bonds (distance) C4'-P energy: -114.867
bonds (distance) P-C4' energy: -117.905
flat angles C4'-P-C4' energy: -138.813
flat angles P-C4'-P energy: -74.959
tors. eta vs tors. theta energy: -138.609
Dist. restrs. and SS energy: 4.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -2936.124656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2936.124656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2937.434430 (E_RNA)
where:
Base-Base interactions energy: -2053.916
where: short stacking energy: -842.905
Base-Backbone interact. energy: -5.238
local terms energy: -878.279781
where:
bonds (distance) C4'-P energy: -153.287
bonds (distance) P-C4' energy: -175.495
flat angles C4'-P-C4' energy: -183.364
flat angles P-C4'-P energy: -117.881
tors. eta vs tors. theta energy: -248.252
Dist. restrs. and SS energy: 1.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -2754.698740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.698740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.682310 (E_RNA)
where:
Base-Base interactions energy: -1900.213
where: short stacking energy: -812.437
Base-Backbone interact. energy: -1.185
local terms energy: -855.283982
where:
bonds (distance) C4'-P energy: -152.077
bonds (distance) P-C4' energy: -156.939
flat angles C4'-P-C4' energy: -179.017
flat angles P-C4'-P energy: -123.654
tors. eta vs tors. theta energy: -243.597
Dist. restrs. and SS energy: 1.984 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -2598.535054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.535054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.761783 (E_RNA)
where:
Base-Base interactions energy: -1788.658
where: short stacking energy: -768.055
Base-Backbone interact. energy: -2.958
local terms energy: -809.145802
where:
bonds (distance) C4'-P energy: -144.756
bonds (distance) P-C4' energy: -156.918
flat angles C4'-P-C4' energy: -166.911
flat angles P-C4'-P energy: -125.241
tors. eta vs tors. theta energy: -215.320
Dist. restrs. and SS energy: 2.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -2381.585753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.585753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.681802 (E_RNA)
where:
Base-Base interactions energy: -1608.021
where: short stacking energy: -717.025
Base-Backbone interact. energy: 4.765
local terms energy: -780.425599
where:
bonds (distance) C4'-P energy: -143.688
bonds (distance) P-C4' energy: -158.433
flat angles C4'-P-C4' energy: -173.359
flat angles P-C4'-P energy: -106.538
tors. eta vs tors. theta energy: -198.407
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: 5, replica: 5
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -2381.607556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.607556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.083733 (E_RNA)
where:
Base-Base interactions energy: -1640.888
where: short stacking energy: -694.008
Base-Backbone interact. energy: -1.480
local terms energy: -741.715676
where:
bonds (distance) C4'-P energy: -118.644
bonds (distance) P-C4' energy: -146.538
flat angles C4'-P-C4' energy: -167.218
flat angles P-C4'-P energy: -113.200
tors. eta vs tors. theta energy: -196.117
Dist. restrs. and SS energy: 2.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -2272.651790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.651790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.157251 (E_RNA)
where:
Base-Base interactions energy: -1544.215
where: short stacking energy: -665.363
Base-Backbone interact. energy: -2.187
local terms energy: -728.755418
where:
bonds (distance) C4'-P energy: -143.577
bonds (distance) P-C4' energy: -138.919
flat angles C4'-P-C4' energy: -163.091
flat angles P-C4'-P energy: -93.313
tors. eta vs tors. theta energy: -189.856
Dist. restrs. and SS energy: 2.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -2134.832885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.832885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.538172 (E_RNA)
where:
Base-Base interactions energy: -1462.453
where: short stacking energy: -644.136
Base-Backbone interact. energy: 0.751
local terms energy: -674.835965
where:
bonds (distance) C4'-P energy: -132.467
bonds (distance) P-C4' energy: -131.991
flat angles C4'-P-C4' energy: -152.122
flat angles P-C4'-P energy: -85.867
tors. eta vs tors. theta energy: -172.390
Dist. restrs. and SS energy: 1.705 (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: 10
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -1996.777482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.777482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.562545 (E_RNA)
where:
Base-Base interactions energy: -1325.894
where: short stacking energy: -577.097
Base-Backbone interact. energy: 4.730
local terms energy: -680.398225
where:
bonds (distance) C4'-P energy: -129.328
bonds (distance) P-C4' energy: -140.856
flat angles C4'-P-C4' energy: -145.109
flat angles P-C4'-P energy: -109.079
tors. eta vs tors. theta energy: -156.026
Dist. restrs. and SS energy: 4.785 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -1977.504424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.504424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.767428 (E_RNA)
where:
Base-Base interactions energy: -1368.600
where: short stacking energy: -580.198
Base-Backbone interact. energy: -1.237
local terms energy: -610.929759
where:
bonds (distance) C4'-P energy: -120.879
bonds (distance) P-C4' energy: -124.724
flat angles C4'-P-C4' energy: -121.651
flat angles P-C4'-P energy: -106.826
tors. eta vs tors. theta energy: -136.850
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: 10, replica: 3
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -1838.044205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.044205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.013838 (E_RNA)
where:
Base-Base interactions energy: -1211.796
where: short stacking energy: -513.598
Base-Backbone interact. energy: -0.333
local terms energy: -627.884705
where:
bonds (distance) C4'-P energy: -101.051
bonds (distance) P-C4' energy: -144.240
flat angles C4'-P-C4' energy: -153.538
flat angles P-C4'-P energy: -85.338
tors. eta vs tors. theta energy: -143.718
Dist. restrs. and SS energy: 1.970 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -2908.447611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2908.447611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2909.893540 (E_RNA)
where:
Base-Base interactions energy: -2053.728
where: short stacking energy: -832.048
Base-Backbone interact. energy: -3.005
local terms energy: -853.161119
where:
bonds (distance) C4'-P energy: -156.435
bonds (distance) P-C4' energy: -161.330
flat angles C4'-P-C4' energy: -177.456
flat angles P-C4'-P energy: -118.128
tors. eta vs tors. theta energy: -239.814
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: 4
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -2751.739126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.739126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2755.064330 (E_RNA)
where:
Base-Base interactions energy: -1909.105
where: short stacking energy: -805.870
Base-Backbone interact. energy: -0.404
local terms energy: -845.555784
where:
bonds (distance) C4'-P energy: -144.763
bonds (distance) P-C4' energy: -158.186
flat angles C4'-P-C4' energy: -185.375
flat angles P-C4'-P energy: -128.349
tors. eta vs tors. theta energy: -228.883
Dist. restrs. and SS energy: 3.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -2665.964247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.964247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.592133 (E_RNA)
where:
Base-Base interactions energy: -1861.062
where: short stacking energy: -797.011
Base-Backbone interact. energy: -3.215
local terms energy: -802.315494
where:
bonds (distance) C4'-P energy: -134.070
bonds (distance) P-C4' energy: -150.259
flat angles C4'-P-C4' energy: -170.666
flat angles P-C4'-P energy: -113.256
tors. eta vs tors. theta energy: -234.065
Dist. restrs. and SS energy: 0.628 (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: 6
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -2406.567462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.567462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.072454 (E_RNA)
where:
Base-Base interactions energy: -1659.727
where: short stacking energy: -696.097
Base-Backbone interact. energy: 7.135
local terms energy: -755.480208
where:
bonds (distance) C4'-P energy: -133.243
bonds (distance) P-C4' energy: -161.505
flat angles C4'-P-C4' energy: -151.053
flat angles P-C4'-P energy: -114.202
tors. eta vs tors. theta energy: -195.478
Dist. restrs. and SS energy: 1.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -2404.745280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.745280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.931619 (E_RNA)
where:
Base-Base interactions energy: -1658.270
where: short stacking energy: -702.367
Base-Backbone interact. energy: 2.362
local terms energy: -751.022895
where:
bonds (distance) C4'-P energy: -154.142
bonds (distance) P-C4' energy: -134.889
flat angles C4'-P-C4' energy: -169.913
flat angles P-C4'-P energy: -93.581
tors. eta vs tors. theta energy: -198.498
Dist. restrs. and SS energy: 2.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -2183.458348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.458348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.181242 (E_RNA)
where:
Base-Base interactions energy: -1475.308
where: short stacking energy: -630.942
Base-Backbone interact. energy: -0.677
local terms energy: -709.196811
where:
bonds (distance) C4'-P energy: -147.363
bonds (distance) P-C4' energy: -131.553
flat angles C4'-P-C4' energy: -168.059
flat angles P-C4'-P energy: -99.360
tors. eta vs tors. theta energy: -162.862
Dist. restrs. and SS energy: 1.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -2111.734653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.734653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.868720 (E_RNA)
where:
Base-Base interactions energy: -1434.556
where: short stacking energy: -610.810
Base-Backbone interact. energy: -3.039
local terms energy: -676.273051
where:
bonds (distance) C4'-P energy: -127.244
bonds (distance) P-C4' energy: -131.561
flat angles C4'-P-C4' energy: -142.483
flat angles P-C4'-P energy: -115.371
tors. eta vs tors. theta energy: -159.615
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: 8, replica: 10
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -1983.687963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.687963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.339357 (E_RNA)
where:
Base-Base interactions energy: -1336.129
where: short stacking energy: -575.263
Base-Backbone interact. energy: 3.064
local terms energy: -653.274000
where:
bonds (distance) C4'-P energy: -131.746
bonds (distance) P-C4' energy: -133.694
flat angles C4'-P-C4' energy: -140.032
flat angles P-C4'-P energy: -97.502
tors. eta vs tors. theta energy: -150.300
Dist. restrs. and SS energy: 2.651 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -1915.679279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.679279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.405208 (E_RNA)
where:
Base-Base interactions energy: -1296.869
where: short stacking energy: -542.235
Base-Backbone interact. energy: -0.616
local terms energy: -622.920370
where:
bonds (distance) C4'-P energy: -120.973
bonds (distance) P-C4' energy: -144.265
flat angles C4'-P-C4' energy: -155.924
flat angles P-C4'-P energy: -76.970
tors. eta vs tors. theta energy: -124.789
Dist. restrs. and SS energy: 4.726 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -1867.666011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.666011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.446309 (E_RNA)
where:
Base-Base interactions energy: -1280.171
where: short stacking energy: -525.440
Base-Backbone interact. energy: 8.810
local terms energy: -600.085015
where:
bonds (distance) C4'-P energy: -105.714
bonds (distance) P-C4' energy: -159.758
flat angles C4'-P-C4' energy: -116.428
flat angles P-C4'-P energy: -94.382
tors. eta vs tors. theta energy: -123.802
Dist. restrs. and SS energy: 3.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -2940.381758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2940.381758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2942.376857 (E_RNA)
where:
Base-Base interactions energy: -2068.946
where: short stacking energy: -839.709
Base-Backbone interact. energy: -3.903
local terms energy: -869.527367
where:
bonds (distance) C4'-P energy: -166.310
bonds (distance) P-C4' energy: -155.410
flat angles C4'-P-C4' energy: -184.595
flat angles P-C4'-P energy: -121.590
tors. eta vs tors. theta energy: -241.621
Dist. restrs. and SS energy: 1.995 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -2749.633735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2749.633735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2752.331688 (E_RNA)
where:
Base-Base interactions energy: -1895.996
where: short stacking energy: -791.900
Base-Backbone interact. energy: -4.659
local terms energy: -851.676486
where:
bonds (distance) C4'-P energy: -154.196
bonds (distance) P-C4' energy: -151.343
flat angles C4'-P-C4' energy: -198.382
flat angles P-C4'-P energy: -125.792
tors. eta vs tors. theta energy: -221.964
Dist. restrs. and SS energy: 2.698 (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: 6
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -2557.627863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.627863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.030519 (E_RNA)
where:
Base-Base interactions energy: -1744.544
where: short stacking energy: -742.539
Base-Backbone interact. energy: -1.461
local terms energy: -813.024739
where:
bonds (distance) C4'-P energy: -144.939
bonds (distance) P-C4' energy: -161.123
flat angles C4'-P-C4' energy: -165.330
flat angles P-C4'-P energy: -122.187
tors. eta vs tors. theta energy: -219.446
Dist. restrs. and SS energy: 1.403 (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: 7
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -2542.626442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.626442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.553826 (E_RNA)
where:
Base-Base interactions energy: -1747.974
where: short stacking energy: -741.837
Base-Backbone interact. energy: 10.134
local terms energy: -806.714160
where:
bonds (distance) C4'-P energy: -145.139
bonds (distance) P-C4' energy: -138.447
flat angles C4'-P-C4' energy: -175.623
flat angles P-C4'-P energy: -126.518
tors. eta vs tors. theta energy: -220.988
Dist. restrs. and SS energy: 1.927 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -2368.700237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.700237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.968041 (E_RNA)
where:
Base-Base interactions energy: -1628.941
where: short stacking energy: -701.563
Base-Backbone interact. energy: 1.174
local terms energy: -743.200785
where:
bonds (distance) C4'-P energy: -133.379
bonds (distance) P-C4' energy: -142.018
flat angles C4'-P-C4' energy: -176.309
flat angles P-C4'-P energy: -102.666
tors. eta vs tors. theta energy: -188.828
Dist. restrs. and SS energy: 2.268 (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: 2
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -2164.622265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.622265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.328185 (E_RNA)
where:
Base-Base interactions energy: -1477.757
where: short stacking energy: -626.961
Base-Backbone interact. energy: -2.076
local terms energy: -687.495330
where:
bonds (distance) C4'-P energy: -125.833
bonds (distance) P-C4' energy: -147.742
flat angles C4'-P-C4' energy: -145.952
flat angles P-C4'-P energy: -97.278
tors. eta vs tors. theta energy: -170.691
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: 7, replica: 1
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -2090.740701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.740701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.214979 (E_RNA)
where:
Base-Base interactions energy: -1403.830
where: short stacking energy: -609.257
Base-Backbone interact. energy: 3.142
local terms energy: -691.526715
where:
bonds (distance) C4'-P energy: -129.239
bonds (distance) P-C4' energy: -141.364
flat angles C4'-P-C4' energy: -147.426
flat angles P-C4'-P energy: -102.874
tors. eta vs tors. theta energy: -170.624
Dist. restrs. and SS energy: 1.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -2008.085155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.085155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.125136 (E_RNA)
where:
Base-Base interactions energy: -1391.193
where: short stacking energy: -594.690
Base-Backbone interact. energy: -0.798
local terms energy: -618.133809
where:
bonds (distance) C4'-P energy: -109.957
bonds (distance) P-C4' energy: -138.760
flat angles C4'-P-C4' energy: -143.469
flat angles P-C4'-P energy: -83.511
tors. eta vs tors. theta energy: -142.436
Dist. restrs. and SS energy: 2.040 (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: 3
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -1973.669892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.669892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.839070 (E_RNA)
where:
Base-Base interactions energy: -1337.082
where: short stacking energy: -566.636
Base-Backbone interact. energy: 1.486
local terms energy: -640.243626
where:
bonds (distance) C4'-P energy: -135.181
bonds (distance) P-C4' energy: -131.743
flat angles C4'-P-C4' energy: -155.305
flat angles P-C4'-P energy: -73.754
tors. eta vs tors. theta energy: -144.261
Dist. restrs. and SS energy: 2.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -1882.763929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.763929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.466814 (E_RNA)
where:
Base-Base interactions energy: -1274.457
where: short stacking energy: -525.045
Base-Backbone interact. energy: -5.445
local terms energy: -608.564338
where:
bonds (distance) C4'-P energy: -139.940
bonds (distance) P-C4' energy: -140.309
flat angles C4'-P-C4' energy: -125.152
flat angles P-C4'-P energy: -77.688
tors. eta vs tors. theta energy: -125.475
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: 1, replica: 9
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -2928.453014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2928.453014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2930.104900 (E_RNA)
where:
Base-Base interactions energy: -2049.450
where: short stacking energy: -840.205
Base-Backbone interact. energy: -3.996
local terms energy: -876.659548
where:
bonds (distance) C4'-P energy: -161.909
bonds (distance) P-C4' energy: -158.891
flat angles C4'-P-C4' energy: -178.707
flat angles P-C4'-P energy: -136.620
tors. eta vs tors. theta energy: -240.533
Dist. restrs. and SS energy: 1.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -2738.406321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.406321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2741.932700 (E_RNA)
where:
Base-Base interactions energy: -1871.435
where: short stacking energy: -786.564
Base-Backbone interact. energy: -1.418
local terms energy: -869.080316
where:
bonds (distance) C4'-P energy: -179.059
bonds (distance) P-C4' energy: -153.907
flat angles C4'-P-C4' energy: -186.436
flat angles P-C4'-P energy: -121.134
tors. eta vs tors. theta energy: -228.544
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: 3, replica: 6
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -2560.471396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.471396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.279327 (E_RNA)
where:
Base-Base interactions energy: -1740.572
where: short stacking energy: -744.727
Base-Backbone interact. energy: -1.373
local terms energy: -820.334367
where:
bonds (distance) C4'-P energy: -160.342
bonds (distance) P-C4' energy: -153.180
flat angles C4'-P-C4' energy: -174.767
flat angles P-C4'-P energy: -125.843
tors. eta vs tors. theta energy: -206.202
Dist. restrs. and SS energy: 1.808 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -2482.691781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.691781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.077230 (E_RNA)
where:
Base-Base interactions energy: -1724.086
where: short stacking energy: -743.707
Base-Backbone interact. energy: 1.241
local terms energy: -761.232824
where:
bonds (distance) C4'-P energy: -135.529
bonds (distance) P-C4' energy: -123.263
flat angles C4'-P-C4' energy: -177.014
flat angles P-C4'-P energy: -111.503
tors. eta vs tors. theta energy: -213.924
Dist. restrs. and SS energy: 1.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -2372.301034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.301034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.017690 (E_RNA)
where:
Base-Base interactions energy: -1636.532
where: short stacking energy: -721.350
Base-Backbone interact. energy: -3.353
local terms energy: -734.132935
where:
bonds (distance) C4'-P energy: -126.956
bonds (distance) P-C4' energy: -142.260
flat angles C4'-P-C4' energy: -168.922
flat angles P-C4'-P energy: -101.534
tors. eta vs tors. theta energy: -194.462
Dist. restrs. and SS energy: 1.717 (S_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: 161
Temperature: 1.150000
Total energy: -2270.577001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.577001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.793041 (E_RNA)
where:
Base-Base interactions energy: -1545.660
where: short stacking energy: -655.120
Base-Backbone interact. energy: 6.317
local terms energy: -733.450268
where:
bonds (distance) C4'-P energy: -152.379
bonds (distance) P-C4' energy: -132.098
flat angles C4'-P-C4' energy: -160.764
flat angles P-C4'-P energy: -95.011
tors. eta vs tors. theta energy: -193.197
Dist. restrs. and SS energy: 2.216 (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: 1
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -2152.956884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.956884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.688706 (E_RNA)
where:
Base-Base interactions energy: -1446.447
where: short stacking energy: -645.278
Base-Backbone interact. energy: 4.170
local terms energy: -714.411779
where:
bonds (distance) C4'-P energy: -140.640
bonds (distance) P-C4' energy: -145.204
flat angles C4'-P-C4' energy: -144.400
flat angles P-C4'-P energy: -106.834
tors. eta vs tors. theta energy: -177.335
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: 8, replica: 10
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -1962.859217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.859217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.808533 (E_RNA)
where:
Base-Base interactions energy: -1356.875
where: short stacking energy: -576.699
Base-Backbone interact. energy: -0.325
local terms energy: -607.608040
where:
bonds (distance) C4'-P energy: -115.550
bonds (distance) P-C4' energy: -124.542
flat angles C4'-P-C4' energy: -120.300
flat angles P-C4'-P energy: -100.480
tors. eta vs tors. theta energy: -146.736
Dist. restrs. and SS energy: 1.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -1920.009945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.009945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.441608 (E_RNA)
where:
Base-Base interactions energy: -1321.753
where: short stacking energy: -556.350
Base-Backbone interact. energy: 1.378
local terms energy: -604.066436
where:
bonds (distance) C4'-P energy: -118.083
bonds (distance) P-C4' energy: -128.151
flat angles C4'-P-C4' energy: -145.904
flat angles P-C4'-P energy: -84.482
tors. eta vs tors. theta energy: -127.447
Dist. restrs. and SS energy: 4.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -1859.929133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.929133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.629389 (E_RNA)
where:
Base-Base interactions energy: -1276.169
where: short stacking energy: -541.833
Base-Backbone interact. energy: 4.451
local terms energy: -591.910781
where:
bonds (distance) C4'-P energy: -120.074
bonds (distance) P-C4' energy: -113.935
flat angles C4'-P-C4' energy: -132.680
flat angles P-C4'-P energy: -93.861
tors. eta vs tors. theta energy: -131.360
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: 1, replica: 9
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -2938.765195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2938.765195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2941.165760 (E_RNA)
where:
Base-Base interactions energy: -2054.192
where: short stacking energy: -845.557
Base-Backbone interact. energy: -0.858
local terms energy: -886.115420
where:
bonds (distance) C4'-P energy: -167.829
bonds (distance) P-C4' energy: -159.765
flat angles C4'-P-C4' energy: -187.746
flat angles P-C4'-P energy: -129.379
tors. eta vs tors. theta energy: -241.398
Dist. restrs. and SS energy: 2.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -2745.513987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.513987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.061410 (E_RNA)
where:
Base-Base interactions energy: -1874.193
where: short stacking energy: -800.035
Base-Backbone interact. energy: -3.780
local terms energy: -870.088933
where:
bonds (distance) C4'-P energy: -154.020
bonds (distance) P-C4' energy: -170.045
flat angles C4'-P-C4' energy: -176.305
flat angles P-C4'-P energy: -126.791
tors. eta vs tors. theta energy: -242.928
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: 3, replica: 6
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -2521.383597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.383597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.340982 (E_RNA)
where:
Base-Base interactions energy: -1709.610
where: short stacking energy: -756.165
Base-Backbone interact. energy: -1.980
local terms energy: -810.751671
where:
bonds (distance) C4'-P energy: -145.415
bonds (distance) P-C4' energy: -161.756
flat angles C4'-P-C4' energy: -159.356
flat angles P-C4'-P energy: -119.588
tors. eta vs tors. theta energy: -224.637
Dist. restrs. and SS energy: 0.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -2514.882190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.882190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.587018 (E_RNA)
where:
Base-Base interactions energy: -1710.627
where: short stacking energy: -726.565
Base-Backbone interact. energy: -2.339
local terms energy: -803.621755
where:
bonds (distance) C4'-P energy: -159.283
bonds (distance) P-C4' energy: -157.683
flat angles C4'-P-C4' energy: -167.559
flat angles P-C4'-P energy: -119.675
tors. eta vs tors. theta energy: -199.423
Dist. restrs. and SS energy: 1.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -2354.983427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.983427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.475146 (E_RNA)
where:
Base-Base interactions energy: -1604.793
where: short stacking energy: -661.346
Base-Backbone interact. energy: 0.116
local terms energy: -752.798286
where:
bonds (distance) C4'-P energy: -151.370
bonds (distance) P-C4' energy: -155.313
flat angles C4'-P-C4' energy: -159.659
flat angles P-C4'-P energy: -99.740
tors. eta vs tors. theta energy: -186.716
Dist. restrs. and SS energy: 2.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -2203.878970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.878970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.961625 (E_RNA)
where:
Base-Base interactions energy: -1506.869
where: short stacking energy: -630.029
Base-Backbone interact. energy: -1.161
local terms energy: -700.931930
where:
bonds (distance) C4'-P energy: -135.044
bonds (distance) P-C4' energy: -148.751
flat angles C4'-P-C4' energy: -153.646
flat angles P-C4'-P energy: -87.291
tors. eta vs tors. theta energy: -176.201
Dist. restrs. and SS energy: 5.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -2151.125677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.125677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.331176 (E_RNA)
where:
Base-Base interactions energy: -1444.724
where: short stacking energy: -639.967
Base-Backbone interact. energy: -0.421
local terms energy: -708.186716
where:
bonds (distance) C4'-P energy: -136.675
bonds (distance) P-C4' energy: -136.588
flat angles C4'-P-C4' energy: -168.182
flat angles P-C4'-P energy: -98.144
tors. eta vs tors. theta energy: -168.597
Dist. restrs. and SS energy: 2.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -1985.277975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.277975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.888970 (E_RNA)
where:
Base-Base interactions energy: -1371.004
where: short stacking energy: -583.794
Base-Backbone interact. energy: 0.192
local terms energy: -617.076916
where:
bonds (distance) C4'-P energy: -131.219
bonds (distance) P-C4' energy: -120.693
flat angles C4'-P-C4' energy: -137.756
flat angles P-C4'-P energy: -78.843
tors. eta vs tors. theta energy: -148.566
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: 9, replica: 3
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -1959.735253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.735253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.373121 (E_RNA)
where:
Base-Base interactions energy: -1341.403
where: short stacking energy: -595.896
Base-Backbone interact. energy: -0.600
local terms energy: -621.370344
where:
bonds (distance) C4'-P energy: -101.227
bonds (distance) P-C4' energy: -133.239
flat angles C4'-P-C4' energy: -131.585
flat angles P-C4'-P energy: -104.841
tors. eta vs tors. theta energy: -150.479
Dist. restrs. and SS energy: 3.638 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -1906.441198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.441198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.100215 (E_RNA)
where:
Base-Base interactions energy: -1302.277
where: short stacking energy: -554.740
Base-Backbone interact. energy: 0.746
local terms energy: -608.568974
where:
bonds (distance) C4'-P energy: -111.605
bonds (distance) P-C4' energy: -133.206
flat angles C4'-P-C4' energy: -151.195
flat angles P-C4'-P energy: -82.286
tors. eta vs tors. theta energy: -130.277
Dist. restrs. and SS energy: 3.659 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -2924.018833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2924.018833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2925.690204 (E_RNA)
where:
Base-Base interactions energy: -2032.491
where: short stacking energy: -858.751
Base-Backbone interact. energy: -2.606
local terms energy: -890.593194
where:
bonds (distance) C4'-P energy: -158.191
bonds (distance) P-C4' energy: -161.508
flat angles C4'-P-C4' energy: -190.547
flat angles P-C4'-P energy: -125.699
tors. eta vs tors. theta energy: -254.648
Dist. restrs. and SS energy: 1.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -2710.324684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.324684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.151272 (E_RNA)
where:
Base-Base interactions energy: -1868.342
where: short stacking energy: -789.349
Base-Backbone interact. energy: -3.028
local terms energy: -841.781846
where:
bonds (distance) C4'-P energy: -153.672
bonds (distance) P-C4' energy: -168.844
flat angles C4'-P-C4' energy: -166.387
flat angles P-C4'-P energy: -122.443
tors. eta vs tors. theta energy: -230.437
Dist. restrs. and SS energy: 2.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -2533.046386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.046386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.268019 (E_RNA)
where:
Base-Base interactions energy: -1697.957
where: short stacking energy: -741.151
Base-Backbone interact. energy: -3.079
local terms energy: -833.232737
where:
bonds (distance) C4'-P energy: -142.246
bonds (distance) P-C4' energy: -155.103
flat angles C4'-P-C4' energy: -180.364
flat angles P-C4'-P energy: -122.090
tors. eta vs tors. theta energy: -233.430
Dist. restrs. and SS energy: 1.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -2522.699552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.699552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.815373 (E_RNA)
where:
Base-Base interactions energy: -1714.575
where: short stacking energy: -737.790
Base-Backbone interact. energy: -3.041
local terms energy: -807.198832
where:
bonds (distance) C4'-P energy: -149.381
bonds (distance) P-C4' energy: -159.808
flat angles C4'-P-C4' energy: -176.615
flat angles P-C4'-P energy: -114.877
tors. eta vs tors. theta energy: -206.518
Dist. restrs. and SS energy: 2.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -2377.624529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.624529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.019980 (E_RNA)
where:
Base-Base interactions energy: -1640.189
where: short stacking energy: -700.646
Base-Backbone interact. energy: -2.351
local terms energy: -737.479517
where:
bonds (distance) C4'-P energy: -139.197
bonds (distance) P-C4' energy: -149.018
flat angles C4'-P-C4' energy: -164.274
flat angles P-C4'-P energy: -87.524
tors. eta vs tors. theta energy: -197.466
Dist. restrs. and SS energy: 2.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -2166.426444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.426444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.562586 (E_RNA)
where:
Base-Base interactions energy: -1470.448
where: short stacking energy: -637.099
Base-Backbone interact. energy: -2.927
local terms energy: -697.187938
where:
bonds (distance) C4'-P energy: -133.995
bonds (distance) P-C4' energy: -144.823
flat angles C4'-P-C4' energy: -158.129
flat angles P-C4'-P energy: -83.654
tors. eta vs tors. theta energy: -176.586
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: 7, replica: 1
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -2109.229134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.229134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.776304 (E_RNA)
where:
Base-Base interactions energy: -1407.301
where: short stacking energy: -580.636
Base-Backbone interact. energy: 2.069
local terms energy: -705.544616
where:
bonds (distance) C4'-P energy: -125.185
bonds (distance) P-C4' energy: -150.022
flat angles C4'-P-C4' energy: -170.065
flat angles P-C4'-P energy: -115.522
tors. eta vs tors. theta energy: -144.751
Dist. restrs. and SS energy: 1.547 (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: 10
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -2007.913944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.913944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.525718 (E_RNA)
where:
Base-Base interactions energy: -1373.743
where: short stacking energy: -584.488
Base-Backbone interact. energy: -2.112
local terms energy: -634.671085
where:
bonds (distance) C4'-P energy: -126.867
bonds (distance) P-C4' energy: -141.079
flat angles C4'-P-C4' energy: -145.852
flat angles P-C4'-P energy: -75.038
tors. eta vs tors. theta energy: -145.835
Dist. restrs. and SS energy: 2.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -1908.090804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.090804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.482245 (E_RNA)
where:
Base-Base interactions energy: -1297.974
where: short stacking energy: -551.714
Base-Backbone interact. energy: -2.020
local terms energy: -615.488727
where:
bonds (distance) C4'-P energy: -136.512
bonds (distance) P-C4' energy: -126.147
flat angles C4'-P-C4' energy: -152.965
flat angles P-C4'-P energy: -78.237
tors. eta vs tors. theta energy: -121.628
Dist. restrs. and SS energy: 7.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -1839.755828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.755828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.924695 (E_RNA)
where:
Base-Base interactions energy: -1229.713
where: short stacking energy: -502.514
Base-Backbone interact. energy: 2.040
local terms energy: -621.251268
where:
bonds (distance) C4'-P energy: -141.007
bonds (distance) P-C4' energy: -120.479
flat angles C4'-P-C4' energy: -139.882
flat angles P-C4'-P energy: -83.772
tors. eta vs tors. theta energy: -136.111
Dist. restrs. and SS energy: 9.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -2955.790785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2955.790785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2957.704345 (E_RNA)
where:
Base-Base interactions energy: -2080.719
where: short stacking energy: -879.290
Base-Backbone interact. energy: 2.681
local terms energy: -879.666134
where:
bonds (distance) C4'-P energy: -147.341
bonds (distance) P-C4' energy: -165.688
flat angles C4'-P-C4' energy: -179.466
flat angles P-C4'-P energy: -140.298
tors. eta vs tors. theta energy: -246.874
Dist. restrs. and SS energy: 1.914 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -2726.681771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.681771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.752692 (E_RNA)
where:
Base-Base interactions energy: -1889.332
where: short stacking energy: -827.986
Base-Backbone interact. energy: -4.802
local terms energy: -833.618882
where:
bonds (distance) C4'-P energy: -141.181
bonds (distance) P-C4' energy: -164.195
flat angles C4'-P-C4' energy: -177.073
flat angles P-C4'-P energy: -111.635
tors. eta vs tors. theta energy: -239.536
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: 6
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -2559.104826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.104826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.448988 (E_RNA)
where:
Base-Base interactions energy: -1745.650
where: short stacking energy: -775.628
Base-Backbone interact. energy: 4.753
local terms energy: -819.551649
where:
bonds (distance) C4'-P energy: -152.849
bonds (distance) P-C4' energy: -159.498
flat angles C4'-P-C4' energy: -167.217
flat angles P-C4'-P energy: -115.952
tors. eta vs tors. theta energy: -224.035
Dist. restrs. and SS energy: 1.344 (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: 7
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -2466.725972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.725972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.091371 (E_RNA)
where:
Base-Base interactions energy: -1679.114
where: short stacking energy: -712.211
Base-Backbone interact. energy: -1.747
local terms energy: -787.230428
where:
bonds (distance) C4'-P energy: -149.602
bonds (distance) P-C4' energy: -147.630
flat angles C4'-P-C4' energy: -162.167
flat angles P-C4'-P energy: -117.027
tors. eta vs tors. theta energy: -210.804
Dist. restrs. and SS energy: 1.365 (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: 5
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -2380.515212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.515212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.261634 (E_RNA)
where:
Base-Base interactions energy: -1640.833
where: short stacking energy: -727.245
Base-Backbone interact. energy: -1.129
local terms energy: -740.299610
where:
bonds (distance) C4'-P energy: -135.100
bonds (distance) P-C4' energy: -129.273
flat angles C4'-P-C4' energy: -170.582
flat angles P-C4'-P energy: -86.064
tors. eta vs tors. theta energy: -219.280
Dist. restrs. and SS energy: 1.746 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -2185.542607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.542607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.198262 (E_RNA)
where:
Base-Base interactions energy: -1484.232
where: short stacking energy: -639.318
Base-Backbone interact. energy: 0.180
local terms energy: -703.146663
where:
bonds (distance) C4'-P energy: -131.010
bonds (distance) P-C4' energy: -145.222
flat angles C4'-P-C4' energy: -164.259
flat angles P-C4'-P energy: -93.658
tors. eta vs tors. theta energy: -168.997
Dist. restrs. and SS energy: 1.656 (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: 164
Temperature: 1.200000
Total energy: -2142.948334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.948334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.995813 (E_RNA)
where:
Base-Base interactions energy: -1478.429
where: short stacking energy: -648.148
Base-Backbone interact. energy: -0.892
local terms energy: -666.674748
where:
bonds (distance) C4'-P energy: -125.021
bonds (distance) P-C4' energy: -134.558
flat angles C4'-P-C4' energy: -147.638
flat angles P-C4'-P energy: -90.305
tors. eta vs tors. theta energy: -169.153
Dist. restrs. and SS energy: 3.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -2011.584142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.584142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.332564 (E_RNA)
where:
Base-Base interactions energy: -1351.063
where: short stacking energy: -558.034
Base-Backbone interact. energy: 0.926
local terms energy: -664.195941
where:
bonds (distance) C4'-P energy: -136.194
bonds (distance) P-C4' energy: -136.542
flat angles C4'-P-C4' energy: -134.337
flat angles P-C4'-P energy: -96.899
tors. eta vs tors. theta energy: -160.224
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: 9, replica: 3
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -1907.720633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.720633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.993850 (E_RNA)
where:
Base-Base interactions energy: -1290.556
where: short stacking energy: -515.544
Base-Backbone interact. energy: 11.878
local terms energy: -631.315516
where:
bonds (distance) C4'-P energy: -119.610
bonds (distance) P-C4' energy: -141.128
flat angles C4'-P-C4' energy: -136.592
flat angles P-C4'-P energy: -106.547
tors. eta vs tors. theta energy: -127.438
Dist. restrs. and SS energy: 2.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -1916.738110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.738110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.590510 (E_RNA)
where:
Base-Base interactions energy: -1313.284
where: short stacking energy: -535.592
Base-Backbone interact. energy: -0.779
local terms energy: -606.527699
where:
bonds (distance) C4'-P energy: -128.878
bonds (distance) P-C4' energy: -110.212
flat angles C4'-P-C4' energy: -142.034
flat angles P-C4'-P energy: -93.526
tors. eta vs tors. theta energy: -131.879
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: 1, replica: 9
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -2947.155581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2947.155581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2948.355990 (E_RNA)
where:
Base-Base interactions energy: -2076.731
where: short stacking energy: -836.338
Base-Backbone interact. energy: 5.933
local terms energy: -877.558933
where:
bonds (distance) C4'-P energy: -164.727
bonds (distance) P-C4' energy: -162.164
flat angles C4'-P-C4' energy: -190.970
flat angles P-C4'-P energy: -113.812
tors. eta vs tors. theta energy: -245.887
Dist. restrs. and SS energy: 1.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -2711.736687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.736687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.606157 (E_RNA)
where:
Base-Base interactions energy: -1837.366
where: short stacking energy: -785.116
Base-Backbone interact. energy: -4.706
local terms energy: -871.534188
where:
bonds (distance) C4'-P energy: -154.729
bonds (distance) P-C4' energy: -173.195
flat angles C4'-P-C4' energy: -183.932
flat angles P-C4'-P energy: -123.456
tors. eta vs tors. theta energy: -236.222
Dist. restrs. and SS energy: 1.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -2561.160847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.160847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.408215 (E_RNA)
where:
Base-Base interactions energy: -1755.591
where: short stacking energy: -786.947
Base-Backbone interact. energy: 0.053
local terms energy: -807.869859
where:
bonds (distance) C4'-P energy: -143.291
bonds (distance) P-C4' energy: -146.095
flat angles C4'-P-C4' energy: -180.180
flat angles P-C4'-P energy: -111.524
tors. eta vs tors. theta energy: -226.781
Dist. restrs. and SS energy: 2.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -2509.830705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.830705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.779124 (E_RNA)
where:
Base-Base interactions energy: -1706.590
where: short stacking energy: -715.327
Base-Backbone interact. energy: -2.498
local terms energy: -802.690668
where:
bonds (distance) C4'-P energy: -140.757
bonds (distance) P-C4' energy: -171.054
flat angles C4'-P-C4' energy: -163.175
flat angles P-C4'-P energy: -121.176
tors. eta vs tors. theta energy: -206.529
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: 5, replica: 5
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -2390.510165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.510165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.219957 (E_RNA)
where:
Base-Base interactions energy: -1643.246
where: short stacking energy: -687.299
Base-Backbone interact. energy: -2.866
local terms energy: -746.108111
where:
bonds (distance) C4'-P energy: -133.151
bonds (distance) P-C4' energy: -153.216
flat angles C4'-P-C4' energy: -153.495
flat angles P-C4'-P energy: -111.577
tors. eta vs tors. theta energy: -194.668
Dist. restrs. and SS energy: 1.710 (S_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: 165
Temperature: 1.150000
Total energy: -2156.143274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.143274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.080707 (E_RNA)
where:
Base-Base interactions energy: -1447.051
where: short stacking energy: -609.903
Base-Backbone interact. energy: -3.211
local terms energy: -709.818599
where:
bonds (distance) C4'-P energy: -129.363
bonds (distance) P-C4' energy: -147.970
flat angles C4'-P-C4' energy: -163.443
flat angles P-C4'-P energy: -108.526
tors. eta vs tors. theta energy: -160.516
Dist. restrs. and SS energy: 3.937 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -2052.899961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.899961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.725823 (E_RNA)
where:
Base-Base interactions energy: -1368.118
where: short stacking energy: -596.420
Base-Backbone interact. energy: 0.171
local terms energy: -687.778271
where:
bonds (distance) C4'-P energy: -130.269
bonds (distance) P-C4' energy: -143.569
flat angles C4'-P-C4' energy: -146.133
flat angles P-C4'-P energy: -103.115
tors. eta vs tors. theta energy: -164.692
Dist. restrs. and SS energy: 2.826 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -2063.037985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.037985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.821828 (E_RNA)
where:
Base-Base interactions energy: -1407.150
where: short stacking energy: -589.396
Base-Backbone interact. energy: 0.192
local terms energy: -658.863867
where:
bonds (distance) C4'-P energy: -119.850
bonds (distance) P-C4' energy: -144.162
flat angles C4'-P-C4' energy: -140.170
flat angles P-C4'-P energy: -98.960
tors. eta vs tors. theta energy: -155.721
Dist. restrs. and SS energy: 2.784 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -1926.044052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.044052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.964171 (E_RNA)
where:
Base-Base interactions energy: -1310.048
where: short stacking energy: -554.621
Base-Backbone interact. energy: 10.366
local terms energy: -629.282182
where:
bonds (distance) C4'-P energy: -127.161
bonds (distance) P-C4' energy: -124.696
flat angles C4'-P-C4' energy: -142.483
flat angles P-C4'-P energy: -80.361
tors. eta vs tors. theta energy: -154.581
Dist. restrs. and SS energy: 2.920 (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: 8
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -1880.455850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.455850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.588369 (E_RNA)
where:
Base-Base interactions energy: -1255.725
where: short stacking energy: -528.510
Base-Backbone interact. energy: -4.050
local terms energy: -623.813236
where:
bonds (distance) C4'-P energy: -128.941
bonds (distance) P-C4' energy: -127.260
flat angles C4'-P-C4' energy: -152.236
flat angles P-C4'-P energy: -79.156
tors. eta vs tors. theta energy: -136.220
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: 1, replica: 9
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -2955.155904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2955.155904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2956.608329 (E_RNA)
where:
Base-Base interactions energy: -2074.461
where: short stacking energy: -834.948
Base-Backbone interact. energy: 8.414
local terms energy: -890.562008
where:
bonds (distance) C4'-P energy: -164.584
bonds (distance) P-C4' energy: -169.388
flat angles C4'-P-C4' energy: -186.556
flat angles P-C4'-P energy: -119.637
tors. eta vs tors. theta energy: -250.398
Dist. restrs. and SS energy: 1.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -2761.699017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2761.699017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2763.457631 (E_RNA)
where:
Base-Base interactions energy: -1897.423
where: short stacking energy: -816.144
Base-Backbone interact. energy: -3.562
local terms energy: -862.472711
where:
bonds (distance) C4'-P energy: -166.239
bonds (distance) P-C4' energy: -164.513
flat angles C4'-P-C4' energy: -175.381
flat angles P-C4'-P energy: -121.734
tors. eta vs tors. theta energy: -234.606
Dist. restrs. and SS energy: 1.759 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -2577.362281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.362281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.956113 (E_RNA)
where:
Base-Base interactions energy: -1749.929
where: short stacking energy: -768.066
Base-Backbone interact. energy: 2.500
local terms energy: -831.527392
where:
bonds (distance) C4'-P energy: -147.916
bonds (distance) P-C4' energy: -163.147
flat angles C4'-P-C4' energy: -172.799
flat angles P-C4'-P energy: -122.834
tors. eta vs tors. theta energy: -224.830
Dist. restrs. and SS energy: 1.594 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -2490.619480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.619480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.518042 (E_RNA)
where:
Base-Base interactions energy: -1729.613
where: short stacking energy: -728.640
Base-Backbone interact. energy: -3.894
local terms energy: -760.011401
where:
bonds (distance) C4'-P energy: -152.282
bonds (distance) P-C4' energy: -149.690
flat angles C4'-P-C4' energy: -147.420
flat angles P-C4'-P energy: -103.684
tors. eta vs tors. theta energy: -206.936
Dist. restrs. and SS energy: 2.899 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -2361.576732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.576732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.183440 (E_RNA)
where:
Base-Base interactions energy: -1622.808
where: short stacking energy: -687.966
Base-Backbone interact. energy: 0.837
local terms energy: -742.213136
where:
bonds (distance) C4'-P energy: -136.861
bonds (distance) P-C4' energy: -151.008
flat angles C4'-P-C4' energy: -159.193
flat angles P-C4'-P energy: -98.397
tors. eta vs tors. theta energy: -196.753
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: 6, replica: 2
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -2192.912990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.912990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.011377 (E_RNA)
where:
Base-Base interactions energy: -1482.246
where: short stacking energy: -638.994
Base-Backbone interact. energy: 2.856
local terms energy: -715.621700
where:
bonds (distance) C4'-P energy: -145.710
bonds (distance) P-C4' energy: -128.782
flat angles C4'-P-C4' energy: -163.665
flat angles P-C4'-P energy: -101.253
tors. eta vs tors. theta energy: -176.212
Dist. restrs. and SS energy: 2.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -2069.415030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.415030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.108965 (E_RNA)
where:
Base-Base interactions energy: -1372.103
where: short stacking energy: -577.433
Base-Backbone interact. energy: 1.050
local terms energy: -700.056048
where:
bonds (distance) C4'-P energy: -139.229
bonds (distance) P-C4' energy: -148.538
flat angles C4'-P-C4' energy: -163.213
flat angles P-C4'-P energy: -99.306
tors. eta vs tors. theta energy: -149.770
Dist. restrs. and SS energy: 1.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -1994.600889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.600889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.219825 (E_RNA)
where:
Base-Base interactions energy: -1350.110
where: short stacking energy: -581.324
Base-Backbone interact. energy: 0.448
local terms energy: -648.557404
where:
bonds (distance) C4'-P energy: -128.880
bonds (distance) P-C4' energy: -127.637
flat angles C4'-P-C4' energy: -153.069
flat angles P-C4'-P energy: -93.719
tors. eta vs tors. theta energy: -145.253
Dist. restrs. and SS energy: 3.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -1927.580682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.580682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.298696 (E_RNA)
where:
Base-Base interactions energy: -1276.066
where: short stacking energy: -520.636
Base-Backbone interact. energy: -1.431
local terms energy: -651.801002
where:
bonds (distance) C4'-P energy: -140.890
bonds (distance) P-C4' energy: -139.298
flat angles C4'-P-C4' energy: -158.184
flat angles P-C4'-P energy: -80.122
tors. eta vs tors. theta energy: -133.307
Dist. restrs. and SS energy: 1.718 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -1875.402671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.402671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.624506 (E_RNA)
where:
Base-Base interactions energy: -1268.104
where: short stacking energy: -520.373
Base-Backbone interact. energy: 1.221
local terms energy: -615.741081
where:
bonds (distance) C4'-P energy: -123.668
bonds (distance) P-C4' energy: -144.708
flat angles C4'-P-C4' energy: -137.143
flat angles P-C4'-P energy: -71.685
tors. eta vs tors. theta energy: -138.537
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: 1, replica: 9
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -2969.736273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2969.736273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2971.316732 (E_RNA)
where:
Base-Base interactions energy: -2082.648
where: short stacking energy: -846.669
Base-Backbone interact. energy: 5.332
local terms energy: -894.000616
where:
bonds (distance) C4'-P energy: -177.769
bonds (distance) P-C4' energy: -175.933
flat angles C4'-P-C4' energy: -174.106
flat angles P-C4'-P energy: -122.027
tors. eta vs tors. theta energy: -244.165
Dist. restrs. and SS energy: 1.580 (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: 4
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -2748.584756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2748.584756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.862073 (E_RNA)
where:
Base-Base interactions energy: -1916.452
where: short stacking energy: -778.528
Base-Backbone interact. energy: -2.310
local terms energy: -831.099899
where:
bonds (distance) C4'-P energy: -142.419
bonds (distance) P-C4' energy: -157.929
flat angles C4'-P-C4' energy: -180.866
flat angles P-C4'-P energy: -122.842
tors. eta vs tors. theta energy: -227.044
Dist. restrs. and SS energy: 1.277 (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: 6
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -2555.183273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.183273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.045514 (E_RNA)
where:
Base-Base interactions energy: -1743.231
where: short stacking energy: -770.696
Base-Backbone interact. energy: 1.438
local terms energy: -815.252777
where:
bonds (distance) C4'-P energy: -130.446
bonds (distance) P-C4' energy: -152.074
flat angles C4'-P-C4' energy: -185.037
flat angles P-C4'-P energy: -120.632
tors. eta vs tors. theta energy: -227.065
Dist. restrs. and SS energy: 1.862 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -2491.731025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.731025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.738660 (E_RNA)
where:
Base-Base interactions energy: -1709.646
where: short stacking energy: -739.367
Base-Backbone interact. energy: -2.557
local terms energy: -780.536398
where:
bonds (distance) C4'-P energy: -138.253
bonds (distance) P-C4' energy: -143.323
flat angles C4'-P-C4' energy: -172.141
flat angles P-C4'-P energy: -120.768
tors. eta vs tors. theta energy: -206.052
Dist. restrs. and SS energy: 1.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -2416.638823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.638823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.533317 (E_RNA)
where:
Base-Base interactions energy: -1625.268
where: short stacking energy: -690.717
Base-Backbone interact. energy: -0.329
local terms energy: -792.937188
where:
bonds (distance) C4'-P energy: -145.063
bonds (distance) P-C4' energy: -157.553
flat angles C4'-P-C4' energy: -176.809
flat angles P-C4'-P energy: -117.935
tors. eta vs tors. theta energy: -195.577
Dist. restrs. and SS energy: 1.894 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -2225.666989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.666989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.740521 (E_RNA)
where:
Base-Base interactions energy: -1490.957
where: short stacking energy: -665.062
Base-Backbone interact. energy: 0.798
local terms energy: -738.582119
where:
bonds (distance) C4'-P energy: -140.101
bonds (distance) P-C4' energy: -145.999
flat angles C4'-P-C4' energy: -175.235
flat angles P-C4'-P energy: -88.631
tors. eta vs tors. theta energy: -188.618
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: 7, replica: 2
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -2209.731562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.731562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.485391 (E_RNA)
where:
Base-Base interactions energy: -1515.369
where: short stacking energy: -651.791
Base-Backbone interact. energy: 1.006
local terms energy: -697.122422
where:
bonds (distance) C4'-P energy: -146.247
bonds (distance) P-C4' energy: -132.548
flat angles C4'-P-C4' energy: -158.850
flat angles P-C4'-P energy: -84.394
tors. eta vs tors. theta energy: -175.084
Dist. restrs. and SS energy: 1.754 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -1999.823705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.823705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.895430 (E_RNA)
where:
Base-Base interactions energy: -1370.782
where: short stacking energy: -583.128
Base-Backbone interact. energy: 7.645
local terms energy: -639.757697
where:
bonds (distance) C4'-P energy: -114.696
bonds (distance) P-C4' energy: -136.287
flat angles C4'-P-C4' energy: -140.938
flat angles P-C4'-P energy: -99.358
tors. eta vs tors. theta energy: -148.478
Dist. restrs. and SS energy: 3.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -1937.253384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.253384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.179260 (E_RNA)
where:
Base-Base interactions energy: -1314.100
where: short stacking energy: -539.805
Base-Backbone interact. energy: 3.577
local terms energy: -629.656333
where:
bonds (distance) C4'-P energy: -120.158
bonds (distance) P-C4' energy: -133.295
flat angles C4'-P-C4' energy: -149.999
flat angles P-C4'-P energy: -95.312
tors. eta vs tors. theta energy: -130.893
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: 10, replica: 8
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -1823.009874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.009874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.430333 (E_RNA)
where:
Base-Base interactions energy: -1284.226
where: short stacking energy: -553.837
Base-Backbone interact. energy: -0.547
local terms energy: -545.657462
where:
bonds (distance) C4'-P energy: -111.273
bonds (distance) P-C4' energy: -104.576
flat angles C4'-P-C4' energy: -121.529
flat angles P-C4'-P energy: -77.493
tors. eta vs tors. theta energy: -130.786
Dist. restrs. and SS energy: 7.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -2948.275282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2948.275282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2950.108763 (E_RNA)
where:
Base-Base interactions energy: -2073.028
where: short stacking energy: -844.980
Base-Backbone interact. energy: -1.969
local terms energy: -875.111798
where:
bonds (distance) C4'-P energy: -170.095
bonds (distance) P-C4' energy: -158.432
flat angles C4'-P-C4' energy: -176.579
flat angles P-C4'-P energy: -121.443
tors. eta vs tors. theta energy: -248.563
Dist. restrs. and SS energy: 1.833 (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: 4
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -2747.262326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2747.262326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.571568 (E_RNA)
where:
Base-Base interactions energy: -1923.376
where: short stacking energy: -824.617
Base-Backbone interact. energy: -4.704
local terms energy: -821.492485
where:
bonds (distance) C4'-P energy: -145.513
bonds (distance) P-C4' energy: -142.769
flat angles C4'-P-C4' energy: -169.934
flat angles P-C4'-P energy: -124.790
tors. eta vs tors. theta energy: -238.486
Dist. restrs. and SS energy: 2.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -2522.381816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.381816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.369240 (E_RNA)
where:
Base-Base interactions energy: -1735.190
where: short stacking energy: -756.803
Base-Backbone interact. energy: 2.618
local terms energy: -791.797693
where:
bonds (distance) C4'-P energy: -146.269
bonds (distance) P-C4' energy: -130.957
flat angles C4'-P-C4' energy: -180.717
flat angles P-C4'-P energy: -111.299
tors. eta vs tors. theta energy: -222.556
Dist. restrs. and SS energy: 1.987 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -2522.466966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.466966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.369061 (E_RNA)
where:
Base-Base interactions energy: -1718.683
where: short stacking energy: -735.100
Base-Backbone interact. energy: 0.510
local terms energy: -808.195116
where:
bonds (distance) C4'-P energy: -150.608
bonds (distance) P-C4' energy: -145.582
flat angles C4'-P-C4' energy: -178.914
flat angles P-C4'-P energy: -107.579
tors. eta vs tors. theta energy: -225.512
Dist. restrs. and SS energy: 3.902 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -2400.175890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.175890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.358097 (E_RNA)
where:
Base-Base interactions energy: -1633.172
where: short stacking energy: -715.839
Base-Backbone interact. energy: 2.606
local terms energy: -771.791861
where:
bonds (distance) C4'-P energy: -145.403
bonds (distance) P-C4' energy: -142.829
flat angles C4'-P-C4' energy: -175.161
flat angles P-C4'-P energy: -118.351
tors. eta vs tors. theta energy: -190.048
Dist. restrs. and SS energy: 2.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -2203.332078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.332078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.245206 (E_RNA)
where:
Base-Base interactions energy: -1482.558
where: short stacking energy: -631.340
Base-Backbone interact. energy: 0.693
local terms energy: -723.380782
where:
bonds (distance) C4'-P energy: -138.124
bonds (distance) P-C4' energy: -147.002
flat angles C4'-P-C4' energy: -164.973
flat angles P-C4'-P energy: -96.743
tors. eta vs tors. theta energy: -176.538
Dist. restrs. and SS energy: 1.913 (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: 2
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -2088.971640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.971640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.691990 (E_RNA)
where:
Base-Base interactions energy: -1422.729
where: short stacking energy: -599.412
Base-Backbone interact. energy: 1.882
local terms energy: -669.845384
where:
bonds (distance) C4'-P energy: -144.125
bonds (distance) P-C4' energy: -119.860
flat angles C4'-P-C4' energy: -145.166
flat angles P-C4'-P energy: -99.081
tors. eta vs tors. theta energy: -161.614
Dist. restrs. and SS energy: 1.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -2043.000254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.000254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.809516 (E_RNA)
where:
Base-Base interactions energy: -1391.188
where: short stacking energy: -583.702
Base-Backbone interact. energy: -1.141
local terms energy: -652.480095
where:
bonds (distance) C4'-P energy: -149.656
bonds (distance) P-C4' energy: -140.965
flat angles C4'-P-C4' energy: -139.771
flat angles P-C4'-P energy: -72.538
tors. eta vs tors. theta energy: -149.551
Dist. restrs. and SS energy: 1.809 (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: 8
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -1861.320396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.320396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.082348 (E_RNA)
where:
Base-Base interactions energy: -1281.270
where: short stacking energy: -522.396
Base-Backbone interact. energy: 1.531
local terms energy: -584.343068
where:
bonds (distance) C4'-P energy: -116.939
bonds (distance) P-C4' energy: -146.577
flat angles C4'-P-C4' energy: -128.054
flat angles P-C4'-P energy: -70.126
tors. eta vs tors. theta energy: -122.646
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: 10, replica: 3
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -1802.865359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.865359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.579967 (E_RNA)
where:
Base-Base interactions energy: -1238.171
where: short stacking energy: -510.904
Base-Backbone interact. energy: 5.011
local terms energy: -578.420833
where:
bonds (distance) C4'-P energy: -117.251
bonds (distance) P-C4' energy: -137.250
flat angles C4'-P-C4' energy: -123.291
flat angles P-C4'-P energy: -70.371
tors. eta vs tors. theta energy: -130.258
Dist. restrs. and SS energy: 8.715 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -2935.882332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2935.882332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2938.316294 (E_RNA)
where:
Base-Base interactions energy: -2074.422
where: short stacking energy: -830.778
Base-Backbone interact. energy: -1.255
local terms energy: -862.639986
where:
bonds (distance) C4'-P energy: -154.368
bonds (distance) P-C4' energy: -160.572
flat angles C4'-P-C4' energy: -189.301
flat angles P-C4'-P energy: -116.553
tors. eta vs tors. theta energy: -241.845
Dist. restrs. and SS energy: 2.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -2724.228313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.228313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2725.838301 (E_RNA)
where:
Base-Base interactions energy: -1869.761
where: short stacking energy: -783.576
Base-Backbone interact. energy: -4.851
local terms energy: -851.225710
where:
bonds (distance) C4'-P energy: -149.039
bonds (distance) P-C4' energy: -161.166
flat angles C4'-P-C4' energy: -187.950
flat angles P-C4'-P energy: -127.106
tors. eta vs tors. theta energy: -225.965
Dist. restrs. and SS energy: 1.610 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -2564.301742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.301742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.074228 (E_RNA)
where:
Base-Base interactions energy: -1774.449
where: short stacking energy: -771.808
Base-Backbone interact. energy: 6.605
local terms energy: -798.230597
where:
bonds (distance) C4'-P energy: -149.958
bonds (distance) P-C4' energy: -156.884
flat angles C4'-P-C4' energy: -172.769
flat angles P-C4'-P energy: -93.613
tors. eta vs tors. theta energy: -225.006
Dist. restrs. and SS energy: 1.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -2523.274656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.274656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.494518 (E_RNA)
where:
Base-Base interactions energy: -1764.991
where: short stacking energy: -751.490
Base-Backbone interact. energy: -5.569
local terms energy: -755.935269
where:
bonds (distance) C4'-P energy: -132.756
bonds (distance) P-C4' energy: -134.570
flat angles C4'-P-C4' energy: -172.801
flat angles P-C4'-P energy: -92.816
tors. eta vs tors. theta energy: -222.993
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: 5, replica: 5
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -2404.308005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.308005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.525765 (E_RNA)
where:
Base-Base interactions energy: -1648.114
where: short stacking energy: -707.687
Base-Backbone interact. energy: -0.633
local terms energy: -756.779179
where:
bonds (distance) C4'-P energy: -126.835
bonds (distance) P-C4' energy: -160.245
flat angles C4'-P-C4' energy: -168.753
flat angles P-C4'-P energy: -97.224
tors. eta vs tors. theta energy: -203.721
Dist. restrs. and SS energy: 1.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -2152.810854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.810854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.750022 (E_RNA)
where:
Base-Base interactions energy: -1436.052
where: short stacking energy: -613.692
Base-Backbone interact. energy: 0.096
local terms energy: -720.793332
where:
bonds (distance) C4'-P energy: -145.141
bonds (distance) P-C4' energy: -152.110
flat angles C4'-P-C4' energy: -152.096
flat angles P-C4'-P energy: -104.598
tors. eta vs tors. theta energy: -166.849
Dist. restrs. and SS energy: 3.939 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -2158.077399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.077399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.353331 (E_RNA)
where:
Base-Base interactions energy: -1493.004
where: short stacking energy: -636.218
Base-Backbone interact. energy: -3.353
local terms energy: -664.997171
where:
bonds (distance) C4'-P energy: -116.992
bonds (distance) P-C4' energy: -142.896
flat angles C4'-P-C4' energy: -160.725
flat angles P-C4'-P energy: -74.353
tors. eta vs tors. theta energy: -170.032
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: 8, replica: 10
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -1991.104166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.104166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.135379 (E_RNA)
where:
Base-Base interactions energy: -1368.426
where: short stacking energy: -572.118
Base-Backbone interact. energy: 0.784
local terms energy: -627.493685
where:
bonds (distance) C4'-P energy: -112.398
bonds (distance) P-C4' energy: -136.003
flat angles C4'-P-C4' energy: -141.876
flat angles P-C4'-P energy: -94.573
tors. eta vs tors. theta energy: -142.643
Dist. restrs. and SS energy: 4.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -1902.063085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.063085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.132687 (E_RNA)
where:
Base-Base interactions energy: -1280.980
where: short stacking energy: -555.833
Base-Backbone interact. energy: -4.582
local terms energy: -624.570390
where:
bonds (distance) C4'-P energy: -115.328
bonds (distance) P-C4' energy: -133.271
flat angles C4'-P-C4' energy: -145.220
flat angles P-C4'-P energy: -91.658
tors. eta vs tors. theta energy: -139.093
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: 10, replica: 3
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -1855.480935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.480935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.922872 (E_RNA)
where:
Base-Base interactions energy: -1259.103
where: short stacking energy: -517.771
Base-Backbone interact. energy: 3.256
local terms energy: -603.075686
where:
bonds (distance) C4'-P energy: -112.154
bonds (distance) P-C4' energy: -131.599
flat angles C4'-P-C4' energy: -145.335
flat angles P-C4'-P energy: -65.976
tors. eta vs tors. theta energy: -148.012
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: 1, replica: 9
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -2940.807496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2940.807496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2941.762049 (E_RNA)
where:
Base-Base interactions energy: -2056.967
where: short stacking energy: -844.347
Base-Backbone interact. energy: -2.075
local terms energy: -882.720112
where:
bonds (distance) C4'-P energy: -163.185
bonds (distance) P-C4' energy: -175.968
flat angles C4'-P-C4' energy: -175.071
flat angles P-C4'-P energy: -126.574
tors. eta vs tors. theta energy: -241.922
Dist. restrs. and SS energy: 0.955 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -2749.632685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2749.632685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2751.306314 (E_RNA)
where:
Base-Base interactions energy: -1893.344
where: short stacking energy: -789.636
Base-Backbone interact. energy: -4.286
local terms energy: -853.676042
where:
bonds (distance) C4'-P energy: -161.459
bonds (distance) P-C4' energy: -166.787
flat angles C4'-P-C4' energy: -178.584
flat angles P-C4'-P energy: -118.626
tors. eta vs tors. theta energy: -228.220
Dist. restrs. and SS energy: 1.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -2572.635686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.635686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.822948 (E_RNA)
where:
Base-Base interactions energy: -1745.747
where: short stacking energy: -760.522
Base-Backbone interact. energy: -2.719
local terms energy: -825.356134
where:
bonds (distance) C4'-P energy: -163.143
bonds (distance) P-C4' energy: -154.772
flat angles C4'-P-C4' energy: -173.639
flat angles P-C4'-P energy: -102.721
tors. eta vs tors. theta energy: -231.081
Dist. restrs. and SS energy: 1.187 (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: 7
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -2512.210620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.210620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.240813 (E_RNA)
where:
Base-Base interactions energy: -1757.392
where: short stacking energy: -730.370
Base-Backbone interact. energy: -2.728
local terms energy: -753.120585
where:
bonds (distance) C4'-P energy: -141.122
bonds (distance) P-C4' energy: -137.887
flat angles C4'-P-C4' energy: -160.912
flat angles P-C4'-P energy: -111.687
tors. eta vs tors. theta energy: -201.512
Dist. restrs. and SS energy: 1.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -2407.620341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.620341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.498864 (E_RNA)
where:
Base-Base interactions energy: -1667.172
where: short stacking energy: -727.458
Base-Backbone interact. energy: -0.704
local terms energy: -741.622375
where:
bonds (distance) C4'-P energy: -125.263
bonds (distance) P-C4' energy: -132.000
flat angles C4'-P-C4' energy: -175.024
flat angles P-C4'-P energy: -96.033
tors. eta vs tors. theta energy: -213.303
Dist. restrs. and SS energy: 1.879 (S_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: 170
Temperature: 1.150000
Total energy: -2207.184559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.184559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.847456 (E_RNA)
where:
Base-Base interactions energy: -1487.404
where: short stacking energy: -637.078
Base-Backbone interact. energy: -3.632
local terms energy: -718.811039
where:
bonds (distance) C4'-P energy: -148.855
bonds (distance) P-C4' energy: -129.690
flat angles C4'-P-C4' energy: -165.094
flat angles P-C4'-P energy: -103.829
tors. eta vs tors. theta energy: -171.343
Dist. restrs. and SS energy: 2.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -2114.292604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.292604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.757821 (E_RNA)
where:
Base-Base interactions energy: -1435.754
where: short stacking energy: -630.123
Base-Backbone interact. energy: -1.856
local terms energy: -679.147776
where:
bonds (distance) C4'-P energy: -125.566
bonds (distance) P-C4' energy: -133.277
flat angles C4'-P-C4' energy: -154.541
flat angles P-C4'-P energy: -100.403
tors. eta vs tors. theta energy: -165.360
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: 8, replica: 10
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -2022.119388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.119388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.863302 (E_RNA)
where:
Base-Base interactions energy: -1353.886
where: short stacking energy: -550.179
Base-Backbone interact. energy: -0.889
local terms energy: -669.088886
where:
bonds (distance) C4'-P energy: -138.174
bonds (distance) P-C4' energy: -142.213
flat angles C4'-P-C4' energy: -149.049
flat angles P-C4'-P energy: -80.875
tors. eta vs tors. theta energy: -158.777
Dist. restrs. and SS energy: 1.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -1902.859878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.859878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.976930 (E_RNA)
where:
Base-Base interactions energy: -1293.615
where: short stacking energy: -551.136
Base-Backbone interact. energy: -0.633
local terms energy: -612.729085
where:
bonds (distance) C4'-P energy: -127.586
bonds (distance) P-C4' energy: -124.936
flat angles C4'-P-C4' energy: -153.498
flat angles P-C4'-P energy: -67.754
tors. eta vs tors. theta energy: -138.955
Dist. restrs. and SS energy: 4.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -1876.398545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.398545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.887143 (E_RNA)
where:
Base-Base interactions energy: -1253.616
where: short stacking energy: -499.660
Base-Backbone interact. energy: -1.287
local terms energy: -624.984422
where:
bonds (distance) C4'-P energy: -123.210
bonds (distance) P-C4' energy: -143.529
flat angles C4'-P-C4' energy: -139.598
flat angles P-C4'-P energy: -86.416
tors. eta vs tors. theta energy: -132.232
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: 1, replica: 9
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -2949.932168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2949.932168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2951.056779 (E_RNA)
where:
Base-Base interactions energy: -2069.856
where: short stacking energy: -844.511
Base-Backbone interact. energy: 3.730
local terms energy: -884.930338
where:
bonds (distance) C4'-P energy: -163.040
bonds (distance) P-C4' energy: -155.546
flat angles C4'-P-C4' energy: -192.413
flat angles P-C4'-P energy: -126.315
tors. eta vs tors. theta energy: -247.617
Dist. restrs. and SS energy: 1.125 (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: 4
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -2758.615931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.615931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2759.961966 (E_RNA)
where:
Base-Base interactions energy: -1906.717
where: short stacking energy: -798.078
Base-Backbone interact. energy: -4.066
local terms energy: -849.178503
where:
bonds (distance) C4'-P energy: -156.055
bonds (distance) P-C4' energy: -164.513
flat angles C4'-P-C4' energy: -183.303
flat angles P-C4'-P energy: -127.579
tors. eta vs tors. theta energy: -217.728
Dist. restrs. and SS energy: 1.346 (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: 6
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -2621.373395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.373395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.733253 (E_RNA)
where:
Base-Base interactions energy: -1788.036
where: short stacking energy: -789.003
Base-Backbone interact. energy: -3.168
local terms energy: -831.529079
where:
bonds (distance) C4'-P energy: -140.790
bonds (distance) P-C4' energy: -156.125
flat angles C4'-P-C4' energy: -180.800
flat angles P-C4'-P energy: -118.494
tors. eta vs tors. theta energy: -235.319
Dist. restrs. and SS energy: 1.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -2492.292231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.292231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.594583 (E_RNA)
where:
Base-Base interactions energy: -1690.051
where: short stacking energy: -720.854
Base-Backbone interact. energy: 3.106
local terms energy: -806.649525
where:
bonds (distance) C4'-P energy: -150.218
bonds (distance) P-C4' energy: -149.419
flat angles C4'-P-C4' energy: -163.532
flat angles P-C4'-P energy: -132.818
tors. eta vs tors. theta energy: -210.662
Dist. restrs. and SS energy: 1.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -2433.799542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.799542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.052294 (E_RNA)
where:
Base-Base interactions energy: -1653.296
where: short stacking energy: -698.568
Base-Backbone interact. energy: -3.957
local terms energy: -777.798812
where:
bonds (distance) C4'-P energy: -144.300
bonds (distance) P-C4' energy: -160.379
flat angles C4'-P-C4' energy: -164.950
flat angles P-C4'-P energy: -106.064
tors. eta vs tors. theta energy: -202.107
Dist. restrs. and SS energy: 1.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -2239.419218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.419218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.916430 (E_RNA)
where:
Base-Base interactions energy: -1530.832
where: short stacking energy: -664.202
Base-Backbone interact. energy: -2.471
local terms energy: -708.613935
where:
bonds (distance) C4'-P energy: -128.244
bonds (distance) P-C4' energy: -127.860
flat angles C4'-P-C4' energy: -158.309
flat angles P-C4'-P energy: -110.241
tors. eta vs tors. theta energy: -183.959
Dist. restrs. and SS energy: 2.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -2146.692375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.692375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.620133 (E_RNA)
where:
Base-Base interactions energy: -1503.998
where: short stacking energy: -651.163
Base-Backbone interact. energy: 5.673
local terms energy: -650.294590
where:
bonds (distance) C4'-P energy: -115.653
bonds (distance) P-C4' energy: -149.395
flat angles C4'-P-C4' energy: -127.056
flat angles P-C4'-P energy: -78.223
tors. eta vs tors. theta energy: -179.968
Dist. restrs. and SS energy: 1.928 (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: 10
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -2028.301253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.301253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.810550 (E_RNA)
where:
Base-Base interactions energy: -1402.115
where: short stacking energy: -591.149
Base-Backbone interact. energy: 2.905
local terms energy: -631.600489
where:
bonds (distance) C4'-P energy: -119.176
bonds (distance) P-C4' energy: -133.506
flat angles C4'-P-C4' energy: -150.355
flat angles P-C4'-P energy: -71.330
tors. eta vs tors. theta energy: -157.233
Dist. restrs. and SS energy: 2.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -1938.865638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.865638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.095884 (E_RNA)
where:
Base-Base interactions energy: -1313.253
where: short stacking energy: -529.073
Base-Backbone interact. energy: 4.949
local terms energy: -632.791049
where:
bonds (distance) C4'-P energy: -131.580
bonds (distance) P-C4' energy: -151.057
flat angles C4'-P-C4' energy: -139.174
flat angles P-C4'-P energy: -95.878
tors. eta vs tors. theta energy: -115.103
Dist. restrs. and SS energy: 2.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -1886.240131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.240131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.455624 (E_RNA)
where:
Base-Base interactions energy: -1295.474
where: short stacking energy: -550.239
Base-Backbone interact. energy: -1.774
local terms energy: -593.208067
where:
bonds (distance) C4'-P energy: -110.754
bonds (distance) P-C4' energy: -119.790
flat angles C4'-P-C4' energy: -133.580
flat angles P-C4'-P energy: -75.818
tors. eta vs tors. theta energy: -153.266
Dist. restrs. and SS energy: 4.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -2965.788760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2965.788760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2966.530010 (E_RNA)
where:
Base-Base interactions energy: -2059.726
where: short stacking energy: -856.747
Base-Backbone interact. energy: 1.304
local terms energy: -908.108019
where:
bonds (distance) C4'-P energy: -174.589
bonds (distance) P-C4' energy: -165.305
flat angles C4'-P-C4' energy: -189.207
flat angles P-C4'-P energy: -125.822
tors. eta vs tors. theta energy: -253.185
Dist. restrs. and SS energy: 0.741 (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: 4
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -2778.653721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.653721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2780.830681 (E_RNA)
where:
Base-Base interactions energy: -1925.689
where: short stacking energy: -795.853
Base-Backbone interact. energy: 6.803
local terms energy: -861.944640
where:
bonds (distance) C4'-P energy: -171.700
bonds (distance) P-C4' energy: -168.829
flat angles C4'-P-C4' energy: -175.871
flat angles P-C4'-P energy: -113.610
tors. eta vs tors. theta energy: -231.935
Dist. restrs. and SS energy: 2.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -2619.900179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.900179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.595055 (E_RNA)
where:
Base-Base interactions energy: -1764.464
where: short stacking energy: -781.441
Base-Backbone interact. energy: -1.869
local terms energy: -855.262010
where:
bonds (distance) C4'-P energy: -167.923
bonds (distance) P-C4' energy: -166.186
flat angles C4'-P-C4' energy: -178.586
flat angles P-C4'-P energy: -114.811
tors. eta vs tors. theta energy: -227.757
Dist. restrs. and SS energy: 1.695 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -2534.872723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.872723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.482854 (E_RNA)
where:
Base-Base interactions energy: -1750.612
where: short stacking energy: -754.641
Base-Backbone interact. energy: 3.999
local terms energy: -789.870202
where:
bonds (distance) C4'-P energy: -131.853
bonds (distance) P-C4' energy: -150.483
flat angles C4'-P-C4' energy: -175.158
flat angles P-C4'-P energy: -114.177
tors. eta vs tors. theta energy: -218.198
Dist. restrs. and SS energy: 1.610 (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: 172
Temperature: 1.100000
Total energy: -2400.924432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.924432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.165843 (E_RNA)
where:
Base-Base interactions energy: -1625.938
where: short stacking energy: -675.273
Base-Backbone interact. energy: 2.063
local terms energy: -779.290179
where:
bonds (distance) C4'-P energy: -144.800
bonds (distance) P-C4' energy: -156.521
flat angles C4'-P-C4' energy: -167.465
flat angles P-C4'-P energy: -104.257
tors. eta vs tors. theta energy: -206.247
Dist. restrs. and SS energy: 2.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -2184.684406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.684406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.684363 (E_RNA)
where:
Base-Base interactions energy: -1482.188
where: short stacking energy: -643.293
Base-Backbone interact. energy: -1.978
local terms energy: -703.518497
where:
bonds (distance) C4'-P energy: -140.686
bonds (distance) P-C4' energy: -141.888
flat angles C4'-P-C4' energy: -152.700
flat angles P-C4'-P energy: -91.021
tors. eta vs tors. theta energy: -177.223
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: 7, replica: 2
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -2091.419973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.419973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.966421 (E_RNA)
where:
Base-Base interactions energy: -1427.227
where: short stacking energy: -593.256
Base-Backbone interact. energy: -1.778
local terms energy: -663.960643
where:
bonds (distance) C4'-P energy: -127.925
bonds (distance) P-C4' energy: -126.447
flat angles C4'-P-C4' energy: -156.942
flat angles P-C4'-P energy: -92.391
tors. eta vs tors. theta energy: -160.255
Dist. restrs. and SS energy: 1.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -1968.522748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.522748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.269879 (E_RNA)
where:
Base-Base interactions energy: -1315.862
where: short stacking energy: -569.176
Base-Backbone interact. energy: -0.353
local terms energy: -655.055028
where:
bonds (distance) C4'-P energy: -131.850
bonds (distance) P-C4' energy: -129.190
flat angles C4'-P-C4' energy: -160.198
flat angles P-C4'-P energy: -80.002
tors. eta vs tors. theta energy: -153.816
Dist. restrs. and SS energy: 2.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -1922.856710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.856710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.990448 (E_RNA)
where:
Base-Base interactions energy: -1334.969
where: short stacking energy: -551.963
Base-Backbone interact. energy: 7.685
local terms energy: -597.706483
where:
bonds (distance) C4'-P energy: -115.464
bonds (distance) P-C4' energy: -129.359
flat angles C4'-P-C4' energy: -131.164
flat angles P-C4'-P energy: -79.804
tors. eta vs tors. theta energy: -141.916
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: 10, replica: 3
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -1839.164136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.164136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.642874 (E_RNA)
where:
Base-Base interactions energy: -1234.721
where: short stacking energy: -523.956
Base-Backbone interact. energy: 0.288
local terms energy: -610.210268
where:
bonds (distance) C4'-P energy: -112.078
bonds (distance) P-C4' energy: -138.573
flat angles C4'-P-C4' energy: -146.052
flat angles P-C4'-P energy: -80.315
tors. eta vs tors. theta energy: -133.192
Dist. restrs. and SS energy: 5.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -2993.012696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2993.012696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2994.191498 (E_RNA)
where:
Base-Base interactions energy: -2075.523
where: short stacking energy: -861.759
Base-Backbone interact. energy: -1.362
local terms energy: -917.306228
where:
bonds (distance) C4'-P energy: -177.520
bonds (distance) P-C4' energy: -162.943
flat angles C4'-P-C4' energy: -198.580
flat angles P-C4'-P energy: -127.107
tors. eta vs tors. theta energy: -251.156
Dist. restrs. and SS energy: 1.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -2735.044078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.044078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.222454 (E_RNA)
where:
Base-Base interactions energy: -1898.050
where: short stacking energy: -810.975
Base-Backbone interact. energy: -2.388
local terms energy: -836.784049
where:
bonds (distance) C4'-P energy: -152.155
bonds (distance) P-C4' energy: -163.277
flat angles C4'-P-C4' energy: -168.831
flat angles P-C4'-P energy: -121.227
tors. eta vs tors. theta energy: -231.294
Dist. restrs. and SS energy: 2.178 (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: 6
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -2640.038279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.038279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.070187 (E_RNA)
where:
Base-Base interactions energy: -1811.901
where: short stacking energy: -771.010
Base-Backbone interact. energy: -0.583
local terms energy: -829.586226
where:
bonds (distance) C4'-P energy: -144.479
bonds (distance) P-C4' energy: -160.394
flat angles C4'-P-C4' energy: -175.718
flat angles P-C4'-P energy: -119.643
tors. eta vs tors. theta energy: -229.352
Dist. restrs. and SS energy: 2.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -2527.668912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.668912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.983969 (E_RNA)
where:
Base-Base interactions energy: -1745.283
where: short stacking energy: -734.157
Base-Backbone interact. energy: 1.206
local terms energy: -784.907248
where:
bonds (distance) C4'-P energy: -129.845
bonds (distance) P-C4' energy: -158.692
flat angles C4'-P-C4' energy: -171.268
flat angles P-C4'-P energy: -108.193
tors. eta vs tors. theta energy: -216.909
Dist. restrs. and SS energy: 1.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -2376.197515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.197515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.522095 (E_RNA)
where:
Base-Base interactions energy: -1611.296
where: short stacking energy: -680.535
Base-Backbone interact. energy: 6.134
local terms energy: -774.359847
where:
bonds (distance) C4'-P energy: -163.085
bonds (distance) P-C4' energy: -155.979
flat angles C4'-P-C4' energy: -167.770
flat angles P-C4'-P energy: -89.753
tors. eta vs tors. theta energy: -197.772
Dist. restrs. and SS energy: 3.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -2194.726129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.726129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.195712 (E_RNA)
where:
Base-Base interactions energy: -1486.052
where: short stacking energy: -661.218
Base-Backbone interact. energy: 2.233
local terms energy: -713.376912
where:
bonds (distance) C4'-P energy: -146.488
bonds (distance) P-C4' energy: -128.431
flat angles C4'-P-C4' energy: -155.365
flat angles P-C4'-P energy: -95.474
tors. eta vs tors. theta energy: -187.618
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: 2
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -2088.113021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.113021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.768059 (E_RNA)
where:
Base-Base interactions energy: -1402.262
where: short stacking energy: -580.266
Base-Backbone interact. energy: 3.972
local terms energy: -692.478278
where:
bonds (distance) C4'-P energy: -148.041
bonds (distance) P-C4' energy: -131.454
flat angles C4'-P-C4' energy: -155.866
flat angles P-C4'-P energy: -108.561
tors. eta vs tors. theta energy: -148.556
Dist. restrs. and SS energy: 2.655 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -2012.717371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.717371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.792377 (E_RNA)
where:
Base-Base interactions energy: -1378.455
where: short stacking energy: -585.189
Base-Backbone interact. energy: -1.063
local terms energy: -635.274297
where:
bonds (distance) C4'-P energy: -125.972
bonds (distance) P-C4' energy: -124.515
flat angles C4'-P-C4' energy: -136.362
flat angles P-C4'-P energy: -101.051
tors. eta vs tors. theta energy: -147.375
Dist. restrs. and SS energy: 2.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -1945.456696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.456696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.809505 (E_RNA)
where:
Base-Base interactions energy: -1309.919
where: short stacking energy: -546.031
Base-Backbone interact. energy: -0.126
local terms energy: -637.764050
where:
bonds (distance) C4'-P energy: -130.437
bonds (distance) P-C4' energy: -138.465
flat angles C4'-P-C4' energy: -156.966
flat angles P-C4'-P energy: -72.173
tors. eta vs tors. theta energy: -139.723
Dist. restrs. and SS energy: 2.353 (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: 3
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -1840.473962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.473962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.906941 (E_RNA)
where:
Base-Base interactions energy: -1234.063
where: short stacking energy: -497.624
Base-Backbone interact. energy: 4.075
local terms energy: -614.918966
where:
bonds (distance) C4'-P energy: -140.214
bonds (distance) P-C4' energy: -127.858
flat angles C4'-P-C4' energy: -137.029
flat angles P-C4'-P energy: -94.791
tors. eta vs tors. theta energy: -115.026
Dist. restrs. and SS energy: 4.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -2917.592503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2917.592503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2918.758683 (E_RNA)
where:
Base-Base interactions energy: -2041.944
where: short stacking energy: -827.132
Base-Backbone interact. energy: -1.452
local terms energy: -875.362918
where:
bonds (distance) C4'-P energy: -165.920
bonds (distance) P-C4' energy: -170.461
flat angles C4'-P-C4' energy: -181.923
flat angles P-C4'-P energy: -126.227
tors. eta vs tors. theta energy: -230.832
Dist. restrs. and SS energy: 1.166 (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: 4
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -2736.064930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.064930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.865458 (E_RNA)
where:
Base-Base interactions energy: -1892.932
where: short stacking energy: -803.393
Base-Backbone interact. energy: -3.631
local terms energy: -841.301884
where:
bonds (distance) C4'-P energy: -149.021
bonds (distance) P-C4' energy: -156.839
flat angles C4'-P-C4' energy: -181.325
flat angles P-C4'-P energy: -123.629
tors. eta vs tors. theta energy: -230.489
Dist. restrs. and SS energy: 1.801 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -2583.153563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.153563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.698062 (E_RNA)
where:
Base-Base interactions energy: -1762.855
where: short stacking energy: -739.170
Base-Backbone interact. energy: -6.006
local terms energy: -815.837421
where:
bonds (distance) C4'-P energy: -148.814
bonds (distance) P-C4' energy: -163.040
flat angles C4'-P-C4' energy: -166.884
flat angles P-C4'-P energy: -122.160
tors. eta vs tors. theta energy: -214.940
Dist. restrs. and SS energy: 1.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -2542.278892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.278892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.643553 (E_RNA)
where:
Base-Base interactions energy: -1752.802
where: short stacking energy: -748.051
Base-Backbone interact. energy: -4.125
local terms energy: -786.716681
where:
bonds (distance) C4'-P energy: -148.353
bonds (distance) P-C4' energy: -153.883
flat angles C4'-P-C4' energy: -167.502
flat angles P-C4'-P energy: -104.969
tors. eta vs tors. theta energy: -212.010
Dist. restrs. and SS energy: 1.365 (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: 7
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -2384.234562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.234562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.137017 (E_RNA)
where:
Base-Base interactions energy: -1643.071
where: short stacking energy: -709.706
Base-Backbone interact. energy: -1.853
local terms energy: -741.212995
where:
bonds (distance) C4'-P energy: -149.754
bonds (distance) P-C4' energy: -130.982
flat angles C4'-P-C4' energy: -159.082
flat angles P-C4'-P energy: -106.955
tors. eta vs tors. theta energy: -194.441
Dist. restrs. and SS energy: 1.902 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -2188.430445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.430445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.366895 (E_RNA)
where:
Base-Base interactions energy: -1477.158
where: short stacking energy: -646.210
Base-Backbone interact. energy: -2.338
local terms energy: -710.871055
where:
bonds (distance) C4'-P energy: -120.563
bonds (distance) P-C4' energy: -147.535
flat angles C4'-P-C4' energy: -148.921
flat angles P-C4'-P energy: -111.453
tors. eta vs tors. theta energy: -182.399
Dist. restrs. and SS energy: 1.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -2077.562895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.562895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.209442 (E_RNA)
where:
Base-Base interactions energy: -1425.867
where: short stacking energy: -597.823
Base-Backbone interact. energy: -2.462
local terms energy: -652.880824
where:
bonds (distance) C4'-P energy: -116.942
bonds (distance) P-C4' energy: -144.263
flat angles C4'-P-C4' energy: -158.102
flat angles P-C4'-P energy: -99.135
tors. eta vs tors. theta energy: -134.439
Dist. restrs. and SS energy: 3.647 (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: 8
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -2038.006009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.006009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.028453 (E_RNA)
where:
Base-Base interactions energy: -1421.340
where: short stacking energy: -621.832
Base-Backbone interact. energy: -2.969
local terms energy: -615.719150
where:
bonds (distance) C4'-P energy: -112.962
bonds (distance) P-C4' energy: -115.644
flat angles C4'-P-C4' energy: -141.918
flat angles P-C4'-P energy: -79.332
tors. eta vs tors. theta energy: -165.863
Dist. restrs. and SS energy: 2.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -1965.066266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.066266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.484016 (E_RNA)
where:
Base-Base interactions energy: -1340.984
where: short stacking energy: -577.032
Base-Backbone interact. energy: -3.044
local terms energy: -623.455341
where:
bonds (distance) C4'-P energy: -132.545
bonds (distance) P-C4' energy: -132.567
flat angles C4'-P-C4' energy: -129.103
flat angles P-C4'-P energy: -83.987
tors. eta vs tors. theta energy: -145.252
Dist. restrs. and SS energy: 2.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -1825.832973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.832973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.160488 (E_RNA)
where:
Base-Base interactions energy: -1248.164
where: short stacking energy: -519.365
Base-Backbone interact. energy: -0.449
local terms energy: -584.547902
where:
bonds (distance) C4'-P energy: -114.323
bonds (distance) P-C4' energy: -116.155
flat angles C4'-P-C4' energy: -135.037
flat angles P-C4'-P energy: -89.321
tors. eta vs tors. theta energy: -129.711
Dist. restrs. and SS energy: 7.328 (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: 9
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -2924.442317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2924.442317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2925.722435 (E_RNA)
where:
Base-Base interactions energy: -2037.796
where: short stacking energy: -812.879
Base-Backbone interact. energy: -1.269
local terms energy: -886.656674
where:
bonds (distance) C4'-P energy: -161.995
bonds (distance) P-C4' energy: -168.669
flat angles C4'-P-C4' energy: -190.614
flat angles P-C4'-P energy: -124.267
tors. eta vs tors. theta energy: -241.113
Dist. restrs. and SS energy: 1.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -2732.692953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.692953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.162134 (E_RNA)
where:
Base-Base interactions energy: -1872.705
where: short stacking energy: -787.791
Base-Backbone interact. energy: -0.998
local terms energy: -861.459390
where:
bonds (distance) C4'-P energy: -155.021
bonds (distance) P-C4' energy: -167.887
flat angles C4'-P-C4' energy: -181.122
flat angles P-C4'-P energy: -122.371
tors. eta vs tors. theta energy: -235.059
Dist. restrs. and SS energy: 2.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -2601.655732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.655732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.248194 (E_RNA)
where:
Base-Base interactions energy: -1768.660
where: short stacking energy: -752.890
Base-Backbone interact. energy: -0.861
local terms energy: -833.727014
where:
bonds (distance) C4'-P energy: -158.975
bonds (distance) P-C4' energy: -157.360
flat angles C4'-P-C4' energy: -170.541
flat angles P-C4'-P energy: -128.034
tors. eta vs tors. theta energy: -218.816
Dist. restrs. and SS energy: 1.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -2572.332429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.332429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.563852 (E_RNA)
where:
Base-Base interactions energy: -1752.854
where: short stacking energy: -771.241
Base-Backbone interact. energy: -6.208
local terms energy: -814.502080
where:
bonds (distance) C4'-P energy: -149.466
bonds (distance) P-C4' energy: -143.810
flat angles C4'-P-C4' energy: -168.896
flat angles P-C4'-P energy: -127.393
tors. eta vs tors. theta energy: -224.936
Dist. restrs. and SS energy: 1.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -2393.093988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.093988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.460393 (E_RNA)
where:
Base-Base interactions energy: -1628.275
where: short stacking energy: -702.276
Base-Backbone interact. energy: -1.163
local terms energy: -766.022664
where:
bonds (distance) C4'-P energy: -135.711
bonds (distance) P-C4' energy: -135.360
flat angles C4'-P-C4' energy: -181.832
flat angles P-C4'-P energy: -109.500
tors. eta vs tors. theta energy: -203.620
Dist. restrs. and SS energy: 2.366 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -2147.911818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.911818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.625719 (E_RNA)
where:
Base-Base interactions energy: -1428.513
where: short stacking energy: -613.522
Base-Backbone interact. energy: 2.256
local terms energy: -723.368850
where:
bonds (distance) C4'-P energy: -152.496
bonds (distance) P-C4' energy: -140.539
flat angles C4'-P-C4' energy: -146.391
flat angles P-C4'-P energy: -109.020
tors. eta vs tors. theta energy: -174.923
Dist. restrs. and SS energy: 1.714 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -2061.350568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.350568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.476218 (E_RNA)
where:
Base-Base interactions energy: -1420.638
where: short stacking energy: -610.456
Base-Backbone interact. energy: 8.228
local terms energy: -654.066256
where:
bonds (distance) C4'-P energy: -125.306
bonds (distance) P-C4' energy: -136.391
flat angles C4'-P-C4' energy: -144.093
flat angles P-C4'-P energy: -82.722
tors. eta vs tors. theta energy: -165.556
Dist. restrs. and SS energy: 5.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -2038.894397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.894397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.087304 (E_RNA)
where:
Base-Base interactions energy: -1345.141
where: short stacking energy: -560.924
Base-Backbone interact. energy: 5.863
local terms energy: -702.809311
where:
bonds (distance) C4'-P energy: -143.771
bonds (distance) P-C4' energy: -157.113
flat angles C4'-P-C4' energy: -138.027
flat angles P-C4'-P energy: -106.054
tors. eta vs tors. theta energy: -157.845
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: 9, replica: 8
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -1936.281800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.281800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.011299 (E_RNA)
where:
Base-Base interactions energy: -1311.336
where: short stacking energy: -550.490
Base-Backbone interact. energy: -2.866
local terms energy: -625.809962
where:
bonds (distance) C4'-P energy: -125.052
bonds (distance) P-C4' energy: -136.182
flat angles C4'-P-C4' energy: -147.614
flat angles P-C4'-P energy: -83.087
tors. eta vs tors. theta energy: -133.875
Dist. restrs. and SS energy: 3.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -1836.333885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.333885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.177285 (E_RNA)
where:
Base-Base interactions energy: -1263.050
where: short stacking energy: -487.912
Base-Backbone interact. energy: 0.637
local terms energy: -575.764965
where:
bonds (distance) C4'-P energy: -130.545
bonds (distance) P-C4' energy: -138.419
flat angles C4'-P-C4' energy: -134.574
flat angles P-C4'-P energy: -70.995
tors. eta vs tors. theta energy: -101.232
Dist. restrs. and SS energy: 1.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -2935.433430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2935.433430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2937.630738 (E_RNA)
where:
Base-Base interactions energy: -2045.019
where: short stacking energy: -838.510
Base-Backbone interact. energy: -1.468
local terms energy: -891.142889
where:
bonds (distance) C4'-P energy: -173.613
bonds (distance) P-C4' energy: -168.566
flat angles C4'-P-C4' energy: -179.551
flat angles P-C4'-P energy: -129.996
tors. eta vs tors. theta energy: -239.416
Dist. restrs. and SS energy: 2.197 (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: 4
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -2750.738965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2750.738965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.189940 (E_RNA)
where:
Base-Base interactions energy: -1933.227
where: short stacking energy: -804.066
Base-Backbone interact. energy: -4.701
local terms energy: -815.261919
where:
bonds (distance) C4'-P energy: -157.177
bonds (distance) P-C4' energy: -156.006
flat angles C4'-P-C4' energy: -163.480
flat angles P-C4'-P energy: -122.116
tors. eta vs tors. theta energy: -216.483
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: 3, replica: 6
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -2617.345518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.345518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.547466 (E_RNA)
where:
Base-Base interactions energy: -1784.887
where: short stacking energy: -785.936
Base-Backbone interact. energy: -3.678
local terms energy: -830.982476
where:
bonds (distance) C4'-P energy: -148.138
bonds (distance) P-C4' energy: -156.292
flat angles C4'-P-C4' energy: -180.680
flat angles P-C4'-P energy: -120.988
tors. eta vs tors. theta energy: -224.885
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: 4, replica: 5
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -2545.005748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.005748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.116955 (E_RNA)
where:
Base-Base interactions energy: -1734.210
where: short stacking energy: -761.228
Base-Backbone interact. energy: 1.049
local terms energy: -813.956457
where:
bonds (distance) C4'-P energy: -137.340
bonds (distance) P-C4' energy: -161.860
flat angles C4'-P-C4' energy: -163.733
flat angles P-C4'-P energy: -127.145
tors. eta vs tors. theta energy: -223.879
Dist. restrs. and SS energy: 2.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -2447.836178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.836178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.683642 (E_RNA)
where:
Base-Base interactions energy: -1693.221
where: short stacking energy: -723.870
Base-Backbone interact. energy: -5.098
local terms energy: -751.364425
where:
bonds (distance) C4'-P energy: -134.800
bonds (distance) P-C4' energy: -137.368
flat angles C4'-P-C4' energy: -181.610
flat angles P-C4'-P energy: -92.873
tors. eta vs tors. theta energy: -204.713
Dist. restrs. and SS energy: 1.847 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -2181.556619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.556619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.214960 (E_RNA)
where:
Base-Base interactions energy: -1455.804
where: short stacking energy: -623.209
Base-Backbone interact. energy: 0.243
local terms energy: -727.653884
where:
bonds (distance) C4'-P energy: -126.228
bonds (distance) P-C4' energy: -131.472
flat angles C4'-P-C4' energy: -165.895
flat angles P-C4'-P energy: -124.113
tors. eta vs tors. theta energy: -179.946
Dist. restrs. and SS energy: 1.658 (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: 10
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -2115.708736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.708736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.119885 (E_RNA)
where:
Base-Base interactions energy: -1421.749
where: short stacking energy: -638.343
Base-Backbone interact. energy: -0.500
local terms energy: -696.870937
where:
bonds (distance) C4'-P energy: -133.896
bonds (distance) P-C4' energy: -147.609
flat angles C4'-P-C4' energy: -149.103
flat angles P-C4'-P energy: -90.327
tors. eta vs tors. theta energy: -175.937
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: 8, replica: 2
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -2017.451131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.451131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.020133 (E_RNA)
where:
Base-Base interactions energy: -1376.597
where: short stacking energy: -566.101
Base-Backbone interact. energy: 4.108
local terms energy: -647.530573
where:
bonds (distance) C4'-P energy: -147.911
bonds (distance) P-C4' energy: -134.675
flat angles C4'-P-C4' energy: -143.041
flat angles P-C4'-P energy: -90.353
tors. eta vs tors. theta energy: -131.549
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: 9, replica: 8
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -1954.545661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.545661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.683380 (E_RNA)
where:
Base-Base interactions energy: -1347.207
where: short stacking energy: -578.035
Base-Backbone interact. energy: 1.275
local terms energy: -611.751983
where:
bonds (distance) C4'-P energy: -121.231
bonds (distance) P-C4' energy: -123.981
flat angles C4'-P-C4' energy: -133.363
flat angles P-C4'-P energy: -81.442
tors. eta vs tors. theta energy: -151.734
Dist. restrs. and SS energy: 3.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -1937.343126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.343126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.997376 (E_RNA)
where:
Base-Base interactions energy: -1291.970
where: short stacking energy: -520.630
Base-Backbone interact. energy: 3.345
local terms energy: -651.372329
where:
bonds (distance) C4'-P energy: -136.204
bonds (distance) P-C4' energy: -145.076
flat angles C4'-P-C4' energy: -127.657
flat angles P-C4'-P energy: -96.825
tors. eta vs tors. theta energy: -145.611
Dist. restrs. and SS energy: 2.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -2933.669609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2933.669609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2936.706619 (E_RNA)
where:
Base-Base interactions energy: -2057.000
where: short stacking energy: -829.575
Base-Backbone interact. energy: -1.176
local terms energy: -878.530059
where:
bonds (distance) C4'-P energy: -157.927
bonds (distance) P-C4' energy: -167.205
flat angles C4'-P-C4' energy: -191.909
flat angles P-C4'-P energy: -115.404
tors. eta vs tors. theta energy: -246.086
Dist. restrs. and SS energy: 3.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -2732.586496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.586496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.697825 (E_RNA)
where:
Base-Base interactions energy: -1907.741
where: short stacking energy: -820.696
Base-Backbone interact. energy: 7.137
local terms energy: -834.093197
where:
bonds (distance) C4'-P energy: -128.996
bonds (distance) P-C4' energy: -170.225
flat angles C4'-P-C4' energy: -183.475
flat angles P-C4'-P energy: -119.072
tors. eta vs tors. theta energy: -232.325
Dist. restrs. and SS energy: 2.111 (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: 6
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -2592.357891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.357891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.397431 (E_RNA)
where:
Base-Base interactions energy: -1767.363
where: short stacking energy: -755.684
Base-Backbone interact. energy: 0.822
local terms energy: -827.856052
where:
bonds (distance) C4'-P energy: -150.628
bonds (distance) P-C4' energy: -156.364
flat angles C4'-P-C4' energy: -172.543
flat angles P-C4'-P energy: -120.368
tors. eta vs tors. theta energy: -227.952
Dist. restrs. and SS energy: 2.040 (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: 5
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -2571.965437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.965437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.104427 (E_RNA)
where:
Base-Base interactions energy: -1775.869
where: short stacking energy: -744.042
Base-Backbone interact. energy: -2.735
local terms energy: -796.500705
where:
bonds (distance) C4'-P energy: -144.731
bonds (distance) P-C4' energy: -138.812
flat angles C4'-P-C4' energy: -182.038
flat angles P-C4'-P energy: -111.668
tors. eta vs tors. theta energy: -219.252
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: 5, replica: 7
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -2449.997378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.997378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.903495 (E_RNA)
where:
Base-Base interactions energy: -1682.344
where: short stacking energy: -711.767
Base-Backbone interact. energy: -1.193
local terms energy: -768.366233
where:
bonds (distance) C4'-P energy: -135.738
bonds (distance) P-C4' energy: -146.261
flat angles C4'-P-C4' energy: -173.445
flat angles P-C4'-P energy: -104.877
tors. eta vs tors. theta energy: -208.046
Dist. restrs. and SS energy: 1.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -2159.914955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.914955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.780747 (E_RNA)
where:
Base-Base interactions energy: -1442.758
where: short stacking energy: -647.046
Base-Backbone interact. energy: 0.381
local terms energy: -720.403044
where:
bonds (distance) C4'-P energy: -149.100
bonds (distance) P-C4' energy: -130.298
flat angles C4'-P-C4' energy: -164.818
flat angles P-C4'-P energy: -102.496
tors. eta vs tors. theta energy: -173.691
Dist. restrs. and SS energy: 2.866 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -2097.396308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.396308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.613132 (E_RNA)
where:
Base-Base interactions energy: -1407.866
where: short stacking energy: -586.899
Base-Backbone interact. energy: -1.402
local terms energy: -690.345086
where:
bonds (distance) C4'-P energy: -129.874
bonds (distance) P-C4' energy: -126.733
flat angles C4'-P-C4' energy: -165.548
flat angles P-C4'-P energy: -98.362
tors. eta vs tors. theta energy: -169.828
Dist. restrs. and SS energy: 2.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -2066.167454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.167454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.485713 (E_RNA)
where:
Base-Base interactions energy: -1427.806
where: short stacking energy: -591.759
Base-Backbone interact. energy: 0.987
local terms energy: -642.666719
where:
bonds (distance) C4'-P energy: -93.509
bonds (distance) P-C4' energy: -134.497
flat angles C4'-P-C4' energy: -154.104
flat angles P-C4'-P energy: -97.358
tors. eta vs tors. theta energy: -163.199
Dist. restrs. and SS energy: 3.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -1957.932108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.932108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.227622 (E_RNA)
where:
Base-Base interactions energy: -1334.670
where: short stacking energy: -572.377
Base-Backbone interact. energy: -1.468
local terms energy: -624.089370
where:
bonds (distance) C4'-P energy: -107.941
bonds (distance) P-C4' energy: -116.529
flat angles C4'-P-C4' energy: -148.335
flat angles P-C4'-P energy: -87.249
tors. eta vs tors. theta energy: -164.035
Dist. restrs. and SS energy: 2.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -1860.045914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.045914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.980426 (E_RNA)
where:
Base-Base interactions energy: -1274.325
where: short stacking energy: -554.696
Base-Backbone interact. energy: -1.139
local terms energy: -587.516562
where:
bonds (distance) C4'-P energy: -116.256
bonds (distance) P-C4' energy: -124.324
flat angles C4'-P-C4' energy: -127.055
flat angles P-C4'-P energy: -78.681
tors. eta vs tors. theta energy: -141.200
Dist. restrs. and SS energy: 2.935 (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: 9
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -2934.560527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2934.560527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2937.440020 (E_RNA)
where:
Base-Base interactions energy: -2045.625
where: short stacking energy: -839.606
Base-Backbone interact. energy: -1.014
local terms energy: -890.801663
where:
bonds (distance) C4'-P energy: -159.117
bonds (distance) P-C4' energy: -161.670
flat angles C4'-P-C4' energy: -185.028
flat angles P-C4'-P energy: -134.458
tors. eta vs tors. theta energy: -250.529
Dist. restrs. and SS energy: 2.879 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -2746.435394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.435394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.806365 (E_RNA)
where:
Base-Base interactions energy: -1898.004
where: short stacking energy: -802.895
Base-Backbone interact. energy: -0.327
local terms energy: -849.475811
where:
bonds (distance) C4'-P energy: -152.628
bonds (distance) P-C4' energy: -159.778
flat angles C4'-P-C4' energy: -179.494
flat angles P-C4'-P energy: -133.501
tors. eta vs tors. theta energy: -224.075
Dist. restrs. and SS energy: 1.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -2613.638652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.638652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.363738 (E_RNA)
where:
Base-Base interactions energy: -1807.313
where: short stacking energy: -768.038
Base-Backbone interact. energy: -2.368
local terms energy: -804.682927
where:
bonds (distance) C4'-P energy: -136.716
bonds (distance) P-C4' energy: -144.026
flat angles C4'-P-C4' energy: -179.615
flat angles P-C4'-P energy: -116.873
tors. eta vs tors. theta energy: -227.452
Dist. restrs. and SS energy: 0.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -2555.761359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.761359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.570988 (E_RNA)
where:
Base-Base interactions energy: -1746.840
where: short stacking energy: -756.077
Base-Backbone interact. energy: -4.098
local terms energy: -807.632422
where:
bonds (distance) C4'-P energy: -139.057
bonds (distance) P-C4' energy: -162.129
flat angles C4'-P-C4' energy: -161.633
flat angles P-C4'-P energy: -112.057
tors. eta vs tors. theta energy: -232.756
Dist. restrs. and SS energy: 2.810 (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: 7
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -2401.367180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.367180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.172710 (E_RNA)
where:
Base-Base interactions energy: -1650.620
where: short stacking energy: -684.086
Base-Backbone interact. energy: 0.224
local terms energy: -752.776476
where:
bonds (distance) C4'-P energy: -163.908
bonds (distance) P-C4' energy: -127.910
flat angles C4'-P-C4' energy: -154.322
flat angles P-C4'-P energy: -115.684
tors. eta vs tors. theta energy: -190.951
Dist. restrs. and SS energy: 1.806 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -2157.576932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.576932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.528903 (E_RNA)
where:
Base-Base interactions energy: -1429.316
where: short stacking energy: -639.654
Base-Backbone interact. energy: 1.155
local terms energy: -733.367716
where:
bonds (distance) C4'-P energy: -152.145
bonds (distance) P-C4' energy: -129.714
flat angles C4'-P-C4' energy: -162.114
flat angles P-C4'-P energy: -114.975
tors. eta vs tors. theta energy: -174.420
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: 7, replica: 10
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -2087.999089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.999089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.715880 (E_RNA)
where:
Base-Base interactions energy: -1417.083
where: short stacking energy: -627.729
Base-Backbone interact. energy: -1.237
local terms energy: -673.396086
where:
bonds (distance) C4'-P energy: -128.636
bonds (distance) P-C4' energy: -126.914
flat angles C4'-P-C4' energy: -148.655
flat angles P-C4'-P energy: -100.453
tors. eta vs tors. theta energy: -168.739
Dist. restrs. and SS energy: 3.717 (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: 2
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -2036.559273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.559273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.866500 (E_RNA)
where:
Base-Base interactions energy: -1408.991
where: short stacking energy: -611.888
Base-Backbone interact. energy: 5.274
local terms energy: -635.149785
where:
bonds (distance) C4'-P energy: -124.984
bonds (distance) P-C4' energy: -142.079
flat angles C4'-P-C4' energy: -143.802
flat angles P-C4'-P energy: -67.347
tors. eta vs tors. theta energy: -156.937
Dist. restrs. and SS energy: 2.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -1960.513189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.513189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.667937 (E_RNA)
where:
Base-Base interactions energy: -1331.138
where: short stacking energy: -547.605
Base-Backbone interact. energy: 2.187
local terms energy: -636.716889
where:
bonds (distance) C4'-P energy: -121.704
bonds (distance) P-C4' energy: -143.489
flat angles C4'-P-C4' energy: -150.740
flat angles P-C4'-P energy: -86.762
tors. eta vs tors. theta energy: -134.022
Dist. restrs. and SS energy: 5.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -1868.363334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.363334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.504625 (E_RNA)
where:
Base-Base interactions energy: -1239.760
where: short stacking energy: -512.717
Base-Backbone interact. energy: -4.427
local terms energy: -628.317873
where:
bonds (distance) C4'-P energy: -123.514
bonds (distance) P-C4' energy: -148.895
flat angles C4'-P-C4' energy: -130.501
flat angles P-C4'-P energy: -80.691
tors. eta vs tors. theta energy: -144.716
Dist. restrs. and SS energy: 4.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -3012.213537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3012.213537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3014.284878 (E_RNA)
where:
Base-Base interactions energy: -2113.987
where: short stacking energy: -856.271
Base-Backbone interact. energy: 0.238
local terms energy: -900.535457
where:
bonds (distance) C4'-P energy: -163.371
bonds (distance) P-C4' energy: -173.874
flat angles C4'-P-C4' energy: -202.159
flat angles P-C4'-P energy: -119.594
tors. eta vs tors. theta energy: -241.537
Dist. restrs. and SS energy: 2.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -2741.864519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.864519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.714827 (E_RNA)
where:
Base-Base interactions energy: -1909.218
where: short stacking energy: -777.943
Base-Backbone interact. energy: 0.839
local terms energy: -835.336096
where:
bonds (distance) C4'-P energy: -144.253
bonds (distance) P-C4' energy: -151.611
flat angles C4'-P-C4' energy: -177.598
flat angles P-C4'-P energy: -136.113
tors. eta vs tors. theta energy: -225.760
Dist. restrs. and SS energy: 1.850 (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: 5
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -2601.763180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.763180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.807395 (E_RNA)
where:
Base-Base interactions energy: -1769.616
where: short stacking energy: -739.536
Base-Backbone interact. energy: -2.547
local terms energy: -831.644654
where:
bonds (distance) C4'-P energy: -153.756
bonds (distance) P-C4' energy: -148.918
flat angles C4'-P-C4' energy: -179.328
flat angles P-C4'-P energy: -120.521
tors. eta vs tors. theta energy: -229.121
Dist. restrs. and SS energy: 2.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -2494.600723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.600723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.987758 (E_RNA)
where:
Base-Base interactions energy: -1724.553
where: short stacking energy: -720.769
Base-Backbone interact. energy: -0.391
local terms energy: -771.043604
where:
bonds (distance) C4'-P energy: -156.140
bonds (distance) P-C4' energy: -129.401
flat angles C4'-P-C4' energy: -159.150
flat angles P-C4'-P energy: -107.656
tors. eta vs tors. theta energy: -218.697
Dist. restrs. and SS energy: 1.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -2419.421635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.421635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.069957 (E_RNA)
where:
Base-Base interactions energy: -1627.021
where: short stacking energy: -663.440
Base-Backbone interact. energy: -4.933
local terms energy: -790.116082
where:
bonds (distance) C4'-P energy: -150.551
bonds (distance) P-C4' energy: -160.421
flat angles C4'-P-C4' energy: -173.580
flat angles P-C4'-P energy: -112.528
tors. eta vs tors. theta energy: -193.036
Dist. restrs. and SS energy: 2.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -2208.109586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.109586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.656936 (E_RNA)
where:
Base-Base interactions energy: -1463.152
where: short stacking energy: -615.074
Base-Backbone interact. energy: -2.687
local terms energy: -743.817240
where:
bonds (distance) C4'-P energy: -148.825
bonds (distance) P-C4' energy: -139.901
flat angles C4'-P-C4' energy: -157.433
flat angles P-C4'-P energy: -115.248
tors. eta vs tors. theta energy: -182.410
Dist. restrs. and SS energy: 1.547 (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: 1
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -2109.375807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.375807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.860674 (E_RNA)
where:
Base-Base interactions energy: -1415.787
where: short stacking energy: -596.450
Base-Backbone interact. energy: 3.668
local terms energy: -699.741710
where:
bonds (distance) C4'-P energy: -145.465
bonds (distance) P-C4' energy: -148.160
flat angles C4'-P-C4' energy: -154.251
flat angles P-C4'-P energy: -95.142
tors. eta vs tors. theta energy: -156.723
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: 8, replica: 2
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -2000.224075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.224075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.340764 (E_RNA)
where:
Base-Base interactions energy: -1368.278
where: short stacking energy: -567.357
Base-Backbone interact. energy: 1.714
local terms energy: -635.776250
where:
bonds (distance) C4'-P energy: -117.876
bonds (distance) P-C4' energy: -137.065
flat angles C4'-P-C4' energy: -153.972
flat angles P-C4'-P energy: -80.310
tors. eta vs tors. theta energy: -146.554
Dist. restrs. and SS energy: 2.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -1970.789981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.789981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.756178 (E_RNA)
where:
Base-Base interactions energy: -1340.656
where: short stacking energy: -551.035
Base-Backbone interact. energy: 0.173
local terms energy: -633.273062
where:
bonds (distance) C4'-P energy: -132.992
bonds (distance) P-C4' energy: -123.482
flat angles C4'-P-C4' energy: -150.781
flat angles P-C4'-P energy: -84.084
tors. eta vs tors. theta energy: -141.934
Dist. restrs. and SS energy: 2.966 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -1836.812149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.812149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.781501 (E_RNA)
where:
Base-Base interactions energy: -1278.967
where: short stacking energy: -514.930
Base-Backbone interact. energy: -2.932
local terms energy: -557.883063
where:
bonds (distance) C4'-P energy: -107.423
bonds (distance) P-C4' energy: -125.651
flat angles C4'-P-C4' energy: -124.675
flat angles P-C4'-P energy: -80.177
tors. eta vs tors. theta energy: -119.957
Dist. restrs. and SS energy: 2.969 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -2945.611239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2945.611239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2948.025601 (E_RNA)
where:
Base-Base interactions energy: -2066.055
where: short stacking energy: -848.538
Base-Backbone interact. energy: -1.341
local terms energy: -880.629995
where:
bonds (distance) C4'-P energy: -163.017
bonds (distance) P-C4' energy: -157.827
flat angles C4'-P-C4' energy: -171.466
flat angles P-C4'-P energy: -139.685
tors. eta vs tors. theta energy: -248.635
Dist. restrs. and SS energy: 2.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -2744.181197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2744.181197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.162623 (E_RNA)
where:
Base-Base interactions energy: -1897.183
where: short stacking energy: -784.047
Base-Backbone interact. energy: -6.362
local terms energy: -842.617622
where:
bonds (distance) C4'-P energy: -150.127
bonds (distance) P-C4' energy: -159.331
flat angles C4'-P-C4' energy: -184.367
flat angles P-C4'-P energy: -117.635
tors. eta vs tors. theta energy: -231.158
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: 3, replica: 5
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -2670.199407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.199407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.965481 (E_RNA)
where:
Base-Base interactions energy: -1836.382
where: short stacking energy: -813.568
Base-Backbone interact. energy: -2.640
local terms energy: -831.943883
where:
bonds (distance) C4'-P energy: -121.732
bonds (distance) P-C4' energy: -146.509
flat angles C4'-P-C4' energy: -196.046
flat angles P-C4'-P energy: -112.305
tors. eta vs tors. theta energy: -255.352
Dist. restrs. and SS energy: 0.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -2497.364492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.364492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.895047 (E_RNA)
where:
Base-Base interactions energy: -1744.917
where: short stacking energy: -780.400
Base-Backbone interact. energy: 1.892
local terms energy: -756.870429
where:
bonds (distance) C4'-P energy: -135.541
bonds (distance) P-C4' energy: -144.057
flat angles C4'-P-C4' energy: -170.826
flat angles P-C4'-P energy: -94.928
tors. eta vs tors. theta energy: -211.518
Dist. restrs. and SS energy: 2.531 (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: 7
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -2423.131392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.131392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.676461 (E_RNA)
where:
Base-Base interactions energy: -1669.646
where: short stacking energy: -704.723
Base-Backbone interact. energy: -0.001
local terms energy: -757.029751
where:
bonds (distance) C4'-P energy: -142.420
bonds (distance) P-C4' energy: -150.077
flat angles C4'-P-C4' energy: -164.193
flat angles P-C4'-P energy: -97.185
tors. eta vs tors. theta energy: -203.155
Dist. restrs. and SS energy: 3.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -2177.695442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.695442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.166634 (E_RNA)
where:
Base-Base interactions energy: -1489.232
where: short stacking energy: -652.120
Base-Backbone interact. energy: 0.482
local terms energy: -692.416841
where:
bonds (distance) C4'-P energy: -102.060
bonds (distance) P-C4' energy: -125.732
flat angles C4'-P-C4' energy: -170.025
flat angles P-C4'-P energy: -106.157
tors. eta vs tors. theta energy: -188.443
Dist. restrs. and SS energy: 3.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -2104.100266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.100266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.655444 (E_RNA)
where:
Base-Base interactions energy: -1443.711
where: short stacking energy: -613.296
Base-Backbone interact. energy: -2.650
local terms energy: -660.295024
where:
bonds (distance) C4'-P energy: -136.751
bonds (distance) P-C4' energy: -131.039
flat angles C4'-P-C4' energy: -150.827
flat angles P-C4'-P energy: -88.800
tors. eta vs tors. theta energy: -152.877
Dist. restrs. and SS energy: 2.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -2015.573962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.573962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.718486 (E_RNA)
where:
Base-Base interactions energy: -1348.690
where: short stacking energy: -582.920
Base-Backbone interact. energy: -3.497
local terms energy: -666.530802
where:
bonds (distance) C4'-P energy: -130.269
bonds (distance) P-C4' energy: -142.212
flat angles C4'-P-C4' energy: -153.491
flat angles P-C4'-P energy: -76.877
tors. eta vs tors. theta energy: -163.682
Dist. restrs. and SS energy: 3.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -1954.254645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.254645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.341931 (E_RNA)
where:
Base-Base interactions energy: -1290.407
where: short stacking energy: -546.078
Base-Backbone interact. energy: -2.505
local terms energy: -665.429955
where:
bonds (distance) C4'-P energy: -136.331
bonds (distance) P-C4' energy: -153.176
flat angles C4'-P-C4' energy: -132.869
flat angles P-C4'-P energy: -95.172
tors. eta vs tors. theta energy: -147.882
Dist. restrs. and SS energy: 4.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -1902.725506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.725506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.486265 (E_RNA)
where:
Base-Base interactions energy: -1283.019
where: short stacking energy: -549.176
Base-Backbone interact. energy: -1.594
local terms energy: -620.873006
where:
bonds (distance) C4'-P energy: -147.752
bonds (distance) P-C4' energy: -130.429
flat angles C4'-P-C4' energy: -140.249
flat angles P-C4'-P energy: -69.311
tors. eta vs tors. theta energy: -133.131
Dist. restrs. and SS energy: 2.761 (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: 9
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -2963.885187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2963.885187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2966.785477 (E_RNA)
where:
Base-Base interactions energy: -2120.549
where: short stacking energy: -856.320
Base-Backbone interact. energy: -1.640
local terms energy: -844.596898
where:
bonds (distance) C4'-P energy: -147.991
bonds (distance) P-C4' energy: -158.213
flat angles C4'-P-C4' energy: -169.078
flat angles P-C4'-P energy: -120.349
tors. eta vs tors. theta energy: -248.965
Dist. restrs. and SS energy: 2.900 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -2708.920242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.920242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.593035 (E_RNA)
where:
Base-Base interactions energy: -1889.531
where: short stacking energy: -799.412
Base-Backbone interact. energy: -3.072
local terms energy: -817.989594
where:
bonds (distance) C4'-P energy: -151.025
bonds (distance) P-C4' energy: -136.423
flat angles C4'-P-C4' energy: -177.745
flat angles P-C4'-P energy: -120.259
tors. eta vs tors. theta energy: -232.538
Dist. restrs. and SS energy: 1.673 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -2613.999266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.999266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.859113 (E_RNA)
where:
Base-Base interactions energy: -1783.486
where: short stacking energy: -755.603
Base-Backbone interact. energy: -3.479
local terms energy: -827.894186
where:
bonds (distance) C4'-P energy: -156.063
bonds (distance) P-C4' energy: -163.126
flat angles C4'-P-C4' energy: -174.931
flat angles P-C4'-P energy: -107.837
tors. eta vs tors. theta energy: -225.938
Dist. restrs. and SS energy: 0.860 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -2507.684099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.684099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.199243 (E_RNA)
where:
Base-Base interactions energy: -1707.838
where: short stacking energy: -734.965
Base-Backbone interact. energy: -1.220
local terms energy: -800.141373
where:
bonds (distance) C4'-P energy: -135.278
bonds (distance) P-C4' energy: -130.882
flat angles C4'-P-C4' energy: -179.319
flat angles P-C4'-P energy: -131.328
tors. eta vs tors. theta energy: -223.334
Dist. restrs. and SS energy: 1.515 (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: 7
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -2462.092385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.092385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.372079 (E_RNA)
where:
Base-Base interactions energy: -1695.479
where: short stacking energy: -719.226
Base-Backbone interact. energy: -1.699
local terms energy: -768.194055
where:
bonds (distance) C4'-P energy: -153.911
bonds (distance) P-C4' energy: -129.772
flat angles C4'-P-C4' energy: -165.873
flat angles P-C4'-P energy: -105.026
tors. eta vs tors. theta energy: -213.612
Dist. restrs. and SS energy: 3.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -2159.163923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.163923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.137129 (E_RNA)
where:
Base-Base interactions energy: -1456.382
where: short stacking energy: -614.616
Base-Backbone interact. energy: 1.064
local terms energy: -705.819112
where:
bonds (distance) C4'-P energy: -145.822
bonds (distance) P-C4' energy: -138.923
flat angles C4'-P-C4' energy: -160.998
flat angles P-C4'-P energy: -100.466
tors. eta vs tors. theta energy: -159.609
Dist. restrs. and SS energy: 1.973 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -2097.153409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.153409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.988928 (E_RNA)
where:
Base-Base interactions energy: -1387.057
where: short stacking energy: -607.118
Base-Backbone interact. energy: 0.796
local terms energy: -713.727993
where:
bonds (distance) C4'-P energy: -124.725
bonds (distance) P-C4' energy: -153.571
flat angles C4'-P-C4' energy: -165.998
flat angles P-C4'-P energy: -94.536
tors. eta vs tors. theta energy: -174.898
Dist. restrs. and SS energy: 2.836 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -2002.859453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.859453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.658288 (E_RNA)
where:
Base-Base interactions energy: -1366.336
where: short stacking energy: -595.294
Base-Backbone interact. energy: -2.211
local terms energy: -637.111174
where:
bonds (distance) C4'-P energy: -117.777
bonds (distance) P-C4' energy: -139.073
flat angles C4'-P-C4' energy: -132.071
flat angles P-C4'-P energy: -87.464
tors. eta vs tors. theta energy: -160.727
Dist. restrs. and SS energy: 2.799 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -1949.902901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.902901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.270607 (E_RNA)
where:
Base-Base interactions energy: -1323.578
where: short stacking energy: -540.264
Base-Backbone interact. energy: -0.893
local terms energy: -628.799212
where:
bonds (distance) C4'-P energy: -115.681
bonds (distance) P-C4' energy: -154.723
flat angles C4'-P-C4' energy: -130.664
flat angles P-C4'-P energy: -86.015
tors. eta vs tors. theta energy: -141.716
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: 10, replica: 3
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -1848.324168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.324168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.778523 (E_RNA)
where:
Base-Base interactions energy: -1257.371
where: short stacking energy: -549.054
Base-Backbone interact. energy: 5.309
local terms energy: -605.716379
where:
bonds (distance) C4'-P energy: -117.370
bonds (distance) P-C4' energy: -135.774
flat angles C4'-P-C4' energy: -142.725
flat angles P-C4'-P energy: -74.230
tors. eta vs tors. theta energy: -135.618
Dist. restrs. and SS energy: 9.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -2951.502501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2951.502501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2953.864749 (E_RNA)
where:
Base-Base interactions energy: -2084.922
where: short stacking energy: -854.442
Base-Backbone interact. energy: -0.437
local terms energy: -868.504938
where:
bonds (distance) C4'-P energy: -151.333
bonds (distance) P-C4' energy: -164.559
flat angles C4'-P-C4' energy: -187.713
flat angles P-C4'-P energy: -121.559
tors. eta vs tors. theta energy: -243.341
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: 2, replica: 4
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -2742.669423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.669423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.964984 (E_RNA)
where:
Base-Base interactions energy: -1905.769
where: short stacking energy: -803.101
Base-Backbone interact. energy: -1.461
local terms energy: -836.734475
where:
bonds (distance) C4'-P energy: -150.832
bonds (distance) P-C4' energy: -159.438
flat angles C4'-P-C4' energy: -188.576
flat angles P-C4'-P energy: -117.715
tors. eta vs tors. theta energy: -220.174
Dist. restrs. and SS energy: 1.296 (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: 5
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -2616.530360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.530360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.762969 (E_RNA)
where:
Base-Base interactions energy: -1802.761
where: short stacking energy: -769.822
Base-Backbone interact. energy: -1.903
local terms energy: -813.099061
where:
bonds (distance) C4'-P energy: -155.278
bonds (distance) P-C4' energy: -139.072
flat angles C4'-P-C4' energy: -178.806
flat angles P-C4'-P energy: -123.593
tors. eta vs tors. theta energy: -216.350
Dist. restrs. and SS energy: 1.233 (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: 6
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -2503.278795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.278795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.674700 (E_RNA)
where:
Base-Base interactions energy: -1697.276
where: short stacking energy: -729.874
Base-Backbone interact. energy: -0.317
local terms energy: -807.081601
where:
bonds (distance) C4'-P energy: -145.468
bonds (distance) P-C4' energy: -149.730
flat angles C4'-P-C4' energy: -181.766
flat angles P-C4'-P energy: -123.368
tors. eta vs tors. theta energy: -206.750
Dist. restrs. and SS energy: 1.396 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -2399.245267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.245267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.282766 (E_RNA)
where:
Base-Base interactions energy: -1650.730
where: short stacking energy: -675.394
Base-Backbone interact. energy: 0.854
local terms energy: -750.406523
where:
bonds (distance) C4'-P energy: -143.950
bonds (distance) P-C4' energy: -153.402
flat angles C4'-P-C4' energy: -158.709
flat angles P-C4'-P energy: -98.986
tors. eta vs tors. theta energy: -195.360
Dist. restrs. and SS energy: 1.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -2179.866046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.866046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.456662 (E_RNA)
where:
Base-Base interactions energy: -1456.969
where: short stacking energy: -624.938
Base-Backbone interact. energy: -3.242
local terms energy: -722.245639
where:
bonds (distance) C4'-P energy: -127.372
bonds (distance) P-C4' energy: -153.787
flat angles C4'-P-C4' energy: -160.530
flat angles P-C4'-P energy: -112.365
tors. eta vs tors. theta energy: -168.192
Dist. restrs. and SS energy: 2.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -2072.845069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.845069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.219103 (E_RNA)
where:
Base-Base interactions energy: -1402.898
where: short stacking energy: -583.487
Base-Backbone interact. energy: -0.327
local terms energy: -671.994607
where:
bonds (distance) C4'-P energy: -130.315
bonds (distance) P-C4' energy: -130.631
flat angles C4'-P-C4' energy: -159.246
flat angles P-C4'-P energy: -92.991
tors. eta vs tors. theta energy: -158.811
Dist. restrs. and SS energy: 2.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -2000.126188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.126188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.600901 (E_RNA)
where:
Base-Base interactions energy: -1359.152
where: short stacking energy: -580.123
Base-Backbone interact. energy: 0.788
local terms energy: -643.237481
where:
bonds (distance) C4'-P energy: -125.321
bonds (distance) P-C4' energy: -128.153
flat angles C4'-P-C4' energy: -151.777
flat angles P-C4'-P energy: -99.464
tors. eta vs tors. theta energy: -138.524
Dist. restrs. and SS energy: 1.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -1976.012246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.012246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.047164 (E_RNA)
where:
Base-Base interactions energy: -1330.001
where: short stacking energy: -570.144
Base-Backbone interact. energy: -1.191
local terms energy: -648.855319
where:
bonds (distance) C4'-P energy: -122.561
bonds (distance) P-C4' energy: -131.220
flat angles C4'-P-C4' energy: -134.751
flat angles P-C4'-P energy: -90.947
tors. eta vs tors. theta energy: -169.376
Dist. restrs. and SS energy: 4.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -1817.164522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.164522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.604832 (E_RNA)
where:
Base-Base interactions energy: -1250.078
where: short stacking energy: -513.544
Base-Backbone interact. energy: 0.502
local terms energy: -572.028854
where:
bonds (distance) C4'-P energy: -131.115
bonds (distance) P-C4' energy: -112.448
flat angles C4'-P-C4' energy: -129.037
flat angles P-C4'-P energy: -72.689
tors. eta vs tors. theta energy: -126.739
Dist. restrs. and SS energy: 4.440 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -2958.432790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2958.432790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2960.938905 (E_RNA)
where:
Base-Base interactions energy: -2110.317
where: short stacking energy: -857.172
Base-Backbone interact. energy: 3.659
local terms energy: -854.281169
where:
bonds (distance) C4'-P energy: -141.869
bonds (distance) P-C4' energy: -161.512
flat angles C4'-P-C4' energy: -193.450
flat angles P-C4'-P energy: -112.971
tors. eta vs tors. theta energy: -244.479
Dist. restrs. and SS energy: 2.506 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -2761.225287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2761.225287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.855005 (E_RNA)
where:
Base-Base interactions energy: -1919.336
where: short stacking energy: -790.994
Base-Backbone interact. energy: -1.552
local terms energy: -841.966401
where:
bonds (distance) C4'-P energy: -150.046
bonds (distance) P-C4' energy: -166.549
flat angles C4'-P-C4' energy: -181.618
flat angles P-C4'-P energy: -115.722
tors. eta vs tors. theta energy: -228.031
Dist. restrs. and SS energy: 1.630 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -2611.037746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.037746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.737128 (E_RNA)
where:
Base-Base interactions energy: -1777.111
where: short stacking energy: -766.015
Base-Backbone interact. energy: -2.570
local terms energy: -833.055984
where:
bonds (distance) C4'-P energy: -158.642
bonds (distance) P-C4' energy: -156.834
flat angles C4'-P-C4' energy: -178.307
flat angles P-C4'-P energy: -114.896
tors. eta vs tors. theta energy: -224.377
Dist. restrs. and SS energy: 1.699 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -2476.053076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.053076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.887200 (E_RNA)
where:
Base-Base interactions energy: -1673.667
where: short stacking energy: -728.463
Base-Backbone interact. energy: -0.480
local terms energy: -805.740077
where:
bonds (distance) C4'-P energy: -157.500
bonds (distance) P-C4' energy: -148.135
flat angles C4'-P-C4' energy: -166.272
flat angles P-C4'-P energy: -117.454
tors. eta vs tors. theta energy: -216.380
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: 183
Temperature: 1.100000
Total energy: -2401.566468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.566468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.106964 (E_RNA)
where:
Base-Base interactions energy: -1632.595
where: short stacking energy: -699.851
Base-Backbone interact. energy: -1.398
local terms energy: -769.114462
where:
bonds (distance) C4'-P energy: -146.453
bonds (distance) P-C4' energy: -149.894
flat angles C4'-P-C4' energy: -165.772
flat angles P-C4'-P energy: -114.055
tors. eta vs tors. theta energy: -192.940
Dist. restrs. and SS energy: 1.540 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -2171.084975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.084975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.682065 (E_RNA)
where:
Base-Base interactions energy: -1465.026
where: short stacking energy: -633.590
Base-Backbone interact. energy: -0.610
local terms energy: -708.046053
where:
bonds (distance) C4'-P energy: -120.380
bonds (distance) P-C4' energy: -132.798
flat angles C4'-P-C4' energy: -153.457
flat angles P-C4'-P energy: -128.760
tors. eta vs tors. theta energy: -172.651
Dist. restrs. and SS energy: 2.597 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -2103.432539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.432539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.213880 (E_RNA)
where:
Base-Base interactions energy: -1409.985
where: short stacking energy: -606.650
Base-Backbone interact. energy: 0.335
local terms energy: -697.564076
where:
bonds (distance) C4'-P energy: -120.144
bonds (distance) P-C4' energy: -145.649
flat angles C4'-P-C4' energy: -158.182
flat angles P-C4'-P energy: -107.449
tors. eta vs tors. theta energy: -166.140
Dist. restrs. and SS energy: 3.781 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -2020.684209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.684209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.817620 (E_RNA)
where:
Base-Base interactions energy: -1395.101
where: short stacking energy: -596.163
Base-Backbone interact. energy: -0.436
local terms energy: -627.281165
where:
bonds (distance) C4'-P energy: -111.675
bonds (distance) P-C4' energy: -135.828
flat angles C4'-P-C4' energy: -159.668
flat angles P-C4'-P energy: -78.464
tors. eta vs tors. theta energy: -141.647
Dist. restrs. and SS energy: 2.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -1927.715824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.715824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.289592 (E_RNA)
where:
Base-Base interactions energy: -1313.671
where: short stacking energy: -549.862
Base-Backbone interact. energy: -1.918
local terms energy: -613.700182
where:
bonds (distance) C4'-P energy: -124.723
bonds (distance) P-C4' energy: -129.524
flat angles C4'-P-C4' energy: -133.593
flat angles P-C4'-P energy: -78.928
tors. eta vs tors. theta energy: -146.933
Dist. restrs. and SS energy: 1.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -1917.946100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.946100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.837798 (E_RNA)
where:
Base-Base interactions energy: -1328.423
where: short stacking energy: -562.556
Base-Backbone interact. energy: 2.259
local terms energy: -594.673430
where:
bonds (distance) C4'-P energy: -106.627
bonds (distance) P-C4' energy: -131.467
flat angles C4'-P-C4' energy: -141.520
flat angles P-C4'-P energy: -71.647
tors. eta vs tors. theta energy: -143.412
Dist. restrs. and SS energy: 2.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -2962.621263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2962.621263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2964.510518 (E_RNA)
where:
Base-Base interactions energy: -2092.295
where: short stacking energy: -865.096
Base-Backbone interact. energy: -0.404
local terms energy: -871.811796
where:
bonds (distance) C4'-P energy: -148.441
bonds (distance) P-C4' energy: -165.030
flat angles C4'-P-C4' energy: -182.958
flat angles P-C4'-P energy: -126.859
tors. eta vs tors. theta energy: -248.523
Dist. restrs. and SS energy: 1.889 (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: 4
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -2756.558895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.558895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2759.218769 (E_RNA)
where:
Base-Base interactions energy: -1937.364
where: short stacking energy: -793.532
Base-Backbone interact. energy: -0.754
local terms energy: -821.101150
where:
bonds (distance) C4'-P energy: -144.754
bonds (distance) P-C4' energy: -154.406
flat angles C4'-P-C4' energy: -172.322
flat angles P-C4'-P energy: -131.786
tors. eta vs tors. theta energy: -217.833
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: 5
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -2621.132462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.132462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.599961 (E_RNA)
where:
Base-Base interactions energy: -1777.001
where: short stacking energy: -766.847
Base-Backbone interact. energy: -4.645
local terms energy: -840.953739
where:
bonds (distance) C4'-P energy: -162.329
bonds (distance) P-C4' energy: -152.101
flat angles C4'-P-C4' energy: -186.535
flat angles P-C4'-P energy: -118.003
tors. eta vs tors. theta energy: -221.986
Dist. restrs. and SS energy: 1.467 (S_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: 184
Temperature: 1.050000
Total energy: -2473.313829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.313829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.321712 (E_RNA)
where:
Base-Base interactions energy: -1687.034
where: short stacking energy: -726.293
Base-Backbone interact. energy: -2.178
local terms energy: -786.110383
where:
bonds (distance) C4'-P energy: -132.327
bonds (distance) P-C4' energy: -154.774
flat angles C4'-P-C4' energy: -175.540
flat angles P-C4'-P energy: -112.899
tors. eta vs tors. theta energy: -210.569
Dist. restrs. and SS energy: 2.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -2381.227032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.227032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.596378 (E_RNA)
where:
Base-Base interactions energy: -1631.879
where: short stacking energy: -722.267
Base-Backbone interact. energy: -0.185
local terms energy: -751.532549
where:
bonds (distance) C4'-P energy: -141.336
bonds (distance) P-C4' energy: -128.432
flat angles C4'-P-C4' energy: -167.602
flat angles P-C4'-P energy: -106.829
tors. eta vs tors. theta energy: -207.333
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: 6, replica: 10
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -2188.795683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.795683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.543016 (E_RNA)
where:
Base-Base interactions energy: -1489.118
where: short stacking energy: -646.448
Base-Backbone interact. energy: -2.964
local terms energy: -698.461554
where:
bonds (distance) C4'-P energy: -129.976
bonds (distance) P-C4' energy: -150.006
flat angles C4'-P-C4' energy: -157.891
flat angles P-C4'-P energy: -98.312
tors. eta vs tors. theta energy: -162.276
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: 7, replica: 2
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -2157.366571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.366571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.849769 (E_RNA)
where:
Base-Base interactions energy: -1476.295
where: short stacking energy: -659.961
Base-Backbone interact. energy: -4.429
local terms energy: -679.126512
where:
bonds (distance) C4'-P energy: -120.093
bonds (distance) P-C4' energy: -135.840
flat angles C4'-P-C4' energy: -160.657
flat angles P-C4'-P energy: -101.638
tors. eta vs tors. theta energy: -160.898
Dist. restrs. and SS energy: 2.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -2011.818613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.818613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.234466 (E_RNA)
where:
Base-Base interactions energy: -1360.760
where: short stacking energy: -565.637
Base-Backbone interact. energy: 3.242
local terms energy: -656.716650
where:
bonds (distance) C4'-P energy: -157.592
bonds (distance) P-C4' energy: -116.489
flat angles C4'-P-C4' energy: -154.053
flat angles P-C4'-P energy: -87.102
tors. eta vs tors. theta energy: -141.481
Dist. restrs. and SS energy: 2.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -1916.860928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.860928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.584645 (E_RNA)
where:
Base-Base interactions energy: -1281.339
where: short stacking energy: -526.192
Base-Backbone interact. energy: -3.188
local terms energy: -635.058292
where:
bonds (distance) C4'-P energy: -136.515
bonds (distance) P-C4' energy: -150.698
flat angles C4'-P-C4' energy: -140.332
flat angles P-C4'-P energy: -70.451
tors. eta vs tors. theta energy: -137.063
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: 10, replica: 3
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -1916.269002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.269002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.605183 (E_RNA)
where:
Base-Base interactions energy: -1313.105
where: short stacking energy: -568.765
Base-Backbone interact. energy: -1.620
local terms energy: -603.880082
where:
bonds (distance) C4'-P energy: -100.631
bonds (distance) P-C4' energy: -139.826
flat angles C4'-P-C4' energy: -134.616
flat angles P-C4'-P energy: -88.084
tors. eta vs tors. theta energy: -140.723
Dist. restrs. and SS energy: 2.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -2952.795423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2952.795423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2955.821524 (E_RNA)
where:
Base-Base interactions energy: -2073.883
where: short stacking energy: -831.477
Base-Backbone interact. energy: 2.683
local terms energy: -884.620874
where:
bonds (distance) C4'-P energy: -159.789
bonds (distance) P-C4' energy: -167.521
flat angles C4'-P-C4' energy: -190.715
flat angles P-C4'-P energy: -124.217
tors. eta vs tors. theta energy: -242.379
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: 2, replica: 4
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -2726.584317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.584317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.661016 (E_RNA)
where:
Base-Base interactions energy: -1867.567
where: short stacking energy: -768.428
Base-Backbone interact. energy: -4.214
local terms energy: -855.880398
where:
bonds (distance) C4'-P energy: -166.612
bonds (distance) P-C4' energy: -156.427
flat angles C4'-P-C4' energy: -184.608
flat angles P-C4'-P energy: -131.280
tors. eta vs tors. theta energy: -216.954
Dist. restrs. and SS energy: 1.077 (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: 5
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -2599.051759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.051759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.029328 (E_RNA)
where:
Base-Base interactions energy: -1791.524
where: short stacking energy: -784.865
Base-Backbone interact. energy: 1.384
local terms energy: -810.889038
where:
bonds (distance) C4'-P energy: -153.854
bonds (distance) P-C4' energy: -150.535
flat angles C4'-P-C4' energy: -163.133
flat angles P-C4'-P energy: -113.895
tors. eta vs tors. theta energy: -229.472
Dist. restrs. and SS energy: 1.978 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -2507.867680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.867680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.697399 (E_RNA)
where:
Base-Base interactions energy: -1691.834
where: short stacking energy: -745.641
Base-Backbone interact. energy: -0.932
local terms energy: -817.930879
where:
bonds (distance) C4'-P energy: -147.982
bonds (distance) P-C4' energy: -143.753
flat angles C4'-P-C4' energy: -175.011
flat angles P-C4'-P energy: -120.170
tors. eta vs tors. theta energy: -231.015
Dist. restrs. and SS energy: 2.830 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -2392.704244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.704244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.260923 (E_RNA)
where:
Base-Base interactions energy: -1609.963
where: short stacking energy: -671.066
Base-Backbone interact. energy: -3.765
local terms energy: -781.533040
where:
bonds (distance) C4'-P energy: -135.992
bonds (distance) P-C4' energy: -153.349
flat angles C4'-P-C4' energy: -176.249
flat angles P-C4'-P energy: -125.089
tors. eta vs tors. theta energy: -190.855
Dist. restrs. and SS energy: 2.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -2214.994674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.994674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.040531 (E_RNA)
where:
Base-Base interactions energy: -1475.998
where: short stacking energy: -630.080
Base-Backbone interact. energy: 0.285
local terms energy: -741.327662
where:
bonds (distance) C4'-P energy: -141.711
bonds (distance) P-C4' energy: -157.221
flat angles C4'-P-C4' energy: -164.461
flat angles P-C4'-P energy: -103.295
tors. eta vs tors. theta energy: -174.640
Dist. restrs. and SS energy: 2.046 (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: 2
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -2085.868376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.868376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.932679 (E_RNA)
where:
Base-Base interactions energy: -1420.329
where: short stacking energy: -589.793
Base-Backbone interact. energy: -2.132
local terms energy: -666.472059
where:
bonds (distance) C4'-P energy: -154.098
bonds (distance) P-C4' energy: -122.921
flat angles C4'-P-C4' energy: -152.167
flat angles P-C4'-P energy: -85.491
tors. eta vs tors. theta energy: -151.795
Dist. restrs. and SS energy: 3.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -1998.333454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.333454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.886516 (E_RNA)
where:
Base-Base interactions energy: -1377.636
where: short stacking energy: -598.529
Base-Backbone interact. energy: -1.017
local terms energy: -623.233154
where:
bonds (distance) C4'-P energy: -137.139
bonds (distance) P-C4' energy: -103.308
flat angles C4'-P-C4' energy: -133.701
flat angles P-C4'-P energy: -85.558
tors. eta vs tors. theta energy: -163.528
Dist. restrs. and SS energy: 3.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -1984.900067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.900067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.350338 (E_RNA)
where:
Base-Base interactions energy: -1328.816
where: short stacking energy: -537.124
Base-Backbone interact. energy: -1.244
local terms energy: -657.290294
where:
bonds (distance) C4'-P energy: -143.748
bonds (distance) P-C4' energy: -135.929
flat angles C4'-P-C4' energy: -143.093
flat angles P-C4'-P energy: -91.375
tors. eta vs tors. theta energy: -143.146
Dist. restrs. and SS energy: 2.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -1885.067724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.067724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.539273 (E_RNA)
where:
Base-Base interactions energy: -1281.720
where: short stacking energy: -531.324
Base-Backbone interact. energy: 7.342
local terms energy: -614.161010
where:
bonds (distance) C4'-P energy: -138.536
bonds (distance) P-C4' energy: -128.143
flat angles C4'-P-C4' energy: -130.602
flat angles P-C4'-P energy: -83.538
tors. eta vs tors. theta energy: -133.342
Dist. restrs. and SS energy: 3.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -2952.329845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2952.329845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2955.302088 (E_RNA)
where:
Base-Base interactions energy: -2051.716
where: short stacking energy: -840.885
Base-Backbone interact. energy: -3.801
local terms energy: -899.784718
where:
bonds (distance) C4'-P energy: -165.886
bonds (distance) P-C4' energy: -173.554
flat angles C4'-P-C4' energy: -189.563
flat angles P-C4'-P energy: -130.011
tors. eta vs tors. theta energy: -240.770
Dist. restrs. and SS energy: 2.972 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -2707.038021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.038021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.096564 (E_RNA)
where:
Base-Base interactions energy: -1908.762
where: short stacking energy: -797.320
Base-Backbone interact. energy: 1.832
local terms energy: -802.166653
where:
bonds (distance) C4'-P energy: -161.683
bonds (distance) P-C4' energy: -140.560
flat angles C4'-P-C4' energy: -157.428
flat angles P-C4'-P energy: -121.882
tors. eta vs tors. theta energy: -220.614
Dist. restrs. and SS energy: 2.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -2580.660739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.660739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.297347 (E_RNA)
where:
Base-Base interactions energy: -1761.588
where: short stacking energy: -734.792
Base-Backbone interact. energy: -1.056
local terms energy: -820.653432
where:
bonds (distance) C4'-P energy: -148.411
bonds (distance) P-C4' energy: -153.734
flat angles C4'-P-C4' energy: -180.049
flat angles P-C4'-P energy: -118.295
tors. eta vs tors. theta energy: -220.165
Dist. restrs. and SS energy: 2.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -2547.599566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.599566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.235025 (E_RNA)
where:
Base-Base interactions energy: -1738.493
where: short stacking energy: -770.173
Base-Backbone interact. energy: -1.735
local terms energy: -810.007714
where:
bonds (distance) C4'-P energy: -145.654
bonds (distance) P-C4' energy: -155.737
flat angles C4'-P-C4' energy: -164.439
flat angles P-C4'-P energy: -106.752
tors. eta vs tors. theta energy: -237.427
Dist. restrs. and SS energy: 2.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -2401.012628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.012628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.231442 (E_RNA)
where:
Base-Base interactions energy: -1652.517
where: short stacking energy: -716.033
Base-Backbone interact. energy: 1.141
local terms energy: -751.855698
where:
bonds (distance) C4'-P energy: -133.073
bonds (distance) P-C4' energy: -143.885
flat angles C4'-P-C4' energy: -166.609
flat angles P-C4'-P energy: -95.923
tors. eta vs tors. theta energy: -212.365
Dist. restrs. and SS energy: 2.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -2202.463768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.463768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.666105 (E_RNA)
where:
Base-Base interactions energy: -1462.464
where: short stacking energy: -631.809
Base-Backbone interact. energy: -1.261
local terms energy: -739.941477
where:
bonds (distance) C4'-P energy: -140.284
bonds (distance) P-C4' energy: -156.222
flat angles C4'-P-C4' energy: -145.140
flat angles P-C4'-P energy: -109.681
tors. eta vs tors. theta energy: -188.615
Dist. restrs. and SS energy: 1.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -2097.530125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.530125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.917070 (E_RNA)
where:
Base-Base interactions energy: -1403.330
where: short stacking energy: -605.507
Base-Backbone interact. energy: -4.018
local terms energy: -692.569549
where:
bonds (distance) C4'-P energy: -136.192
bonds (distance) P-C4' energy: -141.274
flat angles C4'-P-C4' energy: -152.141
flat angles P-C4'-P energy: -90.484
tors. eta vs tors. theta energy: -172.479
Dist. restrs. and SS energy: 2.387 (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: 8
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -2040.158382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.158382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.385542 (E_RNA)
where:
Base-Base interactions energy: -1380.637
where: short stacking energy: -568.699
Base-Backbone interact. energy: 0.401
local terms energy: -663.148898
where:
bonds (distance) C4'-P energy: -129.696
bonds (distance) P-C4' energy: -136.997
flat angles C4'-P-C4' energy: -156.644
flat angles P-C4'-P energy: -80.619
tors. eta vs tors. theta energy: -159.193
Dist. restrs. and SS energy: 3.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -1975.565588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.565588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.050670 (E_RNA)
where:
Base-Base interactions energy: -1315.935
where: short stacking energy: -557.100
Base-Backbone interact. energy: -2.358
local terms energy: -660.757545
where:
bonds (distance) C4'-P energy: -116.535
bonds (distance) P-C4' energy: -152.981
flat angles C4'-P-C4' energy: -145.215
flat angles P-C4'-P energy: -90.708
tors. eta vs tors. theta energy: -155.319
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: 10, replica: 3
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -1880.012653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.012653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.388789 (E_RNA)
where:
Base-Base interactions energy: -1289.760
where: short stacking energy: -541.883
Base-Backbone interact. energy: -1.447
local terms energy: -591.181872
where:
bonds (distance) C4'-P energy: -129.452
bonds (distance) P-C4' energy: -108.516
flat angles C4'-P-C4' energy: -126.429
flat angles P-C4'-P energy: -92.775
tors. eta vs tors. theta energy: -134.010
Dist. restrs. and SS energy: 2.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -2983.368310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2983.368310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2984.973831 (E_RNA)
where:
Base-Base interactions energy: -2114.600
where: short stacking energy: -852.417
Base-Backbone interact. energy: 3.214
local terms energy: -873.588019
where:
bonds (distance) C4'-P energy: -141.810
bonds (distance) P-C4' energy: -154.180
flat angles C4'-P-C4' energy: -192.257
flat angles P-C4'-P energy: -135.945
tors. eta vs tors. theta energy: -249.396
Dist. restrs. and SS energy: 1.606 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -2689.440852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.440852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.896252 (E_RNA)
where:
Base-Base interactions energy: -1845.737
where: short stacking energy: -772.142
Base-Backbone interact. energy: -1.662
local terms energy: -843.496631
where:
bonds (distance) C4'-P energy: -157.068
bonds (distance) P-C4' energy: -174.933
flat angles C4'-P-C4' energy: -188.252
flat angles P-C4'-P energy: -114.364
tors. eta vs tors. theta energy: -208.879
Dist. restrs. and SS energy: 1.455 (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: 6
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -2588.741727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.741727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.810345 (E_RNA)
where:
Base-Base interactions energy: -1779.021
where: short stacking energy: -774.052
Base-Backbone interact. energy: 1.546
local terms energy: -812.334734
where:
bonds (distance) C4'-P energy: -153.913
bonds (distance) P-C4' energy: -159.283
flat angles C4'-P-C4' energy: -171.006
flat angles P-C4'-P energy: -110.313
tors. eta vs tors. theta energy: -217.819
Dist. restrs. and SS energy: 1.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -2552.592366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.592366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.695117 (E_RNA)
where:
Base-Base interactions energy: -1737.606
where: short stacking energy: -736.172
Base-Backbone interact. energy: -3.726
local terms energy: -812.362929
where:
bonds (distance) C4'-P energy: -167.878
bonds (distance) P-C4' energy: -143.441
flat angles C4'-P-C4' energy: -174.604
flat angles P-C4'-P energy: -108.601
tors. eta vs tors. theta energy: -217.838
Dist. restrs. and SS energy: 1.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -2353.710519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.710519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.798074 (E_RNA)
where:
Base-Base interactions energy: -1582.429
where: short stacking energy: -673.572
Base-Backbone interact. energy: -1.815
local terms energy: -772.553923
where:
bonds (distance) C4'-P energy: -152.878
bonds (distance) P-C4' energy: -156.174
flat angles C4'-P-C4' energy: -163.627
flat angles P-C4'-P energy: -98.162
tors. eta vs tors. theta energy: -201.713
Dist. restrs. and SS energy: 3.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -2218.577668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.577668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.931996 (E_RNA)
where:
Base-Base interactions energy: -1508.004
where: short stacking energy: -653.944
Base-Backbone interact. energy: -0.314
local terms energy: -712.614715
where:
bonds (distance) C4'-P energy: -137.913
bonds (distance) P-C4' energy: -140.758
flat angles C4'-P-C4' energy: -161.316
flat angles P-C4'-P energy: -92.088
tors. eta vs tors. theta energy: -180.540
Dist. restrs. and SS energy: 2.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -2117.683483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.683483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.625477 (E_RNA)
where:
Base-Base interactions energy: -1452.608
where: short stacking energy: -594.576
Base-Backbone interact. energy: -3.159
local terms energy: -665.858174
where:
bonds (distance) C4'-P energy: -147.830
bonds (distance) P-C4' energy: -130.277
flat angles C4'-P-C4' energy: -137.428
flat angles P-C4'-P energy: -87.551
tors. eta vs tors. theta energy: -162.772
Dist. restrs. and SS energy: 3.942 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -2048.663794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.663794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.000383 (E_RNA)
where:
Base-Base interactions energy: -1398.460
where: short stacking energy: -615.600
Base-Backbone interact. energy: 7.429
local terms energy: -660.969650
where:
bonds (distance) C4'-P energy: -116.748
bonds (distance) P-C4' energy: -132.318
flat angles C4'-P-C4' energy: -157.533
flat angles P-C4'-P energy: -87.423
tors. eta vs tors. theta energy: -166.948
Dist. restrs. and SS energy: 3.337 (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: 1
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -1963.294822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.294822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.345943 (E_RNA)
where:
Base-Base interactions energy: -1305.755
where: short stacking energy: -561.421
Base-Backbone interact. energy: -1.831
local terms energy: -658.759785
where:
bonds (distance) C4'-P energy: -120.689
bonds (distance) P-C4' energy: -144.562
flat angles C4'-P-C4' energy: -147.178
flat angles P-C4'-P energy: -91.203
tors. eta vs tors. theta energy: -155.128
Dist. restrs. and SS energy: 3.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -1910.201851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.201851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.725771 (E_RNA)
where:
Base-Base interactions energy: -1308.330
where: short stacking energy: -544.782
Base-Backbone interact. energy: 0.337
local terms energy: -605.732619
where:
bonds (distance) C4'-P energy: -114.644
bonds (distance) P-C4' energy: -150.056
flat angles C4'-P-C4' energy: -143.350
flat angles P-C4'-P energy: -57.034
tors. eta vs tors. theta energy: -140.648
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: 1, replica: 9
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -2950.967751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2950.967751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2953.340746 (E_RNA)
where:
Base-Base interactions energy: -2085.618
where: short stacking energy: -852.992
Base-Backbone interact. energy: 2.978
local terms energy: -870.700818
where:
bonds (distance) C4'-P energy: -152.323
bonds (distance) P-C4' energy: -157.918
flat angles C4'-P-C4' energy: -186.461
flat angles P-C4'-P energy: -121.201
tors. eta vs tors. theta energy: -252.798
Dist. restrs. and SS energy: 2.373 (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: 4
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -2757.375912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2757.375912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2759.054051 (E_RNA)
where:
Base-Base interactions energy: -1902.500
where: short stacking energy: -791.808
Base-Backbone interact. energy: -0.111
local terms energy: -856.442894
where:
bonds (distance) C4'-P energy: -172.580
bonds (distance) P-C4' energy: -161.717
flat angles C4'-P-C4' energy: -175.854
flat angles P-C4'-P energy: -107.442
tors. eta vs tors. theta energy: -238.850
Dist. restrs. and SS energy: 1.678 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -2560.831303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.831303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.348810 (E_RNA)
where:
Base-Base interactions energy: -1744.594
where: short stacking energy: -740.047
Base-Backbone interact. energy: 2.456
local terms energy: -820.210870
where:
bonds (distance) C4'-P energy: -151.861
bonds (distance) P-C4' energy: -165.967
flat angles C4'-P-C4' energy: -180.162
flat angles P-C4'-P energy: -107.527
tors. eta vs tors. theta energy: -214.694
Dist. restrs. and SS energy: 1.518 (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: 5
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -2525.699845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.699845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.787233 (E_RNA)
where:
Base-Base interactions energy: -1713.227
where: short stacking energy: -745.551
Base-Backbone interact. energy: -1.063
local terms energy: -812.496782
where:
bonds (distance) C4'-P energy: -139.427
bonds (distance) P-C4' energy: -154.462
flat angles C4'-P-C4' energy: -186.723
flat angles P-C4'-P energy: -124.139
tors. eta vs tors. theta energy: -207.745
Dist. restrs. and SS energy: 1.087 (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: 7
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -2375.999943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.999943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.554383 (E_RNA)
where:
Base-Base interactions energy: -1620.889
where: short stacking energy: -686.067
Base-Backbone interact. energy: 4.427
local terms energy: -761.092718
where:
bonds (distance) C4'-P energy: -143.973
bonds (distance) P-C4' energy: -157.829
flat angles C4'-P-C4' energy: -163.452
flat angles P-C4'-P energy: -98.033
tors. eta vs tors. theta energy: -197.807
Dist. restrs. and SS energy: 1.554 (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: 10
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -2260.751771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.751771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.398172 (E_RNA)
where:
Base-Base interactions energy: -1528.206
where: short stacking energy: -667.202
Base-Backbone interact. energy: 12.772
local terms energy: -747.964897
where:
bonds (distance) C4'-P energy: -147.762
bonds (distance) P-C4' energy: -134.513
flat angles C4'-P-C4' energy: -173.170
flat angles P-C4'-P energy: -99.612
tors. eta vs tors. theta energy: -192.909
Dist. restrs. and SS energy: 2.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -2116.511342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.511342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.835714 (E_RNA)
where:
Base-Base interactions energy: -1396.950
where: short stacking energy: -600.700
Base-Backbone interact. energy: -0.128
local terms energy: -720.757012
where:
bonds (distance) C4'-P energy: -144.151
bonds (distance) P-C4' energy: -140.314
flat angles C4'-P-C4' energy: -167.710
flat angles P-C4'-P energy: -98.511
tors. eta vs tors. theta energy: -170.072
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: 8, replica: 8
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -1961.400567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.400567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.945406 (E_RNA)
where:
Base-Base interactions energy: -1309.556
where: short stacking energy: -551.487
Base-Backbone interact. energy: -1.044
local terms energy: -653.346082
where:
bonds (distance) C4'-P energy: -147.450
bonds (distance) P-C4' energy: -139.191
flat angles C4'-P-C4' energy: -150.769
flat angles P-C4'-P energy: -97.403
tors. eta vs tors. theta energy: -118.532
Dist. restrs. and SS energy: 2.545 (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: 188
Temperature: 1.300000
Total energy: -1935.794552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.794552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.813832 (E_RNA)
where:
Base-Base interactions energy: -1298.312
where: short stacking energy: -534.159
Base-Backbone interact. energy: 0.223
local terms energy: -640.724362
where:
bonds (distance) C4'-P energy: -131.923
bonds (distance) P-C4' energy: -121.921
flat angles C4'-P-C4' energy: -155.866
flat angles P-C4'-P energy: -102.797
tors. eta vs tors. theta energy: -128.218
Dist. restrs. and SS energy: 3.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -1854.560156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.560156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.816989 (E_RNA)
where:
Base-Base interactions energy: -1272.476
where: short stacking energy: -525.924
Base-Backbone interact. energy: -1.874
local terms energy: -582.467556
where:
bonds (distance) C4'-P energy: -116.358
bonds (distance) P-C4' energy: -122.383
flat angles C4'-P-C4' energy: -129.614
flat angles P-C4'-P energy: -82.412
tors. eta vs tors. theta energy: -131.700
Dist. restrs. and SS energy: 2.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -2939.484116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2939.484116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2943.284443 (E_RNA)
where:
Base-Base interactions energy: -2063.072
where: short stacking energy: -859.337
Base-Backbone interact. energy: 2.260
local terms energy: -882.473010
where:
bonds (distance) C4'-P energy: -157.577
bonds (distance) P-C4' energy: -160.967
flat angles C4'-P-C4' energy: -187.459
flat angles P-C4'-P energy: -125.639
tors. eta vs tors. theta energy: -250.831
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: 2, replica: 4
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -2724.311009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.311009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2725.434880 (E_RNA)
where:
Base-Base interactions energy: -1908.374
where: short stacking energy: -801.487
Base-Backbone interact. energy: 4.114
local terms energy: -821.175117
where:
bonds (distance) C4'-P energy: -165.379
bonds (distance) P-C4' energy: -149.628
flat angles C4'-P-C4' energy: -181.289
flat angles P-C4'-P energy: -102.237
tors. eta vs tors. theta energy: -222.642
Dist. restrs. and SS energy: 1.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -2572.589619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.589619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.355212 (E_RNA)
where:
Base-Base interactions energy: -1771.008
where: short stacking energy: -781.197
Base-Backbone interact. energy: -3.911
local terms energy: -800.436029
where:
bonds (distance) C4'-P energy: -145.711
bonds (distance) P-C4' energy: -130.852
flat angles C4'-P-C4' energy: -185.279
flat angles P-C4'-P energy: -121.072
tors. eta vs tors. theta energy: -217.522
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: 4, replica: 5
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -2493.821548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.821548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.210002 (E_RNA)
where:
Base-Base interactions energy: -1724.196
where: short stacking energy: -723.808
Base-Backbone interact. energy: 1.566
local terms energy: -773.580173
where:
bonds (distance) C4'-P energy: -142.371
bonds (distance) P-C4' energy: -149.684
flat angles C4'-P-C4' energy: -171.029
flat angles P-C4'-P energy: -103.236
tors. eta vs tors. theta energy: -207.261
Dist. restrs. and SS energy: 2.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -2368.212496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.212496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.104260 (E_RNA)
where:
Base-Base interactions energy: -1621.803
where: short stacking energy: -689.453
Base-Backbone interact. energy: 10.121
local terms energy: -757.422383
where:
bonds (distance) C4'-P energy: -148.739
bonds (distance) P-C4' energy: -128.110
flat angles C4'-P-C4' energy: -174.316
flat angles P-C4'-P energy: -106.476
tors. eta vs tors. theta energy: -199.782
Dist. restrs. and SS energy: 0.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -2233.106136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.106136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.419533 (E_RNA)
where:
Base-Base interactions energy: -1507.370
where: short stacking energy: -674.378
Base-Backbone interact. energy: -0.774
local terms energy: -727.275175
where:
bonds (distance) C4'-P energy: -139.064
bonds (distance) P-C4' energy: -145.678
flat angles C4'-P-C4' energy: -171.673
flat angles P-C4'-P energy: -89.498
tors. eta vs tors. theta energy: -181.362
Dist. restrs. and SS energy: 2.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -2065.346815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.346815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.784601 (E_RNA)
where:
Base-Base interactions energy: -1393.600
where: short stacking energy: -577.711
Base-Backbone interact. energy: -1.932
local terms energy: -672.252083
where:
bonds (distance) C4'-P energy: -125.092
bonds (distance) P-C4' energy: -149.765
flat angles C4'-P-C4' energy: -149.070
flat angles P-C4'-P energy: -104.262
tors. eta vs tors. theta energy: -144.062
Dist. restrs. and SS energy: 2.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -2032.524246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.524246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.673276 (E_RNA)
where:
Base-Base interactions energy: -1356.826
where: short stacking energy: -599.415
Base-Backbone interact. energy: -0.665
local terms energy: -677.182871
where:
bonds (distance) C4'-P energy: -126.504
bonds (distance) P-C4' energy: -127.184
flat angles C4'-P-C4' energy: -157.308
flat angles P-C4'-P energy: -87.247
tors. eta vs tors. theta energy: -178.940
Dist. restrs. and SS energy: 2.149 (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: 8
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -1922.881068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.881068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.127975 (E_RNA)
where:
Base-Base interactions energy: -1302.241
where: short stacking energy: -546.441
Base-Backbone interact. energy: 3.167
local terms energy: -627.053587
where:
bonds (distance) C4'-P energy: -130.248
bonds (distance) P-C4' energy: -125.837
flat angles C4'-P-C4' energy: -140.939
flat angles P-C4'-P energy: -94.319
tors. eta vs tors. theta energy: -135.710
Dist. restrs. and SS energy: 3.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -1867.169444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.169444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.027649 (E_RNA)
where:
Base-Base interactions energy: -1315.465
where: short stacking energy: -544.065
Base-Backbone interact. energy: -4.440
local terms energy: -550.122636
where:
bonds (distance) C4'-P energy: -93.748
bonds (distance) P-C4' energy: -109.601
flat angles C4'-P-C4' energy: -141.885
flat angles P-C4'-P energy: -84.002
tors. eta vs tors. theta energy: -120.887
Dist. restrs. and SS energy: 2.858 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -2953.036614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2953.036614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2954.025012 (E_RNA)
where:
Base-Base interactions energy: -2093.555
where: short stacking energy: -844.337
Base-Backbone interact. energy: -2.826
local terms energy: -857.644127
where:
bonds (distance) C4'-P energy: -157.502
bonds (distance) P-C4' energy: -164.217
flat angles C4'-P-C4' energy: -189.318
flat angles P-C4'-P energy: -102.388
tors. eta vs tors. theta energy: -244.219
Dist. restrs. and SS energy: 0.988 (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: 4
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -2750.850544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2750.850544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2752.080112 (E_RNA)
where:
Base-Base interactions energy: -1892.779
where: short stacking energy: -800.672
Base-Backbone interact. energy: -3.570
local terms energy: -855.730764
where:
bonds (distance) C4'-P energy: -160.513
bonds (distance) P-C4' energy: -165.396
flat angles C4'-P-C4' energy: -177.102
flat angles P-C4'-P energy: -124.345
tors. eta vs tors. theta energy: -228.376
Dist. restrs. and SS energy: 1.230 (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: 6
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -2579.262393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.262393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.769961 (E_RNA)
where:
Base-Base interactions energy: -1756.767
where: short stacking energy: -739.804
Base-Backbone interact. energy: 5.321
local terms energy: -829.323103
where:
bonds (distance) C4'-P energy: -170.307
bonds (distance) P-C4' energy: -157.521
flat angles C4'-P-C4' energy: -173.524
flat angles P-C4'-P energy: -114.224
tors. eta vs tors. theta energy: -213.746
Dist. restrs. and SS energy: 1.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -2505.961712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.961712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.478640 (E_RNA)
where:
Base-Base interactions energy: -1705.878
where: short stacking energy: -721.817
Base-Backbone interact. energy: 6.124
local terms energy: -808.725320
where:
bonds (distance) C4'-P energy: -152.268
bonds (distance) P-C4' energy: -144.401
flat angles C4'-P-C4' energy: -180.589
flat angles P-C4'-P energy: -118.934
tors. eta vs tors. theta energy: -212.535
Dist. restrs. and SS energy: 2.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -2367.883584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.883584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.157871 (E_RNA)
where:
Base-Base interactions energy: -1603.472
where: short stacking energy: -659.902
Base-Backbone interact. energy: -0.791
local terms energy: -767.894247
where:
bonds (distance) C4'-P energy: -155.844
bonds (distance) P-C4' energy: -157.415
flat angles C4'-P-C4' energy: -168.666
flat angles P-C4'-P energy: -101.480
tors. eta vs tors. theta energy: -184.489
Dist. restrs. and SS energy: 4.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -2209.781523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.781523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.478955 (E_RNA)
where:
Base-Base interactions energy: -1489.015
where: short stacking energy: -658.356
Base-Backbone interact. energy: 5.427
local terms energy: -727.891213
where:
bonds (distance) C4'-P energy: -142.757
bonds (distance) P-C4' energy: -133.526
flat angles C4'-P-C4' energy: -162.093
flat angles P-C4'-P energy: -99.201
tors. eta vs tors. theta energy: -190.313
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: 7, replica: 1
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -2105.836150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.836150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.550353 (E_RNA)
where:
Base-Base interactions energy: -1403.199
where: short stacking energy: -631.225
Base-Backbone interact. energy: -1.506
local terms energy: -703.845342
where:
bonds (distance) C4'-P energy: -117.531
bonds (distance) P-C4' energy: -165.737
flat angles C4'-P-C4' energy: -157.409
flat angles P-C4'-P energy: -90.303
tors. eta vs tors. theta energy: -172.866
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: 8, replica: 2
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -2014.305178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.305178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.117401 (E_RNA)
where:
Base-Base interactions energy: -1366.105
where: short stacking energy: -573.980
Base-Backbone interact. energy: 1.368
local terms energy: -654.380484
where:
bonds (distance) C4'-P energy: -124.986
bonds (distance) P-C4' energy: -128.173
flat angles C4'-P-C4' energy: -151.275
flat angles P-C4'-P energy: -101.958
tors. eta vs tors. theta energy: -147.989
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: 9, replica: 8
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -1917.589246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.589246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.520814 (E_RNA)
where:
Base-Base interactions energy: -1291.626
where: short stacking energy: -544.508
Base-Backbone interact. energy: -2.499
local terms energy: -627.396389
where:
bonds (distance) C4'-P energy: -119.155
bonds (distance) P-C4' energy: -129.900
flat angles C4'-P-C4' energy: -150.621
flat angles P-C4'-P energy: -86.903
tors. eta vs tors. theta energy: -140.818
Dist. restrs. and SS energy: 3.932 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -1812.939178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.939178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.604370 (E_RNA)
where:
Base-Base interactions energy: -1263.144
where: short stacking energy: -518.033
Base-Backbone interact. energy: -1.293
local terms energy: -557.167470
where:
bonds (distance) C4'-P energy: -101.296
bonds (distance) P-C4' energy: -131.586
flat angles C4'-P-C4' energy: -126.602
flat angles P-C4'-P energy: -68.571
tors. eta vs tors. theta energy: -129.113
Dist. restrs. and SS energy: 8.665 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -2966.570983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2966.570983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2967.548770 (E_RNA)
where:
Base-Base interactions energy: -2090.317
where: short stacking energy: -856.019
Base-Backbone interact. energy: 1.952
local terms energy: -879.183366
where:
bonds (distance) C4'-P energy: -160.613
bonds (distance) P-C4' energy: -152.532
flat angles C4'-P-C4' energy: -183.706
flat angles P-C4'-P energy: -134.268
tors. eta vs tors. theta energy: -248.065
Dist. restrs. and SS energy: 0.978 (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: 4
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -2763.330225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2763.330225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2765.026780 (E_RNA)
where:
Base-Base interactions energy: -1913.519
where: short stacking energy: -768.938
Base-Backbone interact. energy: 3.185
local terms energy: -854.692063
where:
bonds (distance) C4'-P energy: -160.912
bonds (distance) P-C4' energy: -175.543
flat angles C4'-P-C4' energy: -177.382
flat angles P-C4'-P energy: -115.687
tors. eta vs tors. theta energy: -225.168
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: 3, replica: 6
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -2544.313612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.313612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.822263 (E_RNA)
where:
Base-Base interactions energy: -1700.507
where: short stacking energy: -719.791
Base-Backbone interact. energy: 3.152
local terms energy: -848.467234
where:
bonds (distance) C4'-P energy: -173.103
bonds (distance) P-C4' energy: -148.375
flat angles C4'-P-C4' energy: -191.762
flat angles P-C4'-P energy: -123.661
tors. eta vs tors. theta energy: -211.567
Dist. restrs. and SS energy: 1.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -2536.105820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.105820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.594737 (E_RNA)
where:
Base-Base interactions energy: -1733.907
where: short stacking energy: -749.698
Base-Backbone interact. energy: -4.759
local terms energy: -798.928881
where:
bonds (distance) C4'-P energy: -156.215
bonds (distance) P-C4' energy: -143.746
flat angles C4'-P-C4' energy: -156.500
flat angles P-C4'-P energy: -118.180
tors. eta vs tors. theta energy: -224.287
Dist. restrs. and SS energy: 1.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -2360.624843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.624843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.631346 (E_RNA)
where:
Base-Base interactions energy: -1609.068
where: short stacking energy: -678.129
Base-Backbone interact. energy: 2.404
local terms energy: -755.967638
where:
bonds (distance) C4'-P energy: -131.963
bonds (distance) P-C4' energy: -164.059
flat angles C4'-P-C4' energy: -163.847
flat angles P-C4'-P energy: -111.789
tors. eta vs tors. theta energy: -184.309
Dist. restrs. and SS energy: 2.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -2236.767919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.767919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.403689 (E_RNA)
where:
Base-Base interactions energy: -1499.557
where: short stacking energy: -661.087
Base-Backbone interact. energy: 3.296
local terms energy: -742.142841
where:
bonds (distance) C4'-P energy: -135.782
bonds (distance) P-C4' energy: -148.019
flat angles C4'-P-C4' energy: -167.082
flat angles P-C4'-P energy: -94.487
tors. eta vs tors. theta energy: -196.774
Dist. restrs. and SS energy: 1.636 (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: 1
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -2095.410733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.410733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.341205 (E_RNA)
where:
Base-Base interactions energy: -1408.645
where: short stacking energy: -604.889
Base-Backbone interact. energy: 0.928
local terms energy: -690.623326
where:
bonds (distance) C4'-P energy: -105.286
bonds (distance) P-C4' energy: -152.215
flat angles C4'-P-C4' energy: -153.907
flat angles P-C4'-P energy: -104.257
tors. eta vs tors. theta energy: -174.958
Dist. restrs. and SS energy: 2.930 (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: 8
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -2027.215207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.215207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.938878 (E_RNA)
where:
Base-Base interactions energy: -1370.215
where: short stacking energy: -559.301
Base-Backbone interact. energy: -0.240
local terms energy: -659.483552
where:
bonds (distance) C4'-P energy: -119.003
bonds (distance) P-C4' energy: -145.204
flat angles C4'-P-C4' energy: -149.889
flat angles P-C4'-P energy: -97.860
tors. eta vs tors. theta energy: -147.528
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: 9, replica: 2
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -1948.599482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.599482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.055706 (E_RNA)
where:
Base-Base interactions energy: -1324.554
where: short stacking energy: -543.114
Base-Backbone interact. energy: -2.475
local terms energy: -625.027089
where:
bonds (distance) C4'-P energy: -132.404
bonds (distance) P-C4' energy: -114.998
flat angles C4'-P-C4' energy: -150.053
flat angles P-C4'-P energy: -93.762
tors. eta vs tors. theta energy: -133.810
Dist. restrs. and SS energy: 3.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -1881.977720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.977720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.034191 (E_RNA)
where:
Base-Base interactions energy: -1286.729
where: short stacking energy: -533.302
Base-Backbone interact. energy: -3.240
local terms energy: -594.065757
where:
bonds (distance) C4'-P energy: -114.380
bonds (distance) P-C4' energy: -119.834
flat angles C4'-P-C4' energy: -131.221
flat angles P-C4'-P energy: -92.281
tors. eta vs tors. theta energy: -136.349
Dist. restrs. and SS energy: 2.056 (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: 9
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -2981.729646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2981.729646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2982.606852 (E_RNA)
where:
Base-Base interactions energy: -2102.404
where: short stacking energy: -863.200
Base-Backbone interact. energy: -3.005
local terms energy: -877.197790
where:
bonds (distance) C4'-P energy: -156.390
bonds (distance) P-C4' energy: -165.142
flat angles C4'-P-C4' energy: -187.430
flat angles P-C4'-P energy: -121.257
tors. eta vs tors. theta energy: -246.979
Dist. restrs. and SS energy: 0.877 (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: 4
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -2768.432734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2768.432734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.084932 (E_RNA)
where:
Base-Base interactions energy: -1918.360
where: short stacking energy: -753.698
Base-Backbone interact. energy: -1.824
local terms energy: -849.901169
where:
bonds (distance) C4'-P energy: -144.870
bonds (distance) P-C4' energy: -167.268
flat angles C4'-P-C4' energy: -182.982
flat angles P-C4'-P energy: -122.015
tors. eta vs tors. theta energy: -232.767
Dist. restrs. and SS energy: 1.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -2626.501981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.501981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.831644 (E_RNA)
where:
Base-Base interactions energy: -1788.166
where: short stacking energy: -779.443
Base-Backbone interact. energy: 0.723
local terms energy: -840.388354
where:
bonds (distance) C4'-P energy: -171.973
bonds (distance) P-C4' energy: -154.276
flat angles C4'-P-C4' energy: -175.472
flat angles P-C4'-P energy: -118.997
tors. eta vs tors. theta energy: -219.671
Dist. restrs. and SS energy: 1.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -2541.461789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.461789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.752180 (E_RNA)
where:
Base-Base interactions energy: -1731.861
where: short stacking energy: -738.562
Base-Backbone interact. energy: 0.565
local terms energy: -813.456143
where:
bonds (distance) C4'-P energy: -143.290
bonds (distance) P-C4' energy: -159.888
flat angles C4'-P-C4' energy: -172.263
flat angles P-C4'-P energy: -109.469
tors. eta vs tors. theta energy: -228.546
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: 7
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -2375.037777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.037777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.173732 (E_RNA)
where:
Base-Base interactions energy: -1597.187
where: short stacking energy: -685.780
Base-Backbone interact. energy: -3.533
local terms energy: -776.453691
where:
bonds (distance) C4'-P energy: -136.860
bonds (distance) P-C4' energy: -150.953
flat angles C4'-P-C4' energy: -177.067
flat angles P-C4'-P energy: -106.945
tors. eta vs tors. theta energy: -204.629
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: 6, replica: 10
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -2182.237863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.237863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.602136 (E_RNA)
where:
Base-Base interactions energy: -1497.875
where: short stacking energy: -646.990
Base-Backbone interact. energy: -1.306
local terms energy: -684.421062
where:
bonds (distance) C4'-P energy: -123.247
bonds (distance) P-C4' energy: -131.828
flat angles C4'-P-C4' energy: -162.240
flat angles P-C4'-P energy: -88.941
tors. eta vs tors. theta energy: -178.164
Dist. restrs. and SS energy: 1.364 (S_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: 192
Temperature: 1.200000
Total energy: -2112.664556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.664556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.544470 (E_RNA)
where:
Base-Base interactions energy: -1425.095
where: short stacking energy: -581.204
Base-Backbone interact. energy: -1.658
local terms energy: -687.791092
where:
bonds (distance) C4'-P energy: -147.193
bonds (distance) P-C4' energy: -137.026
flat angles C4'-P-C4' energy: -156.622
flat angles P-C4'-P energy: -91.044
tors. eta vs tors. theta energy: -155.906
Dist. restrs. and SS energy: 1.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -2060.721202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.721202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.662984 (E_RNA)
where:
Base-Base interactions energy: -1403.715
where: short stacking energy: -613.133
Base-Backbone interact. energy: 1.072
local terms energy: -660.019540
where:
bonds (distance) C4'-P energy: -141.770
bonds (distance) P-C4' energy: -148.044
flat angles C4'-P-C4' energy: -125.198
flat angles P-C4'-P energy: -81.148
tors. eta vs tors. theta energy: -163.859
Dist. restrs. and SS energy: 1.942 (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: 2
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -1962.619906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.619906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.665941 (E_RNA)
where:
Base-Base interactions energy: -1342.660
where: short stacking energy: -573.843
Base-Backbone interact. energy: 4.090
local terms energy: -627.095875
where:
bonds (distance) C4'-P energy: -128.404
bonds (distance) P-C4' energy: -124.387
flat angles C4'-P-C4' energy: -133.604
flat angles P-C4'-P energy: -93.743
tors. eta vs tors. theta energy: -146.958
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: 10, replica: 3
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -1871.044168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.044168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.096234 (E_RNA)
where:
Base-Base interactions energy: -1295.746
where: short stacking energy: -514.433
Base-Backbone interact. energy: -3.571
local terms energy: -575.779280
where:
bonds (distance) C4'-P energy: -112.783
bonds (distance) P-C4' energy: -130.250
flat angles C4'-P-C4' energy: -117.530
flat angles P-C4'-P energy: -88.319
tors. eta vs tors. theta energy: -126.897
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: 1, replica: 9
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -2967.516275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2967.516275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2968.763576 (E_RNA)
where:
Base-Base interactions energy: -2095.286
where: short stacking energy: -863.261
Base-Backbone interact. energy: 2.399
local terms energy: -875.876443
where:
bonds (distance) C4'-P energy: -157.933
bonds (distance) P-C4' energy: -176.391
flat angles C4'-P-C4' energy: -179.137
flat angles P-C4'-P energy: -120.313
tors. eta vs tors. theta energy: -242.102
Dist. restrs. and SS energy: 1.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -2793.693627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.693627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.849369 (E_RNA)
where:
Base-Base interactions energy: -1955.383
where: short stacking energy: -795.488
Base-Backbone interact. energy: -2.344
local terms energy: -838.122248
where:
bonds (distance) C4'-P energy: -152.896
bonds (distance) P-C4' energy: -159.954
flat angles C4'-P-C4' energy: -178.110
flat angles P-C4'-P energy: -113.831
tors. eta vs tors. theta energy: -233.331
Dist. restrs. and SS energy: 2.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -2597.794970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.794970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.011349 (E_RNA)
where:
Base-Base interactions energy: -1761.419
where: short stacking energy: -743.849
Base-Backbone interact. energy: 0.696
local terms energy: -838.287588
where:
bonds (distance) C4'-P energy: -141.895
bonds (distance) P-C4' energy: -166.665
flat angles C4'-P-C4' energy: -186.724
flat angles P-C4'-P energy: -124.065
tors. eta vs tors. theta energy: -218.938
Dist. restrs. and SS energy: 1.216 (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: 5
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -2531.514500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.514500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.014833 (E_RNA)
where:
Base-Base interactions energy: -1737.311
where: short stacking energy: -748.599
Base-Backbone interact. energy: 5.328
local terms energy: -801.031371
where:
bonds (distance) C4'-P energy: -150.481
bonds (distance) P-C4' energy: -143.288
flat angles C4'-P-C4' energy: -178.445
flat angles P-C4'-P energy: -101.077
tors. eta vs tors. theta energy: -227.741
Dist. restrs. and SS energy: 1.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -2372.309888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.309888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.710361 (E_RNA)
where:
Base-Base interactions energy: -1627.296
where: short stacking energy: -714.476
Base-Backbone interact. energy: -2.168
local terms energy: -745.245881
where:
bonds (distance) C4'-P energy: -141.716
bonds (distance) P-C4' energy: -131.728
flat angles C4'-P-C4' energy: -163.932
flat angles P-C4'-P energy: -114.812
tors. eta vs tors. theta energy: -193.058
Dist. restrs. and SS energy: 2.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -2212.378906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.378906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.080422 (E_RNA)
where:
Base-Base interactions energy: -1496.309
where: short stacking energy: -673.239
Base-Backbone interact. energy: -2.276
local terms energy: -715.494949
where:
bonds (distance) C4'-P energy: -127.311
bonds (distance) P-C4' energy: -157.686
flat angles C4'-P-C4' energy: -157.551
flat angles P-C4'-P energy: -77.365
tors. eta vs tors. theta energy: -195.582
Dist. restrs. and SS energy: 1.702 (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: 8
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -2106.784244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.784244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.404629 (E_RNA)
where:
Base-Base interactions energy: -1446.847
where: short stacking energy: -614.773
Base-Backbone interact. energy: 3.482
local terms energy: -666.039860
where:
bonds (distance) C4'-P energy: -136.618
bonds (distance) P-C4' energy: -151.686
flat angles C4'-P-C4' energy: -131.174
flat angles P-C4'-P energy: -98.618
tors. eta vs tors. theta energy: -147.943
Dist. restrs. and SS energy: 2.620 (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: 1
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -2043.799837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.799837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.516475 (E_RNA)
where:
Base-Base interactions energy: -1393.620
where: short stacking energy: -577.274
Base-Backbone interact. energy: 0.425
local terms energy: -653.322036
where:
bonds (distance) C4'-P energy: -109.431
bonds (distance) P-C4' energy: -132.451
flat angles C4'-P-C4' energy: -157.139
flat angles P-C4'-P energy: -100.210
tors. eta vs tors. theta energy: -154.092
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: 9, replica: 2
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -1932.321911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.321911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.617958 (E_RNA)
where:
Base-Base interactions energy: -1298.102
where: short stacking energy: -531.726
Base-Backbone interact. energy: 0.763
local terms energy: -638.278581
where:
bonds (distance) C4'-P energy: -119.492
bonds (distance) P-C4' energy: -156.226
flat angles C4'-P-C4' energy: -150.201
flat angles P-C4'-P energy: -86.509
tors. eta vs tors. theta energy: -125.851
Dist. restrs. and SS energy: 3.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -1849.146416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.146416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.529898 (E_RNA)
where:
Base-Base interactions energy: -1254.941
where: short stacking energy: -515.120
Base-Backbone interact. energy: -2.327
local terms energy: -594.262077
where:
bonds (distance) C4'-P energy: -133.448
bonds (distance) P-C4' energy: -129.398
flat angles C4'-P-C4' energy: -112.206
flat angles P-C4'-P energy: -85.530
tors. eta vs tors. theta energy: -133.680
Dist. restrs. and SS energy: 2.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -2983.797723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2983.797723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2985.165702 (E_RNA)
where:
Base-Base interactions energy: -2099.498
where: short stacking energy: -866.396
Base-Backbone interact. energy: -2.001
local terms energy: -883.666912
where:
bonds (distance) C4'-P energy: -163.037
bonds (distance) P-C4' energy: -174.708
flat angles C4'-P-C4' energy: -181.086
flat angles P-C4'-P energy: -111.019
tors. eta vs tors. theta energy: -253.818
Dist. restrs. and SS energy: 1.368 (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: 4
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -2755.553014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.553014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.083517 (E_RNA)
where:
Base-Base interactions energy: -1920.962
where: short stacking energy: -779.629
Base-Backbone interact. energy: -1.882
local terms energy: -834.239357
where:
bonds (distance) C4'-P energy: -160.276
bonds (distance) P-C4' energy: -153.584
flat angles C4'-P-C4' energy: -170.144
flat angles P-C4'-P energy: -119.558
tors. eta vs tors. theta energy: -230.678
Dist. restrs. and SS energy: 1.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -2593.352745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.352745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.374474 (E_RNA)
where:
Base-Base interactions energy: -1765.711
where: short stacking energy: -771.581
Base-Backbone interact. energy: -0.029
local terms energy: -829.634797
where:
bonds (distance) C4'-P energy: -154.903
bonds (distance) P-C4' energy: -160.078
flat angles C4'-P-C4' energy: -175.301
flat angles P-C4'-P energy: -119.651
tors. eta vs tors. theta energy: -219.702
Dist. restrs. and SS energy: 2.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -2535.509786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.509786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.522773 (E_RNA)
where:
Base-Base interactions energy: -1748.643
where: short stacking energy: -745.032
Base-Backbone interact. energy: 3.010
local terms energy: -792.890381
where:
bonds (distance) C4'-P energy: -136.118
bonds (distance) P-C4' energy: -124.215
flat angles C4'-P-C4' energy: -184.572
flat angles P-C4'-P energy: -123.662
tors. eta vs tors. theta energy: -224.323
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: 5, replica: 7
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -2377.828029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.828029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.063347 (E_RNA)
where:
Base-Base interactions energy: -1594.986
where: short stacking energy: -682.121
Base-Backbone interact. energy: -2.150
local terms energy: -781.927106
where:
bonds (distance) C4'-P energy: -157.985
bonds (distance) P-C4' energy: -145.479
flat angles C4'-P-C4' energy: -172.177
flat angles P-C4'-P energy: -112.359
tors. eta vs tors. theta energy: -193.928
Dist. restrs. and SS energy: 1.235 (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: 10
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -2173.427584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.427584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.261045 (E_RNA)
where:
Base-Base interactions energy: -1435.844
where: short stacking energy: -619.286
Base-Backbone interact. energy: -1.236
local terms energy: -738.181773
where:
bonds (distance) C4'-P energy: -159.544
bonds (distance) P-C4' energy: -147.193
flat angles C4'-P-C4' energy: -171.776
flat angles P-C4'-P energy: -95.890
tors. eta vs tors. theta energy: -163.779
Dist. restrs. and SS energy: 1.833 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -2155.400973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.400973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.716788 (E_RNA)
where:
Base-Base interactions energy: -1442.406
where: short stacking energy: -615.847
Base-Backbone interact. energy: -1.310
local terms energy: -714.001039
where:
bonds (distance) C4'-P energy: -136.185
bonds (distance) P-C4' energy: -127.676
flat angles C4'-P-C4' energy: -179.793
flat angles P-C4'-P energy: -96.551
tors. eta vs tors. theta energy: -173.796
Dist. restrs. and SS energy: 2.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -2009.191365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.191365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.150382 (E_RNA)
where:
Base-Base interactions energy: -1410.040
where: short stacking energy: -579.485
Base-Backbone interact. energy: 3.121
local terms energy: -605.231510
where:
bonds (distance) C4'-P energy: -119.663
bonds (distance) P-C4' energy: -125.332
flat angles C4'-P-C4' energy: -136.460
flat angles P-C4'-P energy: -86.654
tors. eta vs tors. theta energy: -137.123
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: 9, replica: 2
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -1985.355799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.355799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.042065 (E_RNA)
where:
Base-Base interactions energy: -1353.361
where: short stacking energy: -568.960
Base-Backbone interact. energy: -5.424
local terms energy: -628.257171
where:
bonds (distance) C4'-P energy: -136.267
bonds (distance) P-C4' energy: -132.541
flat angles C4'-P-C4' energy: -120.756
flat angles P-C4'-P energy: -92.648
tors. eta vs tors. theta energy: -146.045
Dist. restrs. and SS energy: 1.686 (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: 3
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -1900.275071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.275071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.993026 (E_RNA)
where:
Base-Base interactions energy: -1311.423
where: short stacking energy: -523.151
Base-Backbone interact. energy: 3.655
local terms energy: -595.224774
where:
bonds (distance) C4'-P energy: -138.285
bonds (distance) P-C4' energy: -131.564
flat angles C4'-P-C4' energy: -139.652
flat angles P-C4'-P energy: -65.804
tors. eta vs tors. theta energy: -119.920
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: 1, replica: 9
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -2984.338235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2984.338235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2985.287288 (E_RNA)
where:
Base-Base interactions energy: -2094.183
where: short stacking energy: -834.295
Base-Backbone interact. energy: 1.488
local terms energy: -892.593279
where:
bonds (distance) C4'-P energy: -166.777
bonds (distance) P-C4' energy: -163.937
flat angles C4'-P-C4' energy: -186.585
flat angles P-C4'-P energy: -134.324
tors. eta vs tors. theta energy: -240.970
Dist. restrs. and SS energy: 0.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -2795.261934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.261934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.787013 (E_RNA)
where:
Base-Base interactions energy: -1920.567
where: short stacking energy: -805.215
Base-Backbone interact. energy: -1.465
local terms energy: -874.754767
where:
bonds (distance) C4'-P energy: -166.372
bonds (distance) P-C4' energy: -161.100
flat angles C4'-P-C4' energy: -186.147
flat angles P-C4'-P energy: -128.550
tors. eta vs tors. theta energy: -232.585
Dist. restrs. and SS energy: 1.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -2574.195303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.195303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.596075 (E_RNA)
where:
Base-Base interactions energy: -1742.710
where: short stacking energy: -765.217
Base-Backbone interact. energy: -0.009
local terms energy: -832.876457
where:
bonds (distance) C4'-P energy: -164.341
bonds (distance) P-C4' energy: -138.743
flat angles C4'-P-C4' energy: -178.084
flat angles P-C4'-P energy: -119.070
tors. eta vs tors. theta energy: -232.639
Dist. restrs. and SS energy: 1.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -2532.915914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.915914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.515969 (E_RNA)
where:
Base-Base interactions energy: -1742.744
where: short stacking energy: -743.728
Base-Backbone interact. energy: -1.740
local terms energy: -790.031254
where:
bonds (distance) C4'-P energy: -146.569
bonds (distance) P-C4' energy: -147.700
flat angles C4'-P-C4' energy: -151.224
flat angles P-C4'-P energy: -116.825
tors. eta vs tors. theta energy: -227.713
Dist. restrs. and SS energy: 1.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -2402.456368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.456368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.452645 (E_RNA)
where:
Base-Base interactions energy: -1645.667
where: short stacking energy: -702.180
Base-Backbone interact. energy: -0.234
local terms energy: -758.551595
where:
bonds (distance) C4'-P energy: -153.807
bonds (distance) P-C4' energy: -142.903
flat angles C4'-P-C4' energy: -169.619
flat angles P-C4'-P energy: -95.803
tors. eta vs tors. theta energy: -196.420
Dist. restrs. and SS energy: 1.996 (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: 10
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -2162.593066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.593066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.272971 (E_RNA)
where:
Base-Base interactions energy: -1438.176
where: short stacking energy: -629.240
Base-Backbone interact. energy: -4.109
local terms energy: -721.987569
where:
bonds (distance) C4'-P energy: -144.854
bonds (distance) P-C4' energy: -139.918
flat angles C4'-P-C4' energy: -163.056
flat angles P-C4'-P energy: -101.580
tors. eta vs tors. theta energy: -172.580
Dist. restrs. and SS energy: 1.680 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -2152.075092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.075092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.001157 (E_RNA)
where:
Base-Base interactions energy: -1463.689
where: short stacking energy: -627.147
Base-Backbone interact. energy: -2.914
local terms energy: -687.397844
where:
bonds (distance) C4'-P energy: -149.757
bonds (distance) P-C4' energy: -122.000
flat angles C4'-P-C4' energy: -163.102
flat angles P-C4'-P energy: -94.644
tors. eta vs tors. theta energy: -157.895
Dist. restrs. and SS energy: 1.926 (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: 8
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -2045.522266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.522266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.660293 (E_RNA)
where:
Base-Base interactions energy: -1336.893
where: short stacking energy: -560.605
Base-Backbone interact. energy: -1.903
local terms energy: -708.864792
where:
bonds (distance) C4'-P energy: -154.443
bonds (distance) P-C4' energy: -129.328
flat angles C4'-P-C4' energy: -155.399
flat angles P-C4'-P energy: -107.098
tors. eta vs tors. theta energy: -162.597
Dist. restrs. and SS energy: 2.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -1953.681415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.681415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.916389 (E_RNA)
where:
Base-Base interactions energy: -1335.742
where: short stacking energy: -539.984
Base-Backbone interact. energy: -3.658
local terms energy: -616.516516
where:
bonds (distance) C4'-P energy: -118.023
bonds (distance) P-C4' energy: -139.879
flat angles C4'-P-C4' energy: -132.012
flat angles P-C4'-P energy: -86.782
tors. eta vs tors. theta energy: -139.820
Dist. restrs. and SS energy: 2.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -1838.329852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.329852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.569686 (E_RNA)
where:
Base-Base interactions energy: -1222.972
where: short stacking energy: -501.743
Base-Backbone interact. energy: 5.364
local terms energy: -626.961017
where:
bonds (distance) C4'-P energy: -136.865
bonds (distance) P-C4' energy: -151.785
flat angles C4'-P-C4' energy: -137.181
flat angles P-C4'-P energy: -89.833
tors. eta vs tors. theta energy: -111.297
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: 1, replica: 9
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -3001.581645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3001.581645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3003.152319 (E_RNA)
where:
Base-Base interactions energy: -2111.001
where: short stacking energy: -866.933
Base-Backbone interact. energy: -2.991
local terms energy: -889.160455
where:
bonds (distance) C4'-P energy: -150.578
bonds (distance) P-C4' energy: -154.397
flat angles C4'-P-C4' energy: -196.858
flat angles P-C4'-P energy: -135.944
tors. eta vs tors. theta energy: -251.383
Dist. restrs. and SS energy: 1.571 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -2784.469512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.469512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.975171 (E_RNA)
where:
Base-Base interactions energy: -1941.519
where: short stacking energy: -809.179
Base-Backbone interact. energy: -1.324
local terms energy: -844.132254
where:
bonds (distance) C4'-P energy: -150.944
bonds (distance) P-C4' energy: -163.426
flat angles C4'-P-C4' energy: -188.102
flat angles P-C4'-P energy: -103.167
tors. eta vs tors. theta energy: -238.493
Dist. restrs. and SS energy: 2.506 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -2563.542894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.542894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.529260 (E_RNA)
where:
Base-Base interactions energy: -1771.735
where: short stacking energy: -754.336
Base-Backbone interact. energy: 3.047
local terms energy: -795.840629
where:
bonds (distance) C4'-P energy: -149.129
bonds (distance) P-C4' energy: -144.666
flat angles C4'-P-C4' energy: -173.700
flat angles P-C4'-P energy: -118.944
tors. eta vs tors. theta energy: -209.402
Dist. restrs. and SS energy: 0.986 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -2466.987884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.987884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.194478 (E_RNA)
where:
Base-Base interactions energy: -1701.596
where: short stacking energy: -734.859
Base-Backbone interact. energy: -2.399
local terms energy: -765.199002
where:
bonds (distance) C4'-P energy: -160.469
bonds (distance) P-C4' energy: -149.254
flat angles C4'-P-C4' energy: -159.998
flat angles P-C4'-P energy: -101.924
tors. eta vs tors. theta energy: -193.554
Dist. restrs. and SS energy: 2.207 (S_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: 196
Temperature: 1.100000
Total energy: -2417.016883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.016883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.512878 (E_RNA)
where:
Base-Base interactions energy: -1661.641
where: short stacking energy: -719.086
Base-Backbone interact. energy: -0.293
local terms energy: -757.578737
where:
bonds (distance) C4'-P energy: -131.707
bonds (distance) P-C4' energy: -140.626
flat angles C4'-P-C4' energy: -155.295
flat angles P-C4'-P energy: -120.878
tors. eta vs tors. theta energy: -209.072
Dist. restrs. and SS energy: 2.496 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -2219.118511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.118511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.877295 (E_RNA)
where:
Base-Base interactions energy: -1490.143
where: short stacking energy: -632.319
Base-Backbone interact. energy: -1.540
local terms energy: -729.194280
where:
bonds (distance) C4'-P energy: -141.639
bonds (distance) P-C4' energy: -151.983
flat angles C4'-P-C4' energy: -155.107
flat angles P-C4'-P energy: -95.078
tors. eta vs tors. theta energy: -185.388
Dist. restrs. and SS energy: 1.759 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -2095.415366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.415366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.851654 (E_RNA)
where:
Base-Base interactions energy: -1403.406
where: short stacking energy: -609.178
Base-Backbone interact. energy: -5.185
local terms energy: -690.260841
where:
bonds (distance) C4'-P energy: -130.854
bonds (distance) P-C4' energy: -136.783
flat angles C4'-P-C4' energy: -146.536
flat angles P-C4'-P energy: -114.475
tors. eta vs tors. theta energy: -161.612
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: 8, replica: 8
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -2047.052981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.052981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.359437 (E_RNA)
where:
Base-Base interactions energy: -1400.051
where: short stacking energy: -578.404
Base-Backbone interact. energy: 0.131
local terms energy: -650.440063
where:
bonds (distance) C4'-P energy: -147.903
bonds (distance) P-C4' energy: -123.213
flat angles C4'-P-C4' energy: -139.020
flat angles P-C4'-P energy: -102.644
tors. eta vs tors. theta energy: -137.661
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: 9, replica: 2
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -1924.205053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.205053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.441299 (E_RNA)
where:
Base-Base interactions energy: -1272.917
where: short stacking energy: -560.789
Base-Backbone interact. energy: -3.617
local terms energy: -652.906928
where:
bonds (distance) C4'-P energy: -129.418
bonds (distance) P-C4' energy: -138.951
flat angles C4'-P-C4' energy: -152.261
flat angles P-C4'-P energy: -78.683
tors. eta vs tors. theta energy: -153.594
Dist. restrs. and SS energy: 5.236 (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: 3
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -1883.526300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.526300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.312748 (E_RNA)
where:
Base-Base interactions energy: -1300.812
where: short stacking energy: -535.205
Base-Backbone interact. energy: -2.245
local terms energy: -583.255870
where:
bonds (distance) C4'-P energy: -118.750
bonds (distance) P-C4' energy: -116.412
flat angles C4'-P-C4' energy: -143.578
flat angles P-C4'-P energy: -74.557
tors. eta vs tors. theta energy: -129.960
Dist. restrs. and SS energy: 2.786 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -2948.372401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2948.372401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2950.282296 (E_RNA)
where:
Base-Base interactions energy: -2081.646
where: short stacking energy: -859.646
Base-Backbone interact. energy: 2.887
local terms energy: -871.523318
where:
bonds (distance) C4'-P energy: -164.420
bonds (distance) P-C4' energy: -154.127
flat angles C4'-P-C4' energy: -187.127
flat angles P-C4'-P energy: -116.622
tors. eta vs tors. theta energy: -249.228
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: 2, replica: 4
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -2801.545822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2801.545822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.127374 (E_RNA)
where:
Base-Base interactions energy: -1933.978
where: short stacking energy: -807.260
Base-Backbone interact. energy: -4.036
local terms energy: -865.114041
where:
bonds (distance) C4'-P energy: -156.850
bonds (distance) P-C4' energy: -163.975
flat angles C4'-P-C4' energy: -181.119
flat angles P-C4'-P energy: -113.193
tors. eta vs tors. theta energy: -249.976
Dist. restrs. and SS energy: 1.582 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -2568.163510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.163510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.026036 (E_RNA)
where:
Base-Base interactions energy: -1731.492
where: short stacking energy: -735.245
Base-Backbone interact. energy: 2.302
local terms energy: -841.835399
where:
bonds (distance) C4'-P energy: -154.147
bonds (distance) P-C4' energy: -168.162
flat angles C4'-P-C4' energy: -173.857
flat angles P-C4'-P energy: -129.061
tors. eta vs tors. theta energy: -216.608
Dist. restrs. and SS energy: 2.863 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -2472.142197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.142197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.967375 (E_RNA)
where:
Base-Base interactions energy: -1667.484
where: short stacking energy: -715.422
Base-Backbone interact. energy: -5.601
local terms energy: -801.882310
where:
bonds (distance) C4'-P energy: -155.867
bonds (distance) P-C4' energy: -156.024
flat angles C4'-P-C4' energy: -173.700
flat angles P-C4'-P energy: -110.562
tors. eta vs tors. theta energy: -205.730
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: 5, replica: 7
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -2461.475912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.475912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.367895 (E_RNA)
where:
Base-Base interactions energy: -1662.998
where: short stacking energy: -737.257
Base-Backbone interact. energy: -1.721
local terms energy: -798.649773
where:
bonds (distance) C4'-P energy: -136.737
bonds (distance) P-C4' energy: -154.924
flat angles C4'-P-C4' energy: -176.646
flat angles P-C4'-P energy: -107.278
tors. eta vs tors. theta energy: -223.064
Dist. restrs. and SS energy: 1.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -2275.099313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.099313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.644527 (E_RNA)
where:
Base-Base interactions energy: -1524.534
where: short stacking energy: -648.905
Base-Backbone interact. energy: 4.904
local terms energy: -757.014260
where:
bonds (distance) C4'-P energy: -140.116
bonds (distance) P-C4' energy: -151.041
flat angles C4'-P-C4' energy: -173.307
flat angles P-C4'-P energy: -112.497
tors. eta vs tors. theta energy: -180.054
Dist. restrs. and SS energy: 1.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -2138.558624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.558624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.847390 (E_RNA)
where:
Base-Base interactions energy: -1444.529
where: short stacking energy: -624.340
Base-Backbone interact. energy: -1.130
local terms energy: -695.189064
where:
bonds (distance) C4'-P energy: -124.634
bonds (distance) P-C4' energy: -142.836
flat angles C4'-P-C4' energy: -153.683
flat angles P-C4'-P energy: -91.257
tors. eta vs tors. theta energy: -182.780
Dist. restrs. and SS energy: 2.289 (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: 8
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -2072.964308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.964308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.491675 (E_RNA)
where:
Base-Base interactions energy: -1376.452
where: short stacking energy: -581.232
Base-Backbone interact. energy: 0.909
local terms energy: -699.948018
where:
bonds (distance) C4'-P energy: -143.819
bonds (distance) P-C4' energy: -129.973
flat angles C4'-P-C4' energy: -166.858
flat angles P-C4'-P energy: -85.797
tors. eta vs tors. theta energy: -173.500
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: 9, replica: 2
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -1956.426962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.426962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.118607 (E_RNA)
where:
Base-Base interactions energy: -1324.531
where: short stacking energy: -533.554
Base-Backbone interact. energy: 3.148
local terms energy: -636.735210
where:
bonds (distance) C4'-P energy: -114.488
bonds (distance) P-C4' energy: -147.515
flat angles C4'-P-C4' energy: -142.708
flat angles P-C4'-P energy: -84.035
tors. eta vs tors. theta energy: -147.989
Dist. restrs. and SS energy: 1.692 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -1830.174073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.174073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.975162 (E_RNA)
where:
Base-Base interactions energy: -1261.704
where: short stacking energy: -514.209
Base-Backbone interact. energy: 0.036
local terms energy: -572.306906
where:
bonds (distance) C4'-P energy: -123.166
bonds (distance) P-C4' energy: -119.024
flat angles C4'-P-C4' energy: -136.023
flat angles P-C4'-P energy: -70.221
tors. eta vs tors. theta energy: -123.873
Dist. restrs. and SS energy: 3.801 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -2967.919525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2967.919525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2969.240072 (E_RNA)
where:
Base-Base interactions energy: -2071.432
where: short stacking energy: -831.893
Base-Backbone interact. energy: -0.370
local terms energy: -897.438083
where:
bonds (distance) C4'-P energy: -168.250
bonds (distance) P-C4' energy: -162.642
flat angles C4'-P-C4' energy: -180.928
flat angles P-C4'-P energy: -127.357
tors. eta vs tors. theta energy: -258.262
Dist. restrs. and SS energy: 1.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -2795.269636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.269636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.539813 (E_RNA)
where:
Base-Base interactions energy: -1958.552
where: short stacking energy: -826.705
Base-Backbone interact. energy: 2.169
local terms energy: -840.156939
where:
bonds (distance) C4'-P energy: -131.557
bonds (distance) P-C4' energy: -166.844
flat angles C4'-P-C4' energy: -172.136
flat angles P-C4'-P energy: -125.001
tors. eta vs tors. theta energy: -244.618
Dist. restrs. and SS energy: 1.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -2621.631796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.631796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.501548 (E_RNA)
where:
Base-Base interactions energy: -1790.586
where: short stacking energy: -787.622
Base-Backbone interact. energy: -3.382
local terms energy: -829.533277
where:
bonds (distance) C4'-P energy: -148.556
bonds (distance) P-C4' energy: -155.662
flat angles C4'-P-C4' energy: -166.993
flat angles P-C4'-P energy: -121.035
tors. eta vs tors. theta energy: -237.287
Dist. restrs. and SS energy: 1.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -2489.166500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.166500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.580498 (E_RNA)
where:
Base-Base interactions energy: -1695.856
where: short stacking energy: -747.447
Base-Backbone interact. energy: -0.433
local terms energy: -794.291171
where:
bonds (distance) C4'-P energy: -148.385
bonds (distance) P-C4' energy: -148.610
flat angles C4'-P-C4' energy: -160.284
flat angles P-C4'-P energy: -123.394
tors. eta vs tors. theta energy: -213.618
Dist. restrs. and SS energy: 1.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -2420.867757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.867757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.896097 (E_RNA)
where:
Base-Base interactions energy: -1658.764
where: short stacking energy: -691.938
Base-Backbone interact. energy: -2.129
local terms energy: -761.002953
where:
bonds (distance) C4'-P energy: -144.132
bonds (distance) P-C4' energy: -151.371
flat angles C4'-P-C4' energy: -168.955
flat angles P-C4'-P energy: -95.531
tors. eta vs tors. theta energy: -201.014
Dist. restrs. and SS energy: 1.028 (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: 10
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -2179.784197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.784197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.543023 (E_RNA)
where:
Base-Base interactions energy: -1475.903
where: short stacking energy: -623.862
Base-Backbone interact. energy: -1.837
local terms energy: -702.802396
where:
bonds (distance) C4'-P energy: -128.786
bonds (distance) P-C4' energy: -139.223
flat angles C4'-P-C4' energy: -164.848
flat angles P-C4'-P energy: -101.937
tors. eta vs tors. theta energy: -168.009
Dist. restrs. and SS energy: 0.759 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -2156.914358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.914358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.516027 (E_RNA)
where:
Base-Base interactions energy: -1439.798
where: short stacking energy: -612.635
Base-Backbone interact. energy: -2.025
local terms energy: -716.693281
where:
bonds (distance) C4'-P energy: -143.804
bonds (distance) P-C4' energy: -153.483
flat angles C4'-P-C4' energy: -141.390
flat angles P-C4'-P energy: -89.964
tors. eta vs tors. theta energy: -188.053
Dist. restrs. and SS energy: 1.602 (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: 8
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -1997.405381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.405381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.025487 (E_RNA)
where:
Base-Base interactions energy: -1365.827
where: short stacking energy: -584.701
Base-Backbone interact. energy: -0.124
local terms energy: -635.074272
where:
bonds (distance) C4'-P energy: -119.309
bonds (distance) P-C4' energy: -120.706
flat angles C4'-P-C4' energy: -146.883
flat angles P-C4'-P energy: -92.590
tors. eta vs tors. theta energy: -155.586
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: 9, replica: 2
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -1963.536574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.536574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.401015 (E_RNA)
where:
Base-Base interactions energy: -1335.567
where: short stacking energy: -536.953
Base-Backbone interact. energy: 3.954
local terms energy: -636.787983
where:
bonds (distance) C4'-P energy: -126.988
bonds (distance) P-C4' energy: -143.411
flat angles C4'-P-C4' energy: -149.853
flat angles P-C4'-P energy: -81.985
tors. eta vs tors. theta energy: -134.550
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: 10, replica: 3
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -1861.023679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.023679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.482602 (E_RNA)
where:
Base-Base interactions energy: -1292.851
where: short stacking energy: -556.250
Base-Backbone interact. energy: -0.981
local terms energy: -570.650302
where:
bonds (distance) C4'-P energy: -140.632
bonds (distance) P-C4' energy: -114.279
flat angles C4'-P-C4' energy: -127.381
flat angles P-C4'-P energy: -62.175
tors. eta vs tors. theta energy: -126.183
Dist. restrs. and SS energy: 3.459 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -2975.090006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2975.090006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2975.469582 (E_RNA)
where:
Base-Base interactions energy: -2057.150
where: short stacking energy: -843.621
Base-Backbone interact. energy: -2.526
local terms energy: -915.793003
where:
bonds (distance) C4'-P energy: -168.791
bonds (distance) P-C4' energy: -179.610
flat angles C4'-P-C4' energy: -185.717
flat angles P-C4'-P energy: -129.113
tors. eta vs tors. theta energy: -252.562
Dist. restrs. and SS energy: 0.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -2788.874751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.874751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.884456 (E_RNA)
where:
Base-Base interactions energy: -1968.625
where: short stacking energy: -814.598
Base-Backbone interact. energy: -3.083
local terms energy: -819.176496
where:
bonds (distance) C4'-P energy: -147.393
bonds (distance) P-C4' energy: -145.267
flat angles C4'-P-C4' energy: -183.802
flat angles P-C4'-P energy: -108.606
tors. eta vs tors. theta energy: -234.109
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: 3, replica: 6
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -2609.854144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.854144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.809719 (E_RNA)
where:
Base-Base interactions energy: -1761.684
where: short stacking energy: -775.069
Base-Backbone interact. energy: -0.440
local terms energy: -848.685652
where:
bonds (distance) C4'-P energy: -146.361
bonds (distance) P-C4' energy: -163.096
flat angles C4'-P-C4' energy: -191.885
flat angles P-C4'-P energy: -118.916
tors. eta vs tors. theta energy: -228.427
Dist. restrs. and SS energy: 0.956 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -2504.540308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.540308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.423805 (E_RNA)
where:
Base-Base interactions energy: -1730.670
where: short stacking energy: -741.612
Base-Backbone interact. energy: -6.004
local terms energy: -770.750701
where:
bonds (distance) C4'-P energy: -145.701
bonds (distance) P-C4' energy: -143.760
flat angles C4'-P-C4' energy: -163.483
flat angles P-C4'-P energy: -104.498
tors. eta vs tors. theta energy: -213.308
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: 5, replica: 7
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -2382.267209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.267209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.424022 (E_RNA)
where:
Base-Base interactions energy: -1590.229
where: short stacking energy: -682.650
Base-Backbone interact. energy: 0.100
local terms energy: -793.295380
where:
bonds (distance) C4'-P energy: -141.867
bonds (distance) P-C4' energy: -165.938
flat angles C4'-P-C4' energy: -177.907
flat angles P-C4'-P energy: -111.500
tors. eta vs tors. theta energy: -196.083
Dist. restrs. and SS energy: 1.157 (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: 1
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -2189.045805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.045805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.567320 (E_RNA)
where:
Base-Base interactions energy: -1472.275
where: short stacking energy: -629.970
Base-Backbone interact. energy: -1.531
local terms energy: -716.761939
where:
bonds (distance) C4'-P energy: -129.506
bonds (distance) P-C4' energy: -131.884
flat angles C4'-P-C4' energy: -175.322
flat angles P-C4'-P energy: -102.903
tors. eta vs tors. theta energy: -177.147
Dist. restrs. and SS energy: 1.522 (S_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: 199
Temperature: 1.200000
Total energy: -2154.578443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.578443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.387732 (E_RNA)
where:
Base-Base interactions energy: -1462.793
where: short stacking energy: -642.261
Base-Backbone interact. energy: 1.408
local terms energy: -695.002809
where:
bonds (distance) C4'-P energy: -140.355
bonds (distance) P-C4' energy: -133.892
flat angles C4'-P-C4' energy: -154.508
flat angles P-C4'-P energy: -98.913
tors. eta vs tors. theta energy: -167.335
Dist. restrs. and SS energy: 1.809 (S_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: 199
Temperature: 1.250000
Total energy: -2046.481605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.481605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.517084 (E_RNA)
where:
Base-Base interactions energy: -1399.855
where: short stacking energy: -610.461
Base-Backbone interact. energy: 3.749
local terms energy: -652.411458
where:
bonds (distance) C4'-P energy: -114.973
bonds (distance) P-C4' energy: -142.894
flat angles C4'-P-C4' energy: -135.204
flat angles P-C4'-P energy: -104.385
tors. eta vs tors. theta energy: -154.955
Dist. restrs. and SS energy: 2.035 (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: 2
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -1970.665615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.665615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.470146 (E_RNA)
where:
Base-Base interactions energy: -1382.785
where: short stacking energy: -568.886
Base-Backbone interact. energy: 5.752
local terms energy: -595.436836
where:
bonds (distance) C4'-P energy: -118.648
bonds (distance) P-C4' energy: -124.222
flat angles C4'-P-C4' energy: -147.847
flat angles P-C4'-P energy: -77.002
tors. eta vs tors. theta energy: -127.718
Dist. restrs. and SS energy: 1.805 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -1914.761850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.761850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.631065 (E_RNA)
where:
Base-Base interactions energy: -1299.368
where: short stacking energy: -536.025
Base-Backbone interact. energy: 7.189
local terms energy: -626.452666
where:
bonds (distance) C4'-P energy: -106.635
bonds (distance) P-C4' energy: -144.381
flat angles C4'-P-C4' energy: -153.873
flat angles P-C4'-P energy: -77.607
tors. eta vs tors. theta energy: -143.956
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: 1, replica: 9
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -2934.536555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2934.536555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2935.549243 (E_RNA)
where:
Base-Base interactions energy: -2044.258
where: short stacking energy: -845.630
Base-Backbone interact. energy: 2.858
local terms energy: -894.149049
where:
bonds (distance) C4'-P energy: -158.583
bonds (distance) P-C4' energy: -169.170
flat angles C4'-P-C4' energy: -187.860
flat angles P-C4'-P energy: -127.128
tors. eta vs tors. theta energy: -251.409
Dist. restrs. and SS energy: 1.013 (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: 4
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -2775.189820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.189820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.747112 (E_RNA)
where:
Base-Base interactions energy: -1929.056
where: short stacking energy: -799.365
Base-Backbone interact. energy: -2.625
local terms energy: -846.066138
where:
bonds (distance) C4'-P energy: -156.001
bonds (distance) P-C4' energy: -151.274
flat angles C4'-P-C4' energy: -183.011
flat angles P-C4'-P energy: -112.334
tors. eta vs tors. theta energy: -243.446
Dist. restrs. and SS energy: 2.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -2617.504839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.504839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.220732 (E_RNA)
where:
Base-Base interactions energy: -1761.828
where: short stacking energy: -799.916
Base-Backbone interact. energy: -1.669
local terms energy: -856.724159
where:
bonds (distance) C4'-P energy: -160.693
bonds (distance) P-C4' energy: -162.133
flat angles C4'-P-C4' energy: -180.968
flat angles P-C4'-P energy: -110.587
tors. eta vs tors. theta energy: -242.343
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: 4, replica: 5
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -2470.091118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.091118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.356095 (E_RNA)
where:
Base-Base interactions energy: -1678.919
where: short stacking energy: -711.761
Base-Backbone interact. energy: 0.423
local terms energy: -793.860680
where:
bonds (distance) C4'-P energy: -158.014
bonds (distance) P-C4' energy: -158.706
flat angles C4'-P-C4' energy: -166.815
flat angles P-C4'-P energy: -108.686
tors. eta vs tors. theta energy: -201.640
Dist. restrs. and SS energy: 2.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -2329.242608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.242608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.047179 (E_RNA)
where:
Base-Base interactions energy: -1581.777
where: short stacking energy: -688.796
Base-Backbone interact. energy: 0.662
local terms energy: -750.932043
where:
bonds (distance) C4'-P energy: -149.921
bonds (distance) P-C4' energy: -149.817
flat angles C4'-P-C4' energy: -147.153
flat angles P-C4'-P energy: -104.261
tors. eta vs tors. theta energy: -199.779
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: 6, replica: 1
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -2186.772828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.772828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.264431 (E_RNA)
where:
Base-Base interactions energy: -1481.566
where: short stacking energy: -648.817
Base-Backbone interact. energy: -2.354
local terms energy: -704.344187
where:
bonds (distance) C4'-P energy: -131.913
bonds (distance) P-C4' energy: -153.696
flat angles C4'-P-C4' energy: -139.822
flat angles P-C4'-P energy: -98.251
tors. eta vs tors. theta energy: -180.662
Dist. restrs. and SS energy: 1.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -2087.694946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.694946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.114740 (E_RNA)
where:
Base-Base interactions energy: -1398.550
where: short stacking energy: -601.763
Base-Backbone interact. energy: 4.106
local terms energy: -696.670568
where:
bonds (distance) C4'-P energy: -125.529
bonds (distance) P-C4' energy: -135.635
flat angles C4'-P-C4' energy: -149.492
flat angles P-C4'-P energy: -113.351
tors. eta vs tors. theta energy: -172.664
Dist. restrs. and SS energy: 3.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -2023.917136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.917136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.914604 (E_RNA)
where:
Base-Base interactions energy: -1368.492
where: short stacking energy: -579.428
Base-Backbone interact. energy: -2.491
local terms energy: -654.931575
where:
bonds (distance) C4'-P energy: -141.979
bonds (distance) P-C4' energy: -131.689
flat angles C4'-P-C4' energy: -127.949
flat angles P-C4'-P energy: -95.681
tors. eta vs tors. theta energy: -157.633
Dist. restrs. and SS energy: 1.997 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -1959.902539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.902539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.509935 (E_RNA)
where:
Base-Base interactions energy: -1315.033
where: short stacking energy: -533.215
Base-Backbone interact. energy: -2.240
local terms energy: -644.236701
where:
bonds (distance) C4'-P energy: -157.890
bonds (distance) P-C4' energy: -124.617
flat angles C4'-P-C4' energy: -126.519
flat angles P-C4'-P energy: -87.883
tors. eta vs tors. theta energy: -147.327
Dist. restrs. and SS energy: 1.607 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -1893.680617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.680617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.423022 (E_RNA)
where:
Base-Base interactions energy: -1317.210
where: short stacking energy: -549.180
Base-Backbone interact. energy: -2.442
local terms energy: -576.770927
where:
bonds (distance) C4'-P energy: -103.014
bonds (distance) P-C4' energy: -125.204
flat angles C4'-P-C4' energy: -127.099
flat angles P-C4'-P energy: -88.512
tors. eta vs tors. theta energy: -132.941
Dist. restrs. and SS energy: 2.742 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -2952.279223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2952.279223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2953.692472 (E_RNA)
where:
Base-Base interactions energy: -2057.594
where: short stacking energy: -870.252
Base-Backbone interact. energy: -2.621
local terms energy: -893.477285
where:
bonds (distance) C4'-P energy: -165.292
bonds (distance) P-C4' energy: -158.822
flat angles C4'-P-C4' energy: -191.394
flat angles P-C4'-P energy: -130.988
tors. eta vs tors. theta energy: -246.981
Dist. restrs. and SS energy: 1.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -2755.765868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.765868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.430626 (E_RNA)
where:
Base-Base interactions energy: -1919.699
where: short stacking energy: -802.473
Base-Backbone interact. energy: -1.330
local terms energy: -836.401759
where:
bonds (distance) C4'-P energy: -165.208
bonds (distance) P-C4' energy: -161.540
flat angles C4'-P-C4' energy: -171.228
flat angles P-C4'-P energy: -119.272
tors. eta vs tors. theta energy: -219.154
Dist. restrs. and SS energy: 1.665 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -2581.259640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.259640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.239225 (E_RNA)
where:
Base-Base interactions energy: -1740.272
where: short stacking energy: -756.980
Base-Backbone interact. energy: -4.349
local terms energy: -838.618377
where:
bonds (distance) C4'-P energy: -161.313
bonds (distance) P-C4' energy: -152.897
flat angles C4'-P-C4' energy: -166.842
flat angles P-C4'-P energy: -121.621
tors. eta vs tors. theta energy: -235.945
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: 4, replica: 5
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -2534.728558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.728558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.402652 (E_RNA)
where:
Base-Base interactions energy: -1722.565
where: short stacking energy: -751.009
Base-Backbone interact. energy: -2.301
local terms energy: -811.536069
where:
bonds (distance) C4'-P energy: -149.277
bonds (distance) P-C4' energy: -170.868
flat angles C4'-P-C4' energy: -171.131
flat angles P-C4'-P energy: -103.073
tors. eta vs tors. theta energy: -217.187
Dist. restrs. and SS energy: 1.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -2354.683696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.683696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.030608 (E_RNA)
where:
Base-Base interactions energy: -1590.549
where: short stacking energy: -679.585
Base-Backbone interact. energy: -2.801
local terms energy: -763.681324
where:
bonds (distance) C4'-P energy: -137.510
bonds (distance) P-C4' energy: -161.228
flat angles C4'-P-C4' energy: -170.234
flat angles P-C4'-P energy: -115.344
tors. eta vs tors. theta energy: -179.366
Dist. restrs. and SS energy: 2.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -2199.802338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.802338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.781995 (E_RNA)
where:
Base-Base interactions energy: -1470.253
where: short stacking energy: -663.306
Base-Backbone interact. energy: 1.486
local terms energy: -732.015113
where:
bonds (distance) C4'-P energy: -132.356
bonds (distance) P-C4' energy: -156.711
flat angles C4'-P-C4' energy: -144.089
flat angles P-C4'-P energy: -103.440
tors. eta vs tors. theta energy: -195.419
Dist. restrs. and SS energy: 0.980 (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: 10
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -2102.817252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.817252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.860953 (E_RNA)
where:
Base-Base interactions energy: -1443.662
where: short stacking energy: -625.232
Base-Backbone interact. energy: 1.675
local terms energy: -662.873431
where:
bonds (distance) C4'-P energy: -124.420
bonds (distance) P-C4' energy: -124.343
flat angles C4'-P-C4' energy: -155.836
flat angles P-C4'-P energy: -88.393
tors. eta vs tors. theta energy: -169.882
Dist. restrs. and SS energy: 2.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -2051.545147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.545147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.904723 (E_RNA)
where:
Base-Base interactions energy: -1390.018
where: short stacking energy: -616.165
Base-Backbone interact. energy: -2.128
local terms energy: -661.758846
where:
bonds (distance) C4'-P energy: -111.953
bonds (distance) P-C4' energy: -152.944
flat angles C4'-P-C4' energy: -146.438
flat angles P-C4'-P energy: -81.795
tors. eta vs tors. theta energy: -168.629
Dist. restrs. and SS energy: 2.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -1957.067279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.067279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.336903 (E_RNA)
where:
Base-Base interactions energy: -1330.006
where: short stacking energy: -560.794
Base-Backbone interact. energy: 1.588
local terms energy: -631.918673
where:
bonds (distance) C4'-P energy: -123.985
bonds (distance) P-C4' energy: -135.090
flat angles C4'-P-C4' energy: -152.537
flat angles P-C4'-P energy: -71.356
tors. eta vs tors. theta energy: -148.951
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: 10, replica: 3
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -1883.057864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.057864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.327757 (E_RNA)
where:
Base-Base interactions energy: -1244.210
where: short stacking energy: -509.281
Base-Backbone interact. energy: -0.516
local terms energy: -642.602325
where:
bonds (distance) C4'-P energy: -139.370
bonds (distance) P-C4' energy: -134.850
flat angles C4'-P-C4' energy: -140.063
flat angles P-C4'-P energy: -100.833
tors. eta vs tors. theta energy: -127.486
Dist. restrs. and SS energy: 4.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -2961.011932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2961.011932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2962.321483 (E_RNA)
where:
Base-Base interactions energy: -2051.681
where: short stacking energy: -857.752
Base-Backbone interact. energy: -1.098
local terms energy: -909.542339
where:
bonds (distance) C4'-P energy: -158.120
bonds (distance) P-C4' energy: -170.248
flat angles C4'-P-C4' energy: -193.025
flat angles P-C4'-P energy: -132.156
tors. eta vs tors. theta energy: -255.993
Dist. restrs. and SS energy: 1.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -2785.746694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.746694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.982873 (E_RNA)
where:
Base-Base interactions energy: -1940.340
where: short stacking energy: -807.336
Base-Backbone interact. energy: 1.803
local terms energy: -848.445731
where:
bonds (distance) C4'-P energy: -150.303
bonds (distance) P-C4' energy: -155.652
flat angles C4'-P-C4' energy: -183.422
flat angles P-C4'-P energy: -124.857
tors. eta vs tors. theta energy: -234.211
Dist. restrs. and SS energy: 1.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -2597.151317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.151317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.953372 (E_RNA)
where:
Base-Base interactions energy: -1774.147
where: short stacking energy: -784.389
Base-Backbone interact. energy: 1.168
local terms energy: -825.973651
where:
bonds (distance) C4'-P energy: -146.524
bonds (distance) P-C4' energy: -156.744
flat angles C4'-P-C4' energy: -179.996
flat angles P-C4'-P energy: -111.549
tors. eta vs tors. theta energy: -231.161
Dist. restrs. and SS energy: 1.802 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -2500.460576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.460576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.536084 (E_RNA)
where:
Base-Base interactions energy: -1756.445
where: short stacking energy: -750.647
Base-Backbone interact. energy: 1.288
local terms energy: -747.378808
where:
bonds (distance) C4'-P energy: -133.198
bonds (distance) P-C4' energy: -144.000
flat angles C4'-P-C4' energy: -160.827
flat angles P-C4'-P energy: -89.881
tors. eta vs tors. theta energy: -219.473
Dist. restrs. and SS energy: 2.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -2345.427713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.427713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.844181 (E_RNA)
where:
Base-Base interactions energy: -1584.141
where: short stacking energy: -668.017
Base-Backbone interact. energy: -3.253
local terms energy: -761.450261
where:
bonds (distance) C4'-P energy: -151.320
bonds (distance) P-C4' energy: -153.767
flat angles C4'-P-C4' energy: -165.406
flat angles P-C4'-P energy: -108.885
tors. eta vs tors. theta energy: -182.073
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: 1
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -2201.264211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.264211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.734384 (E_RNA)
where:
Base-Base interactions energy: -1493.922
where: short stacking energy: -646.786
Base-Backbone interact. energy: 0.950
local terms energy: -709.761523
where:
bonds (distance) C4'-P energy: -109.456
bonds (distance) P-C4' energy: -139.683
flat angles C4'-P-C4' energy: -156.374
flat angles P-C4'-P energy: -113.267
tors. eta vs tors. theta energy: -190.981
Dist. restrs. and SS energy: 1.470 (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: 10
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -2108.613843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.613843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.061770 (E_RNA)
where:
Base-Base interactions energy: -1433.042
where: short stacking energy: -615.657
Base-Backbone interact. energy: -1.109
local terms energy: -676.910763
where:
bonds (distance) C4'-P energy: -133.103
bonds (distance) P-C4' energy: -141.213
flat angles C4'-P-C4' energy: -144.465
flat angles P-C4'-P energy: -79.797
tors. eta vs tors. theta energy: -178.333
Dist. restrs. and SS energy: 2.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -2035.785235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.785235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.980034 (E_RNA)
where:
Base-Base interactions energy: -1402.507
where: short stacking energy: -593.402
Base-Backbone interact. energy: 1.209
local terms energy: -636.682131
where:
bonds (distance) C4'-P energy: -128.667
bonds (distance) P-C4' energy: -136.603
flat angles C4'-P-C4' energy: -145.412
flat angles P-C4'-P energy: -80.717
tors. eta vs tors. theta energy: -145.283
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: 9, replica: 3
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -1919.143396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.143396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.085141 (E_RNA)
where:
Base-Base interactions energy: -1302.168
where: short stacking energy: -545.617
Base-Backbone interact. energy: 0.325
local terms energy: -621.242310
where:
bonds (distance) C4'-P energy: -115.960
bonds (distance) P-C4' energy: -129.850
flat angles C4'-P-C4' energy: -157.043
flat angles P-C4'-P energy: -88.046
tors. eta vs tors. theta energy: -130.344
Dist. restrs. and SS energy: 3.942 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -1906.937723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.937723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.411509 (E_RNA)
where:
Base-Base interactions energy: -1288.448
where: short stacking energy: -531.748
Base-Backbone interact. energy: -2.291
local terms energy: -620.672567
where:
bonds (distance) C4'-P energy: -115.632
bonds (distance) P-C4' energy: -123.342
flat angles C4'-P-C4' energy: -148.057
flat angles P-C4'-P energy: -94.457
tors. eta vs tors. theta energy: -139.184
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: 1, replica: 9
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -2931.992109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2931.992109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2933.126422 (E_RNA)
where:
Base-Base interactions energy: -2041.912
where: short stacking energy: -853.023
Base-Backbone interact. energy: -2.486
local terms energy: -888.728558
where:
bonds (distance) C4'-P energy: -158.727
bonds (distance) P-C4' energy: -161.101
flat angles C4'-P-C4' energy: -186.545
flat angles P-C4'-P energy: -120.947
tors. eta vs tors. theta energy: -261.408
Dist. restrs. and SS energy: 1.134 (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: 4
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -2758.974429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.974429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.044690 (E_RNA)
where:
Base-Base interactions energy: -1893.898
where: short stacking energy: -813.347
Base-Backbone interact. energy: 9.749
local terms energy: -877.895586
where:
bonds (distance) C4'-P energy: -160.896
bonds (distance) P-C4' energy: -158.820
flat angles C4'-P-C4' energy: -183.985
flat angles P-C4'-P energy: -132.900
tors. eta vs tors. theta energy: -241.295
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: 6
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -2593.180982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.180982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.164299 (E_RNA)
where:
Base-Base interactions energy: -1771.175
where: short stacking energy: -755.811
Base-Backbone interact. energy: 3.822
local terms energy: -827.811611
where:
bonds (distance) C4'-P energy: -157.071
bonds (distance) P-C4' energy: -148.232
flat angles C4'-P-C4' energy: -172.827
flat angles P-C4'-P energy: -118.459
tors. eta vs tors. theta energy: -231.223
Dist. restrs. and SS energy: 1.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -2506.808971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.808971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.133241 (E_RNA)
where:
Base-Base interactions energy: -1723.919
where: short stacking energy: -728.830
Base-Backbone interact. energy: -3.730
local terms energy: -780.484875
where:
bonds (distance) C4'-P energy: -153.095
bonds (distance) P-C4' energy: -131.942
flat angles C4'-P-C4' energy: -163.539
flat angles P-C4'-P energy: -118.002
tors. eta vs tors. theta energy: -213.906
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: 7
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -2327.221198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.221198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.346337 (E_RNA)
where:
Base-Base interactions energy: -1580.386
where: short stacking energy: -676.671
Base-Backbone interact. energy: 1.752
local terms energy: -750.712218
where:
bonds (distance) C4'-P energy: -135.408
bonds (distance) P-C4' energy: -154.321
flat angles C4'-P-C4' energy: -163.889
flat angles P-C4'-P energy: -109.409
tors. eta vs tors. theta energy: -187.684
Dist. restrs. and SS energy: 2.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -2198.453057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.453057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.423284 (E_RNA)
where:
Base-Base interactions energy: -1507.079
where: short stacking energy: -660.569
Base-Backbone interact. energy: -3.777
local terms energy: -689.566988
where:
bonds (distance) C4'-P energy: -140.708
bonds (distance) P-C4' energy: -114.200
flat angles C4'-P-C4' energy: -157.066
flat angles P-C4'-P energy: -107.274
tors. eta vs tors. theta energy: -170.319
Dist. restrs. and SS energy: 1.970 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -2139.909849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.909849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.701580 (E_RNA)
where:
Base-Base interactions energy: -1460.109
where: short stacking energy: -636.588
Base-Backbone interact. energy: -2.160
local terms energy: -679.432756
where:
bonds (distance) C4'-P energy: -128.619
bonds (distance) P-C4' energy: -119.249
flat angles C4'-P-C4' energy: -166.747
flat angles P-C4'-P energy: -91.589
tors. eta vs tors. theta energy: -173.230
Dist. restrs. and SS energy: 1.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -2024.067548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.067548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.948927 (E_RNA)
where:
Base-Base interactions energy: -1366.444
where: short stacking energy: -574.415
Base-Backbone interact. energy: -0.107
local terms energy: -659.397521
where:
bonds (distance) C4'-P energy: -124.883
bonds (distance) P-C4' energy: -136.078
flat angles C4'-P-C4' energy: -137.577
flat angles P-C4'-P energy: -98.339
tors. eta vs tors. theta energy: -162.520
Dist. restrs. and SS energy: 1.881 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -1901.908493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.908493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.358355 (E_RNA)
where:
Base-Base interactions energy: -1301.251
where: short stacking energy: -559.084
Base-Backbone interact. energy: -0.376
local terms energy: -603.730996
where:
bonds (distance) C4'-P energy: -110.855
bonds (distance) P-C4' energy: -125.357
flat angles C4'-P-C4' energy: -144.003
flat angles P-C4'-P energy: -89.425
tors. eta vs tors. theta energy: -134.090
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: 10, replica: 2
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -1899.652916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.652916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.197381 (E_RNA)
where:
Base-Base interactions energy: -1324.000
where: short stacking energy: -541.650
Base-Backbone interact. energy: 1.356
local terms energy: -581.553058
where:
bonds (distance) C4'-P energy: -113.385
bonds (distance) P-C4' energy: -115.401
flat angles C4'-P-C4' energy: -138.779
flat angles P-C4'-P energy: -67.254
tors. eta vs tors. theta energy: -146.734
Dist. restrs. and SS energy: 4.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -2962.124284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2962.124284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2964.315011 (E_RNA)
where:
Base-Base interactions energy: -2065.863
where: short stacking energy: -883.436
Base-Backbone interact. energy: -1.047
local terms energy: -897.405009
where:
bonds (distance) C4'-P energy: -156.865
bonds (distance) P-C4' energy: -159.621
flat angles C4'-P-C4' energy: -196.009
flat angles P-C4'-P energy: -123.787
tors. eta vs tors. theta energy: -261.123
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: 2, replica: 4
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -2774.122647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.122647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.855234 (E_RNA)
where:
Base-Base interactions energy: -1939.716
where: short stacking energy: -801.724
Base-Backbone interact. energy: -5.256
local terms energy: -832.883662
where:
bonds (distance) C4'-P energy: -159.308
bonds (distance) P-C4' energy: -148.616
flat angles C4'-P-C4' energy: -176.373
flat angles P-C4'-P energy: -118.293
tors. eta vs tors. theta energy: -230.294
Dist. restrs. and SS energy: 3.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -2629.682442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.682442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.205224 (E_RNA)
where:
Base-Base interactions energy: -1817.321
where: short stacking energy: -782.700
Base-Backbone interact. energy: -4.184
local terms energy: -809.700475
where:
bonds (distance) C4'-P energy: -128.573
bonds (distance) P-C4' energy: -150.286
flat angles C4'-P-C4' energy: -180.778
flat angles P-C4'-P energy: -109.690
tors. eta vs tors. theta energy: -240.374
Dist. restrs. and SS energy: 1.523 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -2557.049296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.049296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.823595 (E_RNA)
where:
Base-Base interactions energy: -1760.225
where: short stacking energy: -735.375
Base-Backbone interact. energy: -1.775
local terms energy: -796.824009
where:
bonds (distance) C4'-P energy: -152.155
bonds (distance) P-C4' energy: -143.597
flat angles C4'-P-C4' energy: -174.421
flat angles P-C4'-P energy: -111.380
tors. eta vs tors. theta energy: -215.271
Dist. restrs. and SS energy: 1.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -2356.116669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.116669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.893382 (E_RNA)
where:
Base-Base interactions energy: -1612.248
where: short stacking energy: -681.093
Base-Backbone interact. energy: 2.370
local terms energy: -748.015437
where:
bonds (distance) C4'-P energy: -139.009
bonds (distance) P-C4' energy: -137.713
flat angles C4'-P-C4' energy: -171.272
flat angles P-C4'-P energy: -108.742
tors. eta vs tors. theta energy: -191.279
Dist. restrs. and SS energy: 1.777 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -2223.580142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.580142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.921639 (E_RNA)
where:
Base-Base interactions energy: -1501.333
where: short stacking energy: -623.114
Base-Backbone interact. energy: 1.838
local terms energy: -726.426466
where:
bonds (distance) C4'-P energy: -151.217
bonds (distance) P-C4' energy: -141.785
flat angles C4'-P-C4' energy: -167.350
flat angles P-C4'-P energy: -93.394
tors. eta vs tors. theta energy: -172.680
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: 7, replica: 8
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -2069.469984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.469984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.552684 (E_RNA)
where:
Base-Base interactions energy: -1404.153
where: short stacking energy: -602.374
Base-Backbone interact. energy: 5.389
local terms energy: -672.788451
where:
bonds (distance) C4'-P energy: -133.431
bonds (distance) P-C4' energy: -142.709
flat angles C4'-P-C4' energy: -147.246
flat angles P-C4'-P energy: -96.456
tors. eta vs tors. theta energy: -152.946
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: 8, replica: 10
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -2057.783708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.783708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.338504 (E_RNA)
where:
Base-Base interactions energy: -1401.721
where: short stacking energy: -593.526
Base-Backbone interact. energy: -2.047
local terms energy: -656.569726
where:
bonds (distance) C4'-P energy: -118.309
bonds (distance) P-C4' energy: -139.448
flat angles C4'-P-C4' energy: -151.545
flat angles P-C4'-P energy: -87.343
tors. eta vs tors. theta energy: -159.924
Dist. restrs. and SS energy: 2.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -2006.687028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.687028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.260908 (E_RNA)
where:
Base-Base interactions energy: -1356.452
where: short stacking energy: -596.475
Base-Backbone interact. energy: -0.397
local terms energy: -652.412099
where:
bonds (distance) C4'-P energy: -112.406
bonds (distance) P-C4' energy: -139.355
flat angles C4'-P-C4' energy: -149.704
flat angles P-C4'-P energy: -114.056
tors. eta vs tors. theta energy: -136.891
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: 10, replica: 3
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -1823.935713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.935713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.628732 (E_RNA)
where:
Base-Base interactions energy: -1267.437
where: short stacking energy: -533.889
Base-Backbone interact. energy: 1.270
local terms energy: -560.461235
where:
bonds (distance) C4'-P energy: -100.016
bonds (distance) P-C4' energy: -124.705
flat angles C4'-P-C4' energy: -133.767
flat angles P-C4'-P energy: -71.955
tors. eta vs tors. theta energy: -130.020
Dist. restrs. and SS energy: 2.693 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -2983.125191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2983.125191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2986.144191 (E_RNA)
where:
Base-Base interactions energy: -2088.608
where: short stacking energy: -876.029
Base-Backbone interact. energy: 4.410
local terms energy: -901.946611
where:
bonds (distance) C4'-P energy: -165.149
bonds (distance) P-C4' energy: -160.985
flat angles C4'-P-C4' energy: -189.167
flat angles P-C4'-P energy: -132.070
tors. eta vs tors. theta energy: -254.576
Dist. restrs. and SS energy: 3.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -2788.333858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.333858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.391253 (E_RNA)
where:
Base-Base interactions energy: -1934.198
where: short stacking energy: -783.409
Base-Backbone interact. energy: -2.977
local terms energy: -853.216383
where:
bonds (distance) C4'-P energy: -158.226
bonds (distance) P-C4' energy: -175.028
flat angles C4'-P-C4' energy: -187.173
flat angles P-C4'-P energy: -109.395
tors. eta vs tors. theta energy: -223.395
Dist. restrs. and SS energy: 2.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -2590.856631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.856631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.245205 (E_RNA)
where:
Base-Base interactions energy: -1761.911
where: short stacking energy: -769.356
Base-Backbone interact. energy: -0.460
local terms energy: -829.873949
where:
bonds (distance) C4'-P energy: -159.103
bonds (distance) P-C4' energy: -145.310
flat angles C4'-P-C4' energy: -168.314
flat angles P-C4'-P energy: -129.982
tors. eta vs tors. theta energy: -227.165
Dist. restrs. and SS energy: 1.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -2500.081903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.081903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.909484 (E_RNA)
where:
Base-Base interactions energy: -1708.921
where: short stacking energy: -732.176
Base-Backbone interact. energy: 3.869
local terms energy: -796.857084
where:
bonds (distance) C4'-P energy: -148.081
bonds (distance) P-C4' energy: -149.892
flat angles C4'-P-C4' energy: -168.531
flat angles P-C4'-P energy: -113.373
tors. eta vs tors. theta energy: -216.981
Dist. restrs. and SS energy: 1.828 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -2366.259237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.259237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.722000 (E_RNA)
where:
Base-Base interactions energy: -1624.475
where: short stacking energy: -693.285
Base-Backbone interact. energy: 2.476
local terms energy: -746.722624
where:
bonds (distance) C4'-P energy: -141.802
bonds (distance) P-C4' energy: -150.694
flat angles C4'-P-C4' energy: -163.070
flat angles P-C4'-P energy: -92.143
tors. eta vs tors. theta energy: -199.014
Dist. restrs. and SS energy: 2.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -2252.800405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.800405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.373797 (E_RNA)
where:
Base-Base interactions energy: -1542.499
where: short stacking energy: -676.477
Base-Backbone interact. energy: -0.008
local terms energy: -712.866381
where:
bonds (distance) C4'-P energy: -147.610
bonds (distance) P-C4' energy: -140.019
flat angles C4'-P-C4' energy: -145.445
flat angles P-C4'-P energy: -91.726
tors. eta vs tors. theta energy: -188.068
Dist. restrs. and SS energy: 2.573 (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: 8
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -2109.574499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.574499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.452113 (E_RNA)
where:
Base-Base interactions energy: -1432.407
where: short stacking energy: -632.930
Base-Backbone interact. energy: 0.231
local terms energy: -680.276042
where:
bonds (distance) C4'-P energy: -133.856
bonds (distance) P-C4' energy: -139.174
flat angles C4'-P-C4' energy: -152.455
flat angles P-C4'-P energy: -88.473
tors. eta vs tors. theta energy: -166.318
Dist. restrs. and SS energy: 2.878 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -2033.491662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.491662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.670824 (E_RNA)
where:
Base-Base interactions energy: -1384.070
where: short stacking energy: -585.689
Base-Backbone interact. energy: -3.183
local terms energy: -648.418614
where:
bonds (distance) C4'-P energy: -116.000
bonds (distance) P-C4' energy: -123.365
flat angles C4'-P-C4' energy: -154.762
flat angles P-C4'-P energy: -94.085
tors. eta vs tors. theta energy: -160.206
Dist. restrs. and SS energy: 2.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -1976.472196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.472196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.295780 (E_RNA)
where:
Base-Base interactions energy: -1369.704
where: short stacking energy: -562.354
Base-Backbone interact. energy: 10.654
local terms energy: -621.246346
where:
bonds (distance) C4'-P energy: -108.147
bonds (distance) P-C4' energy: -122.353
flat angles C4'-P-C4' energy: -143.367
flat angles P-C4'-P energy: -101.755
tors. eta vs tors. theta energy: -145.624
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: 10, replica: 3
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -1819.588125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.588125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.922396 (E_RNA)
where:
Base-Base interactions energy: -1204.187
where: short stacking energy: -489.243
Base-Backbone interact. energy: 0.051
local terms energy: -623.786550
where:
bonds (distance) C4'-P energy: -148.255
bonds (distance) P-C4' energy: -123.987
flat angles C4'-P-C4' energy: -126.532
flat angles P-C4'-P energy: -104.754
tors. eta vs tors. theta energy: -120.258
Dist. restrs. and SS energy: 8.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -2970.847929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2970.847929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2972.814190 (E_RNA)
where:
Base-Base interactions energy: -2093.934
where: short stacking energy: -856.471
Base-Backbone interact. energy: -3.309
local terms energy: -875.570700
where:
bonds (distance) C4'-P energy: -155.668
bonds (distance) P-C4' energy: -150.894
flat angles C4'-P-C4' energy: -190.151
flat angles P-C4'-P energy: -127.260
tors. eta vs tors. theta energy: -251.598
Dist. restrs. and SS energy: 1.966 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -2771.729420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2771.729420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2773.077129 (E_RNA)
where:
Base-Base interactions energy: -1922.769
where: short stacking energy: -794.116
Base-Backbone interact. energy: -3.902
local terms energy: -846.406716
where:
bonds (distance) C4'-P energy: -164.672
bonds (distance) P-C4' energy: -152.852
flat angles C4'-P-C4' energy: -186.005
flat angles P-C4'-P energy: -119.954
tors. eta vs tors. theta energy: -222.925
Dist. restrs. and SS energy: 1.348 (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: 5
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -2585.330869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.330869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.137281 (E_RNA)
where:
Base-Base interactions energy: -1761.305
where: short stacking energy: -782.986
Base-Backbone interact. energy: -0.189
local terms energy: -826.643059
where:
bonds (distance) C4'-P energy: -156.296
bonds (distance) P-C4' energy: -152.968
flat angles C4'-P-C4' energy: -171.802
flat angles P-C4'-P energy: -118.584
tors. eta vs tors. theta energy: -226.993
Dist. restrs. and SS energy: 2.806 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -2546.512679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.512679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.917657 (E_RNA)
where:
Base-Base interactions energy: -1746.927
where: short stacking energy: -774.219
Base-Backbone interact. energy: -0.877
local terms energy: -801.113193
where:
bonds (distance) C4'-P energy: -125.004
bonds (distance) P-C4' energy: -158.342
flat angles C4'-P-C4' energy: -176.078
flat angles P-C4'-P energy: -112.861
tors. eta vs tors. theta energy: -228.828
Dist. restrs. and SS energy: 2.405 (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: 7
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -2370.367363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.367363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.936882 (E_RNA)
where:
Base-Base interactions energy: -1622.211
where: short stacking energy: -690.003
Base-Backbone interact. energy: -1.426
local terms energy: -748.299597
where:
bonds (distance) C4'-P energy: -126.560
bonds (distance) P-C4' energy: -161.541
flat angles C4'-P-C4' energy: -148.409
flat angles P-C4'-P energy: -108.507
tors. eta vs tors. theta energy: -203.282
Dist. restrs. and SS energy: 1.570 (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: 1
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -2236.977749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.977749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.431999 (E_RNA)
where:
Base-Base interactions energy: -1518.280
where: short stacking energy: -641.774
Base-Backbone interact. energy: -1.717
local terms energy: -719.434978
where:
bonds (distance) C4'-P energy: -139.135
bonds (distance) P-C4' energy: -138.835
flat angles C4'-P-C4' energy: -159.306
flat angles P-C4'-P energy: -109.875
tors. eta vs tors. theta energy: -172.284
Dist. restrs. and SS energy: 2.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -2087.262163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.262163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.736988 (E_RNA)
where:
Base-Base interactions energy: -1423.586
where: short stacking energy: -616.545
Base-Backbone interact. energy: -4.740
local terms energy: -661.410921
where:
bonds (distance) C4'-P energy: -125.723
bonds (distance) P-C4' energy: -130.761
flat angles C4'-P-C4' energy: -151.408
flat angles P-C4'-P energy: -82.704
tors. eta vs tors. theta energy: -170.815
Dist. restrs. and SS energy: 2.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -2031.104772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.104772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.495023 (E_RNA)
where:
Base-Base interactions energy: -1403.082
where: short stacking energy: -605.184
Base-Backbone interact. energy: 1.554
local terms energy: -631.967060
where:
bonds (distance) C4'-P energy: -123.306
bonds (distance) P-C4' energy: -145.260
flat angles C4'-P-C4' energy: -136.430
flat angles P-C4'-P energy: -87.568
tors. eta vs tors. theta energy: -139.402
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: 9, replica: 2
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -1970.058445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.058445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.125538 (E_RNA)
where:
Base-Base interactions energy: -1376.177
where: short stacking energy: -568.307
Base-Backbone interact. energy: 6.809
local terms energy: -602.757782
where:
bonds (distance) C4'-P energy: -91.709
bonds (distance) P-C4' energy: -124.011
flat angles C4'-P-C4' energy: -147.601
flat angles P-C4'-P energy: -82.940
tors. eta vs tors. theta energy: -156.498
Dist. restrs. and SS energy: 2.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -1767.697009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.697009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.749146 (E_RNA)
where:
Base-Base interactions energy: -1194.784
where: short stacking energy: -495.820
Base-Backbone interact. energy: -3.003
local terms energy: -576.961872
where:
bonds (distance) C4'-P energy: -134.838
bonds (distance) P-C4' energy: -126.514
flat angles C4'-P-C4' energy: -126.160
flat angles P-C4'-P energy: -76.250
tors. eta vs tors. theta energy: -113.201
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: 1, replica: 9
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -3012.392031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3012.392031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3014.346430 (E_RNA)
where:
Base-Base interactions energy: -2132.303
where: short stacking energy: -858.665
Base-Backbone interact. energy: -1.131
local terms energy: -880.912988
where:
bonds (distance) C4'-P energy: -162.899
bonds (distance) P-C4' energy: -161.967
flat angles C4'-P-C4' energy: -171.025
flat angles P-C4'-P energy: -132.842
tors. eta vs tors. theta energy: -252.180
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: 2, replica: 4
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -2794.891306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.891306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.582043 (E_RNA)
where:
Base-Base interactions energy: -1962.293
where: short stacking energy: -805.374
Base-Backbone interact. energy: -0.044
local terms energy: -834.244463
where:
bonds (distance) C4'-P energy: -164.550
bonds (distance) P-C4' energy: -148.458
flat angles C4'-P-C4' energy: -179.415
flat angles P-C4'-P energy: -111.267
tors. eta vs tors. theta energy: -230.555
Dist. restrs. and SS energy: 1.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -2561.708603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.708603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.036540 (E_RNA)
where:
Base-Base interactions energy: -1750.092
where: short stacking energy: -742.926
Base-Backbone interact. energy: -2.436
local terms energy: -810.508001
where:
bonds (distance) C4'-P energy: -160.842
bonds (distance) P-C4' energy: -153.920
flat angles C4'-P-C4' energy: -165.608
flat angles P-C4'-P energy: -112.219
tors. eta vs tors. theta energy: -217.919
Dist. restrs. and SS energy: 1.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -2556.108146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.108146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.528358 (E_RNA)
where:
Base-Base interactions energy: -1746.225
where: short stacking energy: -766.721
Base-Backbone interact. energy: 5.243
local terms energy: -816.545824
where:
bonds (distance) C4'-P energy: -117.655
bonds (distance) P-C4' energy: -161.984
flat angles C4'-P-C4' energy: -177.827
flat angles P-C4'-P energy: -122.267
tors. eta vs tors. theta energy: -236.812
Dist. restrs. and SS energy: 1.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -2374.215097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.215097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.878668 (E_RNA)
where:
Base-Base interactions energy: -1613.187
where: short stacking energy: -662.789
Base-Backbone interact. energy: -2.949
local terms energy: -759.743088
where:
bonds (distance) C4'-P energy: -153.098
bonds (distance) P-C4' energy: -148.307
flat angles C4'-P-C4' energy: -164.660
flat angles P-C4'-P energy: -97.633
tors. eta vs tors. theta energy: -196.045
Dist. restrs. and SS energy: 1.664 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -2190.726847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.726847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.702476 (E_RNA)
where:
Base-Base interactions energy: -1484.347
where: short stacking energy: -666.204
Base-Backbone interact. energy: -2.494
local terms energy: -706.861385
where:
bonds (distance) C4'-P energy: -135.520
bonds (distance) P-C4' energy: -123.100
flat angles C4'-P-C4' energy: -163.038
flat angles P-C4'-P energy: -85.470
tors. eta vs tors. theta energy: -199.733
Dist. restrs. and SS energy: 2.976 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -2094.627862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.627862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.279778 (E_RNA)
where:
Base-Base interactions energy: -1403.236
where: short stacking energy: -594.916
Base-Backbone interact. energy: 4.302
local terms energy: -697.345837
where:
bonds (distance) C4'-P energy: -129.140
bonds (distance) P-C4' energy: -129.658
flat angles C4'-P-C4' energy: -161.253
flat angles P-C4'-P energy: -96.789
tors. eta vs tors. theta energy: -180.506
Dist. restrs. and SS energy: 1.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -1996.349435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.349435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.335518 (E_RNA)
where:
Base-Base interactions energy: -1363.154
where: short stacking energy: -577.415
Base-Backbone interact. energy: 0.620
local terms energy: -636.801170
where:
bonds (distance) C4'-P energy: -140.828
bonds (distance) P-C4' energy: -141.052
flat angles C4'-P-C4' energy: -122.493
flat angles P-C4'-P energy: -100.452
tors. eta vs tors. theta energy: -131.976
Dist. restrs. and SS energy: 2.986 (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: 2
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -1940.443025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.443025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.779689 (E_RNA)
where:
Base-Base interactions energy: -1311.503
where: short stacking energy: -548.694
Base-Backbone interact. energy: -1.548
local terms energy: -629.728608
where:
bonds (distance) C4'-P energy: -122.273
bonds (distance) P-C4' energy: -138.436
flat angles C4'-P-C4' energy: -143.907
flat angles P-C4'-P energy: -87.836
tors. eta vs tors. theta energy: -137.276
Dist. restrs. and SS energy: 2.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -1791.819394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.819394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.060485 (E_RNA)
where:
Base-Base interactions energy: -1241.028
where: short stacking energy: -487.190
Base-Backbone interact. energy: 1.407
local terms energy: -557.439357
where:
bonds (distance) C4'-P energy: -97.057
bonds (distance) P-C4' energy: -132.357
flat angles C4'-P-C4' energy: -135.921
flat angles P-C4'-P energy: -88.624
tors. eta vs tors. theta energy: -103.481
Dist. restrs. and SS energy: 5.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -2983.611627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2983.611627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2986.315919 (E_RNA)
where:
Base-Base interactions energy: -2090.267
where: short stacking energy: -857.785
Base-Backbone interact. energy: 1.036
local terms energy: -897.084503
where:
bonds (distance) C4'-P energy: -171.870
bonds (distance) P-C4' energy: -161.080
flat angles C4'-P-C4' energy: -177.884
flat angles P-C4'-P energy: -134.250
tors. eta vs tors. theta energy: -252.000
Dist. restrs. and SS energy: 2.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -2808.063471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.063471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.230389 (E_RNA)
where:
Base-Base interactions energy: -1957.566
where: short stacking energy: -826.118
Base-Backbone interact. energy: 8.053
local terms energy: -859.717395
where:
bonds (distance) C4'-P energy: -160.301
bonds (distance) P-C4' energy: -163.384
flat angles C4'-P-C4' energy: -171.094
flat angles P-C4'-P energy: -128.463
tors. eta vs tors. theta energy: -236.475
Dist. restrs. and SS energy: 1.167 (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: 6
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -2618.846671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.846671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.556715 (E_RNA)
where:
Base-Base interactions energy: -1797.115
where: short stacking energy: -798.101
Base-Backbone interact. energy: -1.805
local terms energy: -821.636960
where:
bonds (distance) C4'-P energy: -142.353
bonds (distance) P-C4' energy: -153.007
flat angles C4'-P-C4' energy: -183.554
flat angles P-C4'-P energy: -111.432
tors. eta vs tors. theta energy: -231.291
Dist. restrs. and SS energy: 1.710 (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: 208
Temperature: 1.050000
Total energy: -2492.915029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.915029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.158509 (E_RNA)
where:
Base-Base interactions energy: -1727.664
where: short stacking energy: -717.843
Base-Backbone interact. energy: 1.250
local terms energy: -767.744697
where:
bonds (distance) C4'-P energy: -150.477
bonds (distance) P-C4' energy: -150.646
flat angles C4'-P-C4' energy: -161.341
flat angles P-C4'-P energy: -103.658
tors. eta vs tors. theta energy: -201.622
Dist. restrs. and SS energy: 1.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -2366.346830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.346830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.347128 (E_RNA)
where:
Base-Base interactions energy: -1598.664
where: short stacking energy: -663.352
Base-Backbone interact. energy: -1.471
local terms energy: -768.211944
where:
bonds (distance) C4'-P energy: -151.006
bonds (distance) P-C4' energy: -146.340
flat angles C4'-P-C4' energy: -158.526
flat angles P-C4'-P energy: -112.449
tors. eta vs tors. theta energy: -199.890
Dist. restrs. and SS energy: 2.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -2156.707524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.707524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.979690 (E_RNA)
where:
Base-Base interactions energy: -1460.543
where: short stacking energy: -631.471
Base-Backbone interact. energy: -1.343
local terms energy: -697.093689
where:
bonds (distance) C4'-P energy: -122.519
bonds (distance) P-C4' energy: -142.156
flat angles C4'-P-C4' energy: -163.363
flat angles P-C4'-P energy: -102.419
tors. eta vs tors. theta energy: -166.637
Dist. restrs. and SS energy: 2.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -2101.767848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.767848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.665674 (E_RNA)
where:
Base-Base interactions energy: -1426.733
where: short stacking energy: -617.944
Base-Backbone interact. energy: 6.364
local terms energy: -685.296310
where:
bonds (distance) C4'-P energy: -145.671
bonds (distance) P-C4' energy: -148.520
flat angles C4'-P-C4' energy: -138.581
flat angles P-C4'-P energy: -78.773
tors. eta vs tors. theta energy: -173.752
Dist. restrs. and SS energy: 3.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -2031.761167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.761167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.925653 (E_RNA)
where:
Base-Base interactions energy: -1387.373
where: short stacking energy: -596.589
Base-Backbone interact. energy: -2.026
local terms energy: -645.526614
where:
bonds (distance) C4'-P energy: -102.530
bonds (distance) P-C4' energy: -146.607
flat angles C4'-P-C4' energy: -155.436
flat angles P-C4'-P energy: -93.912
tors. eta vs tors. theta energy: -147.042
Dist. restrs. and SS energy: 3.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -1942.977647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.977647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.463908 (E_RNA)
where:
Base-Base interactions energy: -1297.489
where: short stacking energy: -529.865
Base-Backbone interact. energy: 2.564
local terms energy: -650.538944
where:
bonds (distance) C4'-P energy: -128.673
bonds (distance) P-C4' energy: -159.641
flat angles C4'-P-C4' energy: -137.747
flat angles P-C4'-P energy: -75.351
tors. eta vs tors. theta energy: -149.126
Dist. restrs. and SS energy: 2.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -1840.511623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.511623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.036513 (E_RNA)
where:
Base-Base interactions energy: -1277.324
where: short stacking energy: -544.360
Base-Backbone interact. energy: 0.567
local terms energy: -567.279483
where:
bonds (distance) C4'-P energy: -126.403
bonds (distance) P-C4' energy: -114.696
flat angles C4'-P-C4' energy: -137.600
flat angles P-C4'-P energy: -57.159
tors. eta vs tors. theta energy: -131.422
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: 1, replica: 9
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -2974.332115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2974.332115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2977.599158 (E_RNA)
where:
Base-Base interactions energy: -2096.516
where: short stacking energy: -840.424
Base-Backbone interact. energy: -0.314
local terms energy: -880.769407
where:
bonds (distance) C4'-P energy: -158.353
bonds (distance) P-C4' energy: -164.814
flat angles C4'-P-C4' energy: -198.551
flat angles P-C4'-P energy: -113.333
tors. eta vs tors. theta energy: -245.718
Dist. restrs. and SS energy: 3.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -2803.285371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.285371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.347473 (E_RNA)
where:
Base-Base interactions energy: -1946.670
where: short stacking energy: -799.318
Base-Backbone interact. energy: -1.523
local terms energy: -856.154338
where:
bonds (distance) C4'-P energy: -148.385
bonds (distance) P-C4' energy: -167.454
flat angles C4'-P-C4' energy: -185.591
flat angles P-C4'-P energy: -114.553
tors. eta vs tors. theta energy: -240.171
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: 3, replica: 6
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -2606.712755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.712755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.770686 (E_RNA)
where:
Base-Base interactions energy: -1792.939
where: short stacking energy: -781.881
Base-Backbone interact. energy: 2.298
local terms energy: -818.129683
where:
bonds (distance) C4'-P energy: -139.890
bonds (distance) P-C4' energy: -167.332
flat angles C4'-P-C4' energy: -170.223
flat angles P-C4'-P energy: -118.710
tors. eta vs tors. theta energy: -221.975
Dist. restrs. and SS energy: 2.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -2470.212709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.212709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.157736 (E_RNA)
where:
Base-Base interactions energy: -1678.780
where: short stacking energy: -702.969
Base-Backbone interact. energy: 6.396
local terms energy: -798.774475
where:
bonds (distance) C4'-P energy: -151.397
bonds (distance) P-C4' energy: -134.157
flat angles C4'-P-C4' energy: -181.184
flat angles P-C4'-P energy: -114.638
tors. eta vs tors. theta energy: -217.398
Dist. restrs. and SS energy: 0.945 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -2380.927513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.927513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.005614 (E_RNA)
where:
Base-Base interactions energy: -1631.153
where: short stacking energy: -689.800
Base-Backbone interact. energy: 3.030
local terms energy: -754.882302
where:
bonds (distance) C4'-P energy: -154.033
bonds (distance) P-C4' energy: -154.383
flat angles C4'-P-C4' energy: -160.564
flat angles P-C4'-P energy: -89.017
tors. eta vs tors. theta energy: -196.886
Dist. restrs. and SS energy: 2.078 (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: 1
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -2148.374039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.374039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.864377 (E_RNA)
where:
Base-Base interactions energy: -1438.702
where: short stacking energy: -614.511
Base-Backbone interact. energy: -0.298
local terms energy: -713.863643
where:
bonds (distance) C4'-P energy: -160.156
bonds (distance) P-C4' energy: -141.385
flat angles C4'-P-C4' energy: -149.074
flat angles P-C4'-P energy: -102.320
tors. eta vs tors. theta energy: -160.929
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: 10
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -2105.118026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.118026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.272901 (E_RNA)
where:
Base-Base interactions energy: -1407.518
where: short stacking energy: -603.221
Base-Backbone interact. energy: -7.096
local terms energy: -692.659034
where:
bonds (distance) C4'-P energy: -135.692
bonds (distance) P-C4' energy: -143.938
flat angles C4'-P-C4' energy: -133.346
flat angles P-C4'-P energy: -108.559
tors. eta vs tors. theta energy: -171.125
Dist. restrs. and SS energy: 2.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -1990.296897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.296897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.205639 (E_RNA)
where:
Base-Base interactions energy: -1360.354
where: short stacking energy: -587.880
Base-Backbone interact. energy: 5.618
local terms energy: -639.469974
where:
bonds (distance) C4'-P energy: -108.800
bonds (distance) P-C4' energy: -161.525
flat angles C4'-P-C4' energy: -133.616
flat angles P-C4'-P energy: -80.700
tors. eta vs tors. theta energy: -154.829
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: 9, replica: 2
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -1968.728028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.728028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.856629 (E_RNA)
where:
Base-Base interactions energy: -1348.847
where: short stacking energy: -544.778
Base-Backbone interact. energy: 1.834
local terms energy: -625.843176
where:
bonds (distance) C4'-P energy: -130.444
bonds (distance) P-C4' energy: -114.302
flat angles C4'-P-C4' energy: -145.231
flat angles P-C4'-P energy: -79.892
tors. eta vs tors. theta energy: -155.975
Dist. restrs. and SS energy: 4.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -1833.176336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.176336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.470007 (E_RNA)
where:
Base-Base interactions energy: -1258.292
where: short stacking energy: -525.792
Base-Backbone interact. energy: -0.074
local terms energy: -578.103971
where:
bonds (distance) C4'-P energy: -119.611
bonds (distance) P-C4' energy: -135.778
flat angles C4'-P-C4' energy: -123.138
flat angles P-C4'-P energy: -73.552
tors. eta vs tors. theta energy: -126.025
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: 1, replica: 9
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -2945.927393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2945.927393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2948.760487 (E_RNA)
where:
Base-Base interactions energy: -2068.757
where: short stacking energy: -858.361
Base-Backbone interact. energy: -2.670
local terms energy: -877.333150
where:
bonds (distance) C4'-P energy: -171.521
bonds (distance) P-C4' energy: -164.346
flat angles C4'-P-C4' energy: -190.926
flat angles P-C4'-P energy: -113.122
tors. eta vs tors. theta energy: -237.418
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: 4
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -2770.100126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.100126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2771.291534 (E_RNA)
where:
Base-Base interactions energy: -1916.001
where: short stacking energy: -791.993
Base-Backbone interact. energy: -1.780
local terms energy: -853.510719
where:
bonds (distance) C4'-P energy: -158.943
bonds (distance) P-C4' energy: -157.335
flat angles C4'-P-C4' energy: -181.392
flat angles P-C4'-P energy: -125.209
tors. eta vs tors. theta energy: -230.631
Dist. restrs. and SS energy: 1.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -2641.445974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.445974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.701491 (E_RNA)
where:
Base-Base interactions energy: -1788.172
where: short stacking energy: -785.134
Base-Backbone interact. energy: -4.978
local terms energy: -849.551365
where:
bonds (distance) C4'-P energy: -164.198
bonds (distance) P-C4' energy: -145.686
flat angles C4'-P-C4' energy: -177.988
flat angles P-C4'-P energy: -126.211
tors. eta vs tors. theta energy: -235.469
Dist. restrs. and SS energy: 1.256 (S_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: 210
Temperature: 1.050000
Total energy: -2495.310202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.310202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.709319 (E_RNA)
where:
Base-Base interactions energy: -1695.477
where: short stacking energy: -725.490
Base-Backbone interact. energy: -4.378
local terms energy: -796.854889
where:
bonds (distance) C4'-P energy: -145.207
bonds (distance) P-C4' energy: -145.559
flat angles C4'-P-C4' energy: -164.168
flat angles P-C4'-P energy: -122.728
tors. eta vs tors. theta energy: -219.193
Dist. restrs. and SS energy: 1.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -2360.463356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.463356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.812972 (E_RNA)
where:
Base-Base interactions energy: -1614.279
where: short stacking energy: -696.014
Base-Backbone interact. energy: 3.981
local terms energy: -752.514401
where:
bonds (distance) C4'-P energy: -142.970
bonds (distance) P-C4' energy: -143.084
flat angles C4'-P-C4' energy: -167.378
flat angles P-C4'-P energy: -103.115
tors. eta vs tors. theta energy: -195.968
Dist. restrs. and SS energy: 2.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -2195.972223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.972223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.329110 (E_RNA)
where:
Base-Base interactions energy: -1460.840
where: short stacking energy: -641.037
Base-Backbone interact. energy: -0.268
local terms energy: -737.221011
where:
bonds (distance) C4'-P energy: -144.227
bonds (distance) P-C4' energy: -157.968
flat angles C4'-P-C4' energy: -173.171
flat angles P-C4'-P energy: -93.560
tors. eta vs tors. theta energy: -168.296
Dist. restrs. and SS energy: 2.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -2072.591126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.591126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.057383 (E_RNA)
where:
Base-Base interactions energy: -1408.168
where: short stacking energy: -613.680
Base-Backbone interact. energy: -5.874
local terms energy: -660.015520
where:
bonds (distance) C4'-P energy: -120.825
bonds (distance) P-C4' energy: -136.364
flat angles C4'-P-C4' energy: -160.517
flat angles P-C4'-P energy: -91.731
tors. eta vs tors. theta energy: -150.577
Dist. restrs. and SS energy: 1.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -2032.653876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.653876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.005063 (E_RNA)
where:
Base-Base interactions energy: -1356.763
where: short stacking energy: -583.390
Base-Backbone interact. energy: 2.565
local terms energy: -681.807287
where:
bonds (distance) C4'-P energy: -139.107
bonds (distance) P-C4' energy: -142.303
flat angles C4'-P-C4' energy: -166.533
flat angles P-C4'-P energy: -76.856
tors. eta vs tors. theta energy: -157.009
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: 9, replica: 2
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -1998.083028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.083028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.685380 (E_RNA)
where:
Base-Base interactions energy: -1356.028
where: short stacking energy: -555.732
Base-Backbone interact. energy: 0.432
local terms energy: -644.089321
where:
bonds (distance) C4'-P energy: -124.076
bonds (distance) P-C4' energy: -147.770
flat angles C4'-P-C4' energy: -145.321
flat angles P-C4'-P energy: -82.595
tors. eta vs tors. theta energy: -144.327
Dist. restrs. and SS energy: 1.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -1832.149536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.149536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.392330 (E_RNA)
where:
Base-Base interactions energy: -1264.254
where: short stacking energy: -512.534
Base-Backbone interact. energy: 4.262
local terms energy: -574.399498
where:
bonds (distance) C4'-P energy: -112.847
bonds (distance) P-C4' energy: -137.660
flat angles C4'-P-C4' energy: -142.113
flat angles P-C4'-P energy: -71.083
tors. eta vs tors. theta energy: -110.696
Dist. restrs. and SS energy: 2.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -2946.393994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2946.393994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2948.823595 (E_RNA)
where:
Base-Base interactions energy: -2054.185
where: short stacking energy: -857.516
Base-Backbone interact. energy: -3.339
local terms energy: -891.300323
where:
bonds (distance) C4'-P energy: -175.102
bonds (distance) P-C4' energy: -151.404
flat angles C4'-P-C4' energy: -188.240
flat angles P-C4'-P energy: -126.369
tors. eta vs tors. theta energy: -250.185
Dist. restrs. and SS energy: 2.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -2737.557239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.557239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.189341 (E_RNA)
where:
Base-Base interactions energy: -1918.267
where: short stacking energy: -819.125
Base-Backbone interact. energy: -1.410
local terms energy: -820.512602
where:
bonds (distance) C4'-P energy: -154.204
bonds (distance) P-C4' energy: -151.610
flat angles C4'-P-C4' energy: -167.252
flat angles P-C4'-P energy: -115.572
tors. eta vs tors. theta energy: -231.874
Dist. restrs. and SS energy: 2.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -2601.100534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.100534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.190904 (E_RNA)
where:
Base-Base interactions energy: -1776.428
where: short stacking energy: -777.775
Base-Backbone interact. energy: -2.815
local terms energy: -822.948505
where:
bonds (distance) C4'-P energy: -137.604
bonds (distance) P-C4' energy: -161.472
flat angles C4'-P-C4' energy: -164.470
flat angles P-C4'-P energy: -125.944
tors. eta vs tors. theta energy: -233.459
Dist. restrs. and SS energy: 1.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -2510.323387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.323387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.218187 (E_RNA)
where:
Base-Base interactions energy: -1707.445
where: short stacking energy: -732.653
Base-Backbone interact. energy: -3.615
local terms energy: -800.158043
where:
bonds (distance) C4'-P energy: -130.496
bonds (distance) P-C4' energy: -154.317
flat angles C4'-P-C4' energy: -181.338
flat angles P-C4'-P energy: -115.884
tors. eta vs tors. theta energy: -218.124
Dist. restrs. and SS energy: 0.895 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -2376.736049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.736049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.122745 (E_RNA)
where:
Base-Base interactions energy: -1625.763
where: short stacking energy: -703.815
Base-Backbone interact. energy: -0.307
local terms energy: -753.052757
where:
bonds (distance) C4'-P energy: -157.431
bonds (distance) P-C4' energy: -151.472
flat angles C4'-P-C4' energy: -147.144
flat angles P-C4'-P energy: -101.950
tors. eta vs tors. theta energy: -195.055
Dist. restrs. and SS energy: 2.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -2250.690005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.690005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.940608 (E_RNA)
where:
Base-Base interactions energy: -1514.726
where: short stacking energy: -692.810
Base-Backbone interact. energy: -2.253
local terms energy: -734.962271
where:
bonds (distance) C4'-P energy: -136.909
bonds (distance) P-C4' energy: -148.613
flat angles C4'-P-C4' energy: -172.182
flat angles P-C4'-P energy: -88.261
tors. eta vs tors. theta energy: -188.998
Dist. restrs. and SS energy: 1.251 (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: 8
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -2053.624664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.624664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.618971 (E_RNA)
where:
Base-Base interactions energy: -1360.878
where: short stacking energy: -566.993
Base-Backbone interact. energy: -3.499
local terms energy: -692.241614
where:
bonds (distance) C4'-P energy: -136.824
bonds (distance) P-C4' energy: -150.793
flat angles C4'-P-C4' energy: -152.332
flat angles P-C4'-P energy: -102.912
tors. eta vs tors. theta energy: -149.381
Dist. restrs. and SS energy: 2.994 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -2025.364440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.364440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.372620 (E_RNA)
where:
Base-Base interactions energy: -1383.908
where: short stacking energy: -592.178
Base-Backbone interact. energy: -0.041
local terms energy: -643.423256
where:
bonds (distance) C4'-P energy: -125.378
bonds (distance) P-C4' energy: -129.693
flat angles C4'-P-C4' energy: -151.093
flat angles P-C4'-P energy: -86.046
tors. eta vs tors. theta energy: -151.213
Dist. restrs. and SS energy: 2.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -1976.069664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.069664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.709495 (E_RNA)
where:
Base-Base interactions energy: -1348.656
where: short stacking energy: -569.227
Base-Backbone interact. energy: 4.062
local terms energy: -633.115231
where:
bonds (distance) C4'-P energy: -119.427
bonds (distance) P-C4' energy: -132.987
flat angles C4'-P-C4' energy: -155.068
flat angles P-C4'-P energy: -83.589
tors. eta vs tors. theta energy: -142.044
Dist. restrs. and SS energy: 1.640 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -1820.444838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.444838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.012735 (E_RNA)
where:
Base-Base interactions energy: -1248.574
where: short stacking energy: -539.572
Base-Backbone interact. energy: -0.286
local terms energy: -576.152929
where:
bonds (distance) C4'-P energy: -115.195
bonds (distance) P-C4' energy: -128.137
flat angles C4'-P-C4' energy: -121.620
flat angles P-C4'-P energy: -77.651
tors. eta vs tors. theta energy: -133.549
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: 1, replica: 9
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -2927.697955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2927.697955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2930.443999 (E_RNA)
where:
Base-Base interactions energy: -2037.700
where: short stacking energy: -862.891
Base-Backbone interact. energy: -3.857
local terms energy: -888.886735
where:
bonds (distance) C4'-P energy: -151.264
bonds (distance) P-C4' energy: -157.749
flat angles C4'-P-C4' energy: -183.682
flat angles P-C4'-P energy: -146.773
tors. eta vs tors. theta energy: -249.418
Dist. restrs. and SS energy: 2.746 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -2726.573213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.573213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.942300 (E_RNA)
where:
Base-Base interactions energy: -1892.565
where: short stacking energy: -790.698
Base-Backbone interact. energy: 3.844
local terms energy: -839.221231
where:
bonds (distance) C4'-P energy: -147.391
bonds (distance) P-C4' energy: -166.036
flat angles C4'-P-C4' energy: -188.201
flat angles P-C4'-P energy: -112.067
tors. eta vs tors. theta energy: -225.525
Dist. restrs. and SS energy: 1.369 (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: 6
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -2609.588606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.588606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.168091 (E_RNA)
where:
Base-Base interactions energy: -1798.376
where: short stacking energy: -774.475
Base-Backbone interact. energy: 0.571
local terms energy: -815.362671
where:
bonds (distance) C4'-P energy: -149.894
bonds (distance) P-C4' energy: -141.520
flat angles C4'-P-C4' energy: -182.650
flat angles P-C4'-P energy: -120.403
tors. eta vs tors. theta energy: -220.896
Dist. restrs. and SS energy: 3.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -2498.035875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.035875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.757775 (E_RNA)
where:
Base-Base interactions energy: -1715.788
where: short stacking energy: -741.284
Base-Backbone interact. energy: 0.161
local terms energy: -784.131029
where:
bonds (distance) C4'-P energy: -146.757
bonds (distance) P-C4' energy: -142.496
flat angles C4'-P-C4' energy: -185.378
flat angles P-C4'-P energy: -100.164
tors. eta vs tors. theta energy: -209.337
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: 5, replica: 7
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -2350.025424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.025424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.537131 (E_RNA)
where:
Base-Base interactions energy: -1586.926
where: short stacking energy: -683.351
Base-Backbone interact. energy: 2.739
local terms energy: -769.349740
where:
bonds (distance) C4'-P energy: -153.128
bonds (distance) P-C4' energy: -154.566
flat angles C4'-P-C4' energy: -154.670
flat angles P-C4'-P energy: -115.271
tors. eta vs tors. theta energy: -191.715
Dist. restrs. and SS energy: 3.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -2197.833477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.833477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.457006 (E_RNA)
where:
Base-Base interactions energy: -1481.319
where: short stacking energy: -665.911
Base-Backbone interact. energy: -2.636
local terms energy: -715.502540
where:
bonds (distance) C4'-P energy: -134.654
bonds (distance) P-C4' energy: -133.180
flat angles C4'-P-C4' energy: -169.633
flat angles P-C4'-P energy: -95.516
tors. eta vs tors. theta energy: -182.520
Dist. restrs. and SS energy: 1.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -2064.505016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.505016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.180293 (E_RNA)
where:
Base-Base interactions energy: -1367.179
where: short stacking energy: -577.668
Base-Backbone interact. energy: -1.977
local terms energy: -698.024533
where:
bonds (distance) C4'-P energy: -119.225
bonds (distance) P-C4' energy: -148.337
flat angles C4'-P-C4' energy: -172.288
flat angles P-C4'-P energy: -100.975
tors. eta vs tors. theta energy: -157.199
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: 8, replica: 10
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -1973.689361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.689361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.662867 (E_RNA)
where:
Base-Base interactions energy: -1346.694
where: short stacking energy: -551.475
Base-Backbone interact. energy: -1.312
local terms energy: -629.657406
where:
bonds (distance) C4'-P energy: -117.129
bonds (distance) P-C4' energy: -137.448
flat angles C4'-P-C4' energy: -138.314
flat angles P-C4'-P energy: -84.514
tors. eta vs tors. theta energy: -152.252
Dist. restrs. and SS energy: 3.974 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -1980.514905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.514905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.156866 (E_RNA)
where:
Base-Base interactions energy: -1347.018
where: short stacking energy: -571.739
Base-Backbone interact. energy: 2.823
local terms energy: -638.961555
where:
bonds (distance) C4'-P energy: -125.728
bonds (distance) P-C4' energy: -132.484
flat angles C4'-P-C4' energy: -145.785
flat angles P-C4'-P energy: -89.532
tors. eta vs tors. theta energy: -145.433
Dist. restrs. and SS energy: 2.642 (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: 3
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -1879.203561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.203561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.826754 (E_RNA)
where:
Base-Base interactions energy: -1291.063
where: short stacking energy: -522.881
Base-Backbone interact. energy: 1.561
local terms energy: -593.324440
where:
bonds (distance) C4'-P energy: -128.295
bonds (distance) P-C4' energy: -132.603
flat angles C4'-P-C4' energy: -129.770
flat angles P-C4'-P energy: -79.959
tors. eta vs tors. theta energy: -122.697
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: 1, replica: 9
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -2955.261947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2955.261947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2958.213834 (E_RNA)
where:
Base-Base interactions energy: -2087.763
where: short stacking energy: -859.067
Base-Backbone interact. energy: -2.162
local terms energy: -868.289587
where:
bonds (distance) C4'-P energy: -157.617
bonds (distance) P-C4' energy: -158.771
flat angles C4'-P-C4' energy: -176.931
flat angles P-C4'-P energy: -128.002
tors. eta vs tors. theta energy: -246.968
Dist. restrs. and SS energy: 2.952 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -2754.063607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.063607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2755.302125 (E_RNA)
where:
Base-Base interactions energy: -1919.854
where: short stacking energy: -792.282
Base-Backbone interact. energy: -1.078
local terms energy: -834.369985
where:
bonds (distance) C4'-P energy: -152.406
bonds (distance) P-C4' energy: -160.780
flat angles C4'-P-C4' energy: -175.098
flat angles P-C4'-P energy: -116.959
tors. eta vs tors. theta energy: -229.126
Dist. restrs. and SS energy: 1.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -2649.192343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.192343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.497002 (E_RNA)
where:
Base-Base interactions energy: -1803.512
where: short stacking energy: -788.931
Base-Backbone interact. energy: -0.375
local terms energy: -847.609979
where:
bonds (distance) C4'-P energy: -157.432
bonds (distance) P-C4' energy: -155.720
flat angles C4'-P-C4' energy: -182.555
flat angles P-C4'-P energy: -115.976
tors. eta vs tors. theta energy: -235.927
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: 4, replica: 5
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -2504.836678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.836678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.095517 (E_RNA)
where:
Base-Base interactions energy: -1707.121
where: short stacking energy: -755.400
Base-Backbone interact. energy: -0.892
local terms energy: -800.082635
where:
bonds (distance) C4'-P energy: -143.763
bonds (distance) P-C4' energy: -151.631
flat angles C4'-P-C4' energy: -170.829
flat angles P-C4'-P energy: -113.403
tors. eta vs tors. theta energy: -220.458
Dist. restrs. and SS energy: 3.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -2355.370116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.370116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.411000 (E_RNA)
where:
Base-Base interactions energy: -1629.647
where: short stacking energy: -699.335
Base-Backbone interact. energy: 2.667
local terms energy: -729.430635
where:
bonds (distance) C4'-P energy: -165.375
bonds (distance) P-C4' energy: -137.512
flat angles C4'-P-C4' energy: -161.205
flat angles P-C4'-P energy: -63.471
tors. eta vs tors. theta energy: -201.868
Dist. restrs. and SS energy: 1.041 (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: 1
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -2216.725948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.725948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.226721 (E_RNA)
where:
Base-Base interactions energy: -1475.600
where: short stacking energy: -659.241
Base-Backbone interact. energy: -3.404
local terms energy: -740.223018
where:
bonds (distance) C4'-P energy: -139.399
bonds (distance) P-C4' energy: -155.344
flat angles C4'-P-C4' energy: -152.948
flat angles P-C4'-P energy: -112.434
tors. eta vs tors. theta energy: -180.098
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: 7, replica: 8
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -2104.246560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.246560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.053455 (E_RNA)
where:
Base-Base interactions energy: -1429.270
where: short stacking energy: -636.895
Base-Backbone interact. energy: -2.171
local terms energy: -675.612454
where:
bonds (distance) C4'-P energy: -133.551
bonds (distance) P-C4' energy: -133.973
flat angles C4'-P-C4' energy: -147.603
flat angles P-C4'-P energy: -93.290
tors. eta vs tors. theta energy: -167.196
Dist. restrs. and SS energy: 2.807 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -2087.314917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.314917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.601214 (E_RNA)
where:
Base-Base interactions energy: -1396.670
where: short stacking energy: -612.935
Base-Backbone interact. energy: 4.706
local terms energy: -698.637283
where:
bonds (distance) C4'-P energy: -142.330
bonds (distance) P-C4' energy: -131.564
flat angles C4'-P-C4' energy: -155.343
flat angles P-C4'-P energy: -100.108
tors. eta vs tors. theta energy: -169.293
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: 9, replica: 10
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -1923.693640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.693640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.376318 (E_RNA)
where:
Base-Base interactions energy: -1291.231
where: short stacking energy: -560.378
Base-Backbone interact. energy: 8.481
local terms energy: -644.626296
where:
bonds (distance) C4'-P energy: -121.975
bonds (distance) P-C4' energy: -133.903
flat angles C4'-P-C4' energy: -143.455
flat angles P-C4'-P energy: -99.775
tors. eta vs tors. theta energy: -145.518
Dist. restrs. and SS energy: 3.683 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -1885.175503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.175503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.660486 (E_RNA)
where:
Base-Base interactions energy: -1303.593
where: short stacking energy: -556.645
Base-Backbone interact. energy: 1.555
local terms energy: -592.621986
where:
bonds (distance) C4'-P energy: -113.239
bonds (distance) P-C4' energy: -131.437
flat angles C4'-P-C4' energy: -131.114
flat angles P-C4'-P energy: -72.191
tors. eta vs tors. theta energy: -144.641
Dist. restrs. and SS energy: 9.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -2940.284622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2940.284622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2942.760326 (E_RNA)
where:
Base-Base interactions energy: -2053.685
where: short stacking energy: -833.999
Base-Backbone interact. energy: 0.942
local terms energy: -890.017204
where:
bonds (distance) C4'-P energy: -158.003
bonds (distance) P-C4' energy: -170.057
flat angles C4'-P-C4' energy: -191.741
flat angles P-C4'-P energy: -123.748
tors. eta vs tors. theta energy: -246.469
Dist. restrs. and SS energy: 2.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -2746.758709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.758709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.031612 (E_RNA)
where:
Base-Base interactions energy: -1923.420
where: short stacking energy: -786.082
Base-Backbone interact. energy: 1.729
local terms energy: -826.340394
where:
bonds (distance) C4'-P energy: -147.393
bonds (distance) P-C4' energy: -163.010
flat angles C4'-P-C4' energy: -176.368
flat angles P-C4'-P energy: -119.786
tors. eta vs tors. theta energy: -219.783
Dist. restrs. and SS energy: 1.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -2591.455751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.455751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.433167 (E_RNA)
where:
Base-Base interactions energy: -1793.378
where: short stacking energy: -778.384
Base-Backbone interact. energy: 0.436
local terms energy: -800.490728
where:
bonds (distance) C4'-P energy: -139.760
bonds (distance) P-C4' energy: -148.877
flat angles C4'-P-C4' energy: -163.562
flat angles P-C4'-P energy: -116.664
tors. eta vs tors. theta energy: -231.628
Dist. restrs. and SS energy: 1.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -2470.163168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.163168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.513195 (E_RNA)
where:
Base-Base interactions energy: -1698.079
where: short stacking energy: -726.225
Base-Backbone interact. energy: 0.442
local terms energy: -773.875889
where:
bonds (distance) C4'-P energy: -138.705
bonds (distance) P-C4' energy: -137.244
flat angles C4'-P-C4' energy: -176.757
flat angles P-C4'-P energy: -112.626
tors. eta vs tors. theta energy: -208.544
Dist. restrs. and SS energy: 1.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -2349.255831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.255831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.368208 (E_RNA)
where:
Base-Base interactions energy: -1617.709
where: short stacking energy: -678.322
Base-Backbone interact. energy: 1.043
local terms energy: -734.702828
where:
bonds (distance) C4'-P energy: -135.085
bonds (distance) P-C4' energy: -153.756
flat angles C4'-P-C4' energy: -174.060
flat angles P-C4'-P energy: -76.500
tors. eta vs tors. theta energy: -195.303
Dist. restrs. and SS energy: 2.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -2232.378394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.378394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.459776 (E_RNA)
where:
Base-Base interactions energy: -1495.843
where: short stacking energy: -674.649
Base-Backbone interact. energy: -2.312
local terms energy: -737.304841
where:
bonds (distance) C4'-P energy: -131.019
bonds (distance) P-C4' energy: -136.909
flat angles C4'-P-C4' energy: -163.758
flat angles P-C4'-P energy: -118.027
tors. eta vs tors. theta energy: -187.592
Dist. restrs. and SS energy: 3.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -2154.104172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.104172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.496176 (E_RNA)
where:
Base-Base interactions energy: -1446.131
where: short stacking energy: -615.373
Base-Backbone interact. energy: -2.712
local terms energy: -708.653868
where:
bonds (distance) C4'-P energy: -155.410
bonds (distance) P-C4' energy: -152.495
flat angles C4'-P-C4' energy: -158.672
flat angles P-C4'-P energy: -85.710
tors. eta vs tors. theta energy: -156.366
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: 8, replica: 8
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -2034.117451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.117451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.603010 (E_RNA)
where:
Base-Base interactions energy: -1364.665
where: short stacking energy: -570.964
Base-Backbone interact. energy: 0.211
local terms energy: -676.149345
where:
bonds (distance) C4'-P energy: -141.899
bonds (distance) P-C4' energy: -128.031
flat angles C4'-P-C4' energy: -157.594
flat angles P-C4'-P energy: -89.289
tors. eta vs tors. theta energy: -159.337
Dist. restrs. and SS energy: 6.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -1977.190768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.190768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.442388 (E_RNA)
where:
Base-Base interactions energy: -1358.955
where: short stacking energy: -592.760
Base-Backbone interact. energy: -1.616
local terms energy: -618.870947
where:
bonds (distance) C4'-P energy: -116.209
bonds (distance) P-C4' energy: -135.069
flat angles C4'-P-C4' energy: -148.454
flat angles P-C4'-P energy: -75.351
tors. eta vs tors. theta energy: -143.789
Dist. restrs. and SS energy: 2.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -1849.571671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.571671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.898646 (E_RNA)
where:
Base-Base interactions energy: -1262.076
where: short stacking energy: -525.120
Base-Backbone interact. energy: -3.862
local terms energy: -586.961155
where:
bonds (distance) C4'-P energy: -115.145
bonds (distance) P-C4' energy: -124.276
flat angles C4'-P-C4' energy: -149.943
flat angles P-C4'-P energy: -75.516
tors. eta vs tors. theta energy: -122.081
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: 1, replica: 9
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -2908.900257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2908.900257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2911.150062 (E_RNA)
where:
Base-Base interactions energy: -2026.219
where: short stacking energy: -827.596
Base-Backbone interact. energy: 0.005
local terms energy: -884.936296
where:
bonds (distance) C4'-P energy: -163.760
bonds (distance) P-C4' energy: -171.994
flat angles C4'-P-C4' energy: -181.673
flat angles P-C4'-P energy: -124.912
tors. eta vs tors. theta energy: -242.597
Dist. restrs. and SS energy: 2.250 (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: 4
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -2773.666544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2773.666544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.835617 (E_RNA)
where:
Base-Base interactions energy: -1922.869
where: short stacking energy: -815.031
Base-Backbone interact. energy: -3.042
local terms energy: -848.925035
where:
bonds (distance) C4'-P energy: -166.893
bonds (distance) P-C4' energy: -159.117
flat angles C4'-P-C4' energy: -177.618
flat angles P-C4'-P energy: -108.590
tors. eta vs tors. theta energy: -236.707
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: 6
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -2635.581503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.581503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.084406 (E_RNA)
where:
Base-Base interactions energy: -1792.528
where: short stacking energy: -775.847
Base-Backbone interact. energy: -4.527
local terms energy: -840.029405
where:
bonds (distance) C4'-P energy: -154.670
bonds (distance) P-C4' energy: -144.632
flat angles C4'-P-C4' energy: -185.440
flat angles P-C4'-P energy: -128.542
tors. eta vs tors. theta energy: -226.745
Dist. restrs. and SS energy: 1.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -2491.198103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.198103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.721532 (E_RNA)
where:
Base-Base interactions energy: -1720.542
where: short stacking energy: -749.792
Base-Backbone interact. energy: -2.027
local terms energy: -771.152538
where:
bonds (distance) C4'-P energy: -134.972
bonds (distance) P-C4' energy: -135.276
flat angles C4'-P-C4' energy: -181.947
flat angles P-C4'-P energy: -99.737
tors. eta vs tors. theta energy: -219.221
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: 5, replica: 7
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -2412.536739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.536739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.864467 (E_RNA)
where:
Base-Base interactions energy: -1671.919
where: short stacking energy: -695.924
Base-Backbone interact. energy: -3.764
local terms energy: -738.181834
where:
bonds (distance) C4'-P energy: -138.809
bonds (distance) P-C4' energy: -142.439
flat angles C4'-P-C4' energy: -160.448
flat angles P-C4'-P energy: -101.966
tors. eta vs tors. theta energy: -194.519
Dist. restrs. and SS energy: 1.328 (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: 2
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -2208.697280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.697280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.419544 (E_RNA)
where:
Base-Base interactions energy: -1481.281
where: short stacking energy: -647.156
Base-Backbone interact. energy: -4.423
local terms energy: -725.715811
where:
bonds (distance) C4'-P energy: -139.838
bonds (distance) P-C4' energy: -134.098
flat angles C4'-P-C4' energy: -165.420
flat angles P-C4'-P energy: -108.151
tors. eta vs tors. theta energy: -178.209
Dist. restrs. and SS energy: 2.722 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -2102.131751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.131751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.623031 (E_RNA)
where:
Base-Base interactions energy: -1417.161
where: short stacking energy: -596.075
Base-Backbone interact. energy: 2.208
local terms energy: -689.670167
where:
bonds (distance) C4'-P energy: -142.476
bonds (distance) P-C4' energy: -142.477
flat angles C4'-P-C4' energy: -155.330
flat angles P-C4'-P energy: -95.691
tors. eta vs tors. theta energy: -153.697
Dist. restrs. and SS energy: 2.491 (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: 8
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -2057.103369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.103369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.458137 (E_RNA)
where:
Base-Base interactions energy: -1357.432
where: short stacking energy: -605.247
Base-Backbone interact. energy: 0.636
local terms energy: -702.662608
where:
bonds (distance) C4'-P energy: -140.780
bonds (distance) P-C4' energy: -136.291
flat angles C4'-P-C4' energy: -153.115
flat angles P-C4'-P energy: -104.281
tors. eta vs tors. theta energy: -168.196
Dist. restrs. and SS energy: 2.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -1892.463032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.463032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.304914 (E_RNA)
where:
Base-Base interactions energy: -1276.458
where: short stacking energy: -513.003
Base-Backbone interact. energy: 3.606
local terms energy: -622.452684
where:
bonds (distance) C4'-P energy: -146.914
bonds (distance) P-C4' energy: -129.078
flat angles C4'-P-C4' energy: -141.104
flat angles P-C4'-P energy: -78.740
tors. eta vs tors. theta energy: -126.616
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: 10, replica: 10
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -1838.898204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.898204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.556964 (E_RNA)
where:
Base-Base interactions energy: -1236.949
where: short stacking energy: -489.289
Base-Backbone interact. energy: -3.011
local terms energy: -600.597012
where:
bonds (distance) C4'-P energy: -138.772
bonds (distance) P-C4' energy: -128.631
flat angles C4'-P-C4' energy: -148.115
flat angles P-C4'-P energy: -73.717
tors. eta vs tors. theta energy: -111.363
Dist. restrs. and SS energy: 1.659 (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: 9
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -2915.454131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2915.454131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2918.276803 (E_RNA)
where:
Base-Base interactions energy: -2063.269
where: short stacking energy: -849.272
Base-Backbone interact. energy: 2.670
local terms energy: -857.677277
where:
bonds (distance) C4'-P energy: -142.714
bonds (distance) P-C4' energy: -171.128
flat angles C4'-P-C4' energy: -177.881
flat angles P-C4'-P energy: -120.863
tors. eta vs tors. theta energy: -245.091
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: 4
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -2784.617081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.617081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.892195 (E_RNA)
where:
Base-Base interactions energy: -1943.912
where: short stacking energy: -808.874
Base-Backbone interact. energy: 2.667
local terms energy: -845.647006
where:
bonds (distance) C4'-P energy: -143.643
bonds (distance) P-C4' energy: -164.711
flat angles C4'-P-C4' energy: -180.337
flat angles P-C4'-P energy: -127.135
tors. eta vs tors. theta energy: -229.822
Dist. restrs. and SS energy: 2.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -2635.898196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.898196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.863504 (E_RNA)
where:
Base-Base interactions energy: -1791.625
where: short stacking energy: -799.501
Base-Backbone interact. energy: -2.824
local terms energy: -844.414100
where:
bonds (distance) C4'-P energy: -151.966
bonds (distance) P-C4' energy: -153.948
flat angles C4'-P-C4' energy: -183.881
flat angles P-C4'-P energy: -124.598
tors. eta vs tors. theta energy: -230.021
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: 4, replica: 5
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -2495.388844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.388844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.464864 (E_RNA)
where:
Base-Base interactions energy: -1689.864
where: short stacking energy: -730.139
Base-Backbone interact. energy: -4.790
local terms energy: -801.810037
where:
bonds (distance) C4'-P energy: -150.654
bonds (distance) P-C4' energy: -155.049
flat angles C4'-P-C4' energy: -175.817
flat angles P-C4'-P energy: -105.824
tors. eta vs tors. theta energy: -214.466
Dist. restrs. and SS energy: 1.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -2438.237784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.237784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.310159 (E_RNA)
where:
Base-Base interactions energy: -1682.784
where: short stacking energy: -738.503
Base-Backbone interact. energy: 0.673
local terms energy: -758.199514
where:
bonds (distance) C4'-P energy: -137.285
bonds (distance) P-C4' energy: -136.345
flat angles C4'-P-C4' energy: -169.983
flat angles P-C4'-P energy: -112.796
tors. eta vs tors. theta energy: -201.791
Dist. restrs. and SS energy: 2.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -2191.226350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.226350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.661225 (E_RNA)
where:
Base-Base interactions energy: -1483.616
where: short stacking energy: -615.277
Base-Backbone interact. energy: 0.094
local terms energy: -710.139094
where:
bonds (distance) C4'-P energy: -141.179
bonds (distance) P-C4' energy: -147.450
flat angles C4'-P-C4' energy: -150.204
flat angles P-C4'-P energy: -102.547
tors. eta vs tors. theta energy: -168.759
Dist. restrs. and SS energy: 2.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -2037.044700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.044700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.843660 (E_RNA)
where:
Base-Base interactions energy: -1372.459
where: short stacking energy: -589.853
Base-Backbone interact. energy: -0.387
local terms energy: -666.998317
where:
bonds (distance) C4'-P energy: -140.559
bonds (distance) P-C4' energy: -127.110
flat angles C4'-P-C4' energy: -154.937
flat angles P-C4'-P energy: -88.714
tors. eta vs tors. theta energy: -155.678
Dist. restrs. and SS energy: 2.799 (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: 8
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -1992.498330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.498330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.896930 (E_RNA)
where:
Base-Base interactions energy: -1336.882
where: short stacking energy: -544.613
Base-Backbone interact. energy: -5.674
local terms energy: -655.340168
where:
bonds (distance) C4'-P energy: -140.525
bonds (distance) P-C4' energy: -127.749
flat angles C4'-P-C4' energy: -159.052
flat angles P-C4'-P energy: -72.386
tors. eta vs tors. theta energy: -155.628
Dist. restrs. and SS energy: 5.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -1956.236871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.236871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.684600 (E_RNA)
where:
Base-Base interactions energy: -1320.841
where: short stacking energy: -559.309
Base-Backbone interact. energy: -2.512
local terms energy: -637.331432
where:
bonds (distance) C4'-P energy: -126.672
bonds (distance) P-C4' energy: -130.752
flat angles C4'-P-C4' energy: -122.753
flat angles P-C4'-P energy: -105.900
tors. eta vs tors. theta energy: -151.254
Dist. restrs. and SS energy: 4.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -1892.538150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.538150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.673276 (E_RNA)
where:
Base-Base interactions energy: -1266.126
where: short stacking energy: -533.002
Base-Backbone interact. energy: 7.043
local terms energy: -636.590774
where:
bonds (distance) C4'-P energy: -136.487
bonds (distance) P-C4' energy: -137.829
flat angles C4'-P-C4' energy: -141.903
flat angles P-C4'-P energy: -103.591
tors. eta vs tors. theta energy: -116.780
Dist. restrs. and SS energy: 3.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -2933.329227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2933.329227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2935.133167 (E_RNA)
where:
Base-Base interactions energy: -2046.143
where: short stacking energy: -843.397
Base-Backbone interact. energy: 2.682
local terms energy: -891.672732
where:
bonds (distance) C4'-P energy: -154.509
bonds (distance) P-C4' energy: -180.371
flat angles C4'-P-C4' energy: -193.991
flat angles P-C4'-P energy: -117.762
tors. eta vs tors. theta energy: -245.039
Dist. restrs. and SS energy: 1.804 (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: 4
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -2778.700609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.700609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2780.291002 (E_RNA)
where:
Base-Base interactions energy: -1936.583
where: short stacking energy: -823.958
Base-Backbone interact. energy: -4.487
local terms energy: -839.220801
where:
bonds (distance) C4'-P energy: -142.775
bonds (distance) P-C4' energy: -175.131
flat angles C4'-P-C4' energy: -179.019
flat angles P-C4'-P energy: -108.675
tors. eta vs tors. theta energy: -233.620
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: 6
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -2621.500682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.500682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.635618 (E_RNA)
where:
Base-Base interactions energy: -1788.867
where: short stacking energy: -796.089
Base-Backbone interact. energy: -0.773
local terms energy: -832.996418
where:
bonds (distance) C4'-P energy: -145.277
bonds (distance) P-C4' energy: -141.450
flat angles C4'-P-C4' energy: -173.628
flat angles P-C4'-P energy: -132.841
tors. eta vs tors. theta energy: -239.800
Dist. restrs. and SS energy: 1.135 (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: 5
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -2494.538480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.538480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.188137 (E_RNA)
where:
Base-Base interactions energy: -1704.775
where: short stacking energy: -751.230
Base-Backbone interact. energy: -2.759
local terms energy: -788.654346
where:
bonds (distance) C4'-P energy: -148.534
bonds (distance) P-C4' energy: -145.965
flat angles C4'-P-C4' energy: -157.185
flat angles P-C4'-P energy: -109.315
tors. eta vs tors. theta energy: -227.657
Dist. restrs. and SS energy: 1.650 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -2383.533597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.533597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.471742 (E_RNA)
where:
Base-Base interactions energy: -1627.811
where: short stacking energy: -677.788
Base-Backbone interact. energy: 0.277
local terms energy: -756.937598
where:
bonds (distance) C4'-P energy: -142.243
bonds (distance) P-C4' energy: -156.744
flat angles C4'-P-C4' energy: -165.210
flat angles P-C4'-P energy: -110.052
tors. eta vs tors. theta energy: -182.689
Dist. restrs. and SS energy: 0.938 (S_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: 217
Temperature: 1.150000
Total energy: -2218.538398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.538398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.429967 (E_RNA)
where:
Base-Base interactions energy: -1482.454
where: short stacking energy: -647.127
Base-Backbone interact. energy: -4.305
local terms energy: -734.670865
where:
bonds (distance) C4'-P energy: -149.903
bonds (distance) P-C4' energy: -122.270
flat angles C4'-P-C4' energy: -165.531
flat angles P-C4'-P energy: -111.603
tors. eta vs tors. theta energy: -185.364
Dist. restrs. and SS energy: 2.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -2062.197966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.197966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.205243 (E_RNA)
where:
Base-Base interactions energy: -1371.507
where: short stacking energy: -592.512
Base-Backbone interact. energy: 1.601
local terms energy: -694.298983
where:
bonds (distance) C4'-P energy: -149.093
bonds (distance) P-C4' energy: -147.221
flat angles C4'-P-C4' energy: -157.826
flat angles P-C4'-P energy: -89.702
tors. eta vs tors. theta energy: -150.457
Dist. restrs. and SS energy: 2.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -1961.733839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.733839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.841207 (E_RNA)
where:
Base-Base interactions energy: -1375.950
where: short stacking energy: -584.690
Base-Backbone interact. energy: 3.778
local terms energy: -603.669479
where:
bonds (distance) C4'-P energy: -100.269
bonds (distance) P-C4' energy: -135.604
flat angles C4'-P-C4' energy: -141.658
flat angles P-C4'-P energy: -84.778
tors. eta vs tors. theta energy: -141.361
Dist. restrs. and SS energy: 14.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -1946.428189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.428189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.802169 (E_RNA)
where:
Base-Base interactions energy: -1335.340
where: short stacking energy: -545.799
Base-Backbone interact. energy: -4.204
local terms energy: -609.258036
where:
bonds (distance) C4'-P energy: -113.872
bonds (distance) P-C4' energy: -125.565
flat angles C4'-P-C4' energy: -147.184
flat angles P-C4'-P energy: -92.621
tors. eta vs tors. theta energy: -130.016
Dist. restrs. and SS energy: 2.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -1852.285754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.285754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.668652 (E_RNA)
where:
Base-Base interactions energy: -1254.473
where: short stacking energy: -517.123
Base-Backbone interact. energy: -2.353
local terms energy: -598.842770
where:
bonds (distance) C4'-P energy: -131.284
bonds (distance) P-C4' energy: -120.578
flat angles C4'-P-C4' energy: -123.756
flat angles P-C4'-P energy: -90.653
tors. eta vs tors. theta energy: -132.571
Dist. restrs. and SS energy: 3.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -2956.701595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2956.701595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2957.988002 (E_RNA)
where:
Base-Base interactions energy: -2060.367
where: short stacking energy: -869.000
Base-Backbone interact. energy: -2.018
local terms energy: -895.602566
where:
bonds (distance) C4'-P energy: -155.231
bonds (distance) P-C4' energy: -181.445
flat angles C4'-P-C4' energy: -185.549
flat angles P-C4'-P energy: -124.073
tors. eta vs tors. theta energy: -249.305
Dist. restrs. and SS energy: 1.286 (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: 4
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -2777.137751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.137751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.955044 (E_RNA)
where:
Base-Base interactions energy: -1946.175
where: short stacking energy: -784.707
Base-Backbone interact. energy: 1.262
local terms energy: -834.041205
where:
bonds (distance) C4'-P energy: -164.695
bonds (distance) P-C4' energy: -163.959
flat angles C4'-P-C4' energy: -162.367
flat angles P-C4'-P energy: -112.293
tors. eta vs tors. theta energy: -230.728
Dist. restrs. and SS energy: 1.817 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -2625.573307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.573307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.876127 (E_RNA)
where:
Base-Base interactions energy: -1802.317
where: short stacking energy: -779.183
Base-Backbone interact. energy: -1.057
local terms energy: -824.502402
where:
bonds (distance) C4'-P energy: -154.508
bonds (distance) P-C4' energy: -149.542
flat angles C4'-P-C4' energy: -164.618
flat angles P-C4'-P energy: -122.549
tors. eta vs tors. theta energy: -233.284
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: 4, replica: 5
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -2487.563538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.563538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.439555 (E_RNA)
where:
Base-Base interactions energy: -1664.541
where: short stacking energy: -686.707
Base-Backbone interact. energy: -5.937
local terms energy: -819.961226
where:
bonds (distance) C4'-P energy: -157.935
bonds (distance) P-C4' energy: -160.181
flat angles C4'-P-C4' energy: -170.491
flat angles P-C4'-P energy: -118.028
tors. eta vs tors. theta energy: -213.326
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: 5, replica: 7
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -2378.711877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.711877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.079872 (E_RNA)
where:
Base-Base interactions energy: -1618.511
where: short stacking energy: -661.999
Base-Backbone interact. energy: 6.220
local terms energy: -767.788408
where:
bonds (distance) C4'-P energy: -135.935
bonds (distance) P-C4' energy: -172.558
flat angles C4'-P-C4' energy: -169.764
flat angles P-C4'-P energy: -108.002
tors. eta vs tors. theta energy: -181.530
Dist. restrs. and SS energy: 1.368 (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: 2
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -2246.667326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.667326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.750712 (E_RNA)
where:
Base-Base interactions energy: -1531.577
where: short stacking energy: -643.504
Base-Backbone interact. energy: -1.546
local terms energy: -715.627713
where:
bonds (distance) C4'-P energy: -152.363
bonds (distance) P-C4' energy: -138.033
flat angles C4'-P-C4' energy: -153.001
flat angles P-C4'-P energy: -104.340
tors. eta vs tors. theta energy: -167.890
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: 7, replica: 1
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -2069.549288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.549288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.447420 (E_RNA)
where:
Base-Base interactions energy: -1382.435
where: short stacking energy: -604.128
Base-Backbone interact. energy: 2.601
local terms energy: -691.613591
where:
bonds (distance) C4'-P energy: -140.296
bonds (distance) P-C4' energy: -141.718
flat angles C4'-P-C4' energy: -157.868
flat angles P-C4'-P energy: -104.013
tors. eta vs tors. theta energy: -147.719
Dist. restrs. and SS energy: 1.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -1968.639692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.639692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.179713 (E_RNA)
where:
Base-Base interactions energy: -1304.484
where: short stacking energy: -565.817
Base-Backbone interact. energy: 0.549
local terms energy: -678.244705
where:
bonds (distance) C4'-P energy: -127.583
bonds (distance) P-C4' energy: -130.702
flat angles C4'-P-C4' energy: -162.018
flat angles P-C4'-P energy: -102.841
tors. eta vs tors. theta energy: -155.100
Dist. restrs. and SS energy: 13.540 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -1946.897650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.897650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.514743 (E_RNA)
where:
Base-Base interactions energy: -1311.040
where: short stacking energy: -570.702
Base-Backbone interact. energy: -2.781
local terms energy: -635.694029
where:
bonds (distance) C4'-P energy: -128.792
bonds (distance) P-C4' energy: -133.095
flat angles C4'-P-C4' energy: -151.533
flat angles P-C4'-P energy: -88.856
tors. eta vs tors. theta energy: -133.418
Dist. restrs. and SS energy: 2.617 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -1841.453701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.453701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.700612 (E_RNA)
where:
Base-Base interactions energy: -1267.690
where: short stacking energy: -514.630
Base-Backbone interact. energy: -1.053
local terms energy: -574.957440
where:
bonds (distance) C4'-P energy: -120.206
bonds (distance) P-C4' energy: -129.570
flat angles C4'-P-C4' energy: -131.475
flat angles P-C4'-P energy: -81.587
tors. eta vs tors. theta energy: -112.119
Dist. restrs. and SS energy: 2.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -2951.517459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2951.517459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2953.264736 (E_RNA)
where:
Base-Base interactions energy: -2068.098
where: short stacking energy: -851.495
Base-Backbone interact. energy: 0.257
local terms energy: -885.424201
where:
bonds (distance) C4'-P energy: -164.649
bonds (distance) P-C4' energy: -167.539
flat angles C4'-P-C4' energy: -173.626
flat angles P-C4'-P energy: -136.819
tors. eta vs tors. theta energy: -242.792
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: 4
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -2777.439791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.439791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.861039 (E_RNA)
where:
Base-Base interactions energy: -1935.870
where: short stacking energy: -791.280
Base-Backbone interact. energy: 3.233
local terms energy: -847.224264
where:
bonds (distance) C4'-P energy: -153.769
bonds (distance) P-C4' energy: -162.048
flat angles C4'-P-C4' energy: -179.898
flat angles P-C4'-P energy: -119.973
tors. eta vs tors. theta energy: -231.537
Dist. restrs. and SS energy: 2.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -2602.203464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.203464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.630575 (E_RNA)
where:
Base-Base interactions energy: -1795.421
where: short stacking energy: -759.494
Base-Backbone interact. energy: 2.772
local terms energy: -811.981820
where:
bonds (distance) C4'-P energy: -145.256
bonds (distance) P-C4' energy: -153.984
flat angles C4'-P-C4' energy: -182.230
flat angles P-C4'-P energy: -106.975
tors. eta vs tors. theta energy: -223.536
Dist. restrs. and SS energy: 2.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -2465.237139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.237139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.059288 (E_RNA)
where:
Base-Base interactions energy: -1671.528
where: short stacking energy: -712.835
Base-Backbone interact. energy: 1.027
local terms energy: -796.558154
where:
bonds (distance) C4'-P energy: -147.297
bonds (distance) P-C4' energy: -155.760
flat angles C4'-P-C4' energy: -176.444
flat angles P-C4'-P energy: -116.083
tors. eta vs tors. theta energy: -200.975
Dist. restrs. and SS energy: 1.822 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -2421.449934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.449934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.395308 (E_RNA)
where:
Base-Base interactions energy: -1676.069
where: short stacking energy: -704.409
Base-Backbone interact. energy: -4.308
local terms energy: -743.018290
where:
bonds (distance) C4'-P energy: -134.736
bonds (distance) P-C4' energy: -141.470
flat angles C4'-P-C4' energy: -156.735
flat angles P-C4'-P energy: -111.926
tors. eta vs tors. theta energy: -198.151
Dist. restrs. and SS energy: 1.945 (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: 2
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -2212.307381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.307381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.158935 (E_RNA)
where:
Base-Base interactions energy: -1501.342
where: short stacking energy: -645.621
Base-Backbone interact. energy: 0.640
local terms energy: -713.457292
where:
bonds (distance) C4'-P energy: -146.420
bonds (distance) P-C4' energy: -138.304
flat angles C4'-P-C4' energy: -152.031
flat angles P-C4'-P energy: -101.223
tors. eta vs tors. theta energy: -175.479
Dist. restrs. and SS energy: 1.852 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -2087.890668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.890668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.106717 (E_RNA)
where:
Base-Base interactions energy: -1395.667
where: short stacking energy: -602.691
Base-Backbone interact. energy: -3.258
local terms energy: -692.181500
where:
bonds (distance) C4'-P energy: -146.906
bonds (distance) P-C4' energy: -132.887
flat angles C4'-P-C4' energy: -154.505
flat angles P-C4'-P energy: -92.505
tors. eta vs tors. theta energy: -165.378
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: 8, replica: 10
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -1948.493890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.493890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.906825 (E_RNA)
where:
Base-Base interactions energy: -1309.457
where: short stacking energy: -556.653
Base-Backbone interact. energy: 0.836
local terms energy: -647.285329
where:
bonds (distance) C4'-P energy: -132.221
bonds (distance) P-C4' energy: -139.984
flat angles C4'-P-C4' energy: -146.305
flat angles P-C4'-P energy: -82.575
tors. eta vs tors. theta energy: -146.199
Dist. restrs. and SS energy: 7.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -1891.621110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.621110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.888895 (E_RNA)
where:
Base-Base interactions energy: -1289.175
where: short stacking energy: -549.303
Base-Backbone interact. energy: -0.473
local terms energy: -604.241524
where:
bonds (distance) C4'-P energy: -127.614
bonds (distance) P-C4' energy: -118.581
flat angles C4'-P-C4' energy: -140.205
flat angles P-C4'-P energy: -80.403
tors. eta vs tors. theta energy: -137.438
Dist. restrs. and SS energy: 2.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -1816.068198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.068198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.356149 (E_RNA)
where:
Base-Base interactions energy: -1242.402
where: short stacking energy: -512.465
Base-Backbone interact. energy: -5.816
local terms energy: -570.138397
where:
bonds (distance) C4'-P energy: -140.524
bonds (distance) P-C4' energy: -107.284
flat angles C4'-P-C4' energy: -119.435
flat angles P-C4'-P energy: -77.839
tors. eta vs tors. theta energy: -125.056
Dist. restrs. and SS energy: 2.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -2969.497069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2969.497069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2971.637343 (E_RNA)
where:
Base-Base interactions energy: -2078.528
where: short stacking energy: -838.969
Base-Backbone interact. energy: -6.259
local terms energy: -886.849918
where:
bonds (distance) C4'-P energy: -160.961
bonds (distance) P-C4' energy: -170.712
flat angles C4'-P-C4' energy: -193.782
flat angles P-C4'-P energy: -114.875
tors. eta vs tors. theta energy: -246.520
Dist. restrs. and SS energy: 2.140 (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: 4
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -2786.143242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.143242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.193817 (E_RNA)
where:
Base-Base interactions energy: -1928.617
where: short stacking energy: -798.701
Base-Backbone interact. energy: -0.535
local terms energy: -859.041690
where:
bonds (distance) C4'-P energy: -169.855
bonds (distance) P-C4' energy: -163.366
flat angles C4'-P-C4' energy: -183.213
flat angles P-C4'-P energy: -116.929
tors. eta vs tors. theta energy: -225.679
Dist. restrs. and SS energy: 2.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -2611.299121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.299121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.319907 (E_RNA)
where:
Base-Base interactions energy: -1784.586
where: short stacking energy: -785.321
Base-Backbone interact. energy: -3.176
local terms energy: -825.557619
where:
bonds (distance) C4'-P energy: -146.893
bonds (distance) P-C4' energy: -141.702
flat angles C4'-P-C4' energy: -188.020
flat angles P-C4'-P energy: -117.821
tors. eta vs tors. theta energy: -231.122
Dist. restrs. and SS energy: 2.021 (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: 7
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -2528.952678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.952678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.494006 (E_RNA)
where:
Base-Base interactions energy: -1753.987
where: short stacking energy: -735.441
Base-Backbone interact. energy: -1.628
local terms energy: -774.879165
where:
bonds (distance) C4'-P energy: -124.632
bonds (distance) P-C4' energy: -150.951
flat angles C4'-P-C4' energy: -177.469
flat angles P-C4'-P energy: -107.790
tors. eta vs tors. theta energy: -214.037
Dist. restrs. and SS energy: 1.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -2443.516841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.516841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.657688 (E_RNA)
where:
Base-Base interactions energy: -1683.299
where: short stacking energy: -695.087
Base-Backbone interact. energy: -1.131
local terms energy: -760.227626
where:
bonds (distance) C4'-P energy: -132.378
bonds (distance) P-C4' energy: -153.525
flat angles C4'-P-C4' energy: -174.758
flat angles P-C4'-P energy: -103.799
tors. eta vs tors. theta energy: -195.767
Dist. restrs. and SS energy: 1.141 (S_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: 220
Temperature: 1.150000
Total energy: -2206.311091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.311091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.065860 (E_RNA)
where:
Base-Base interactions energy: -1492.395
where: short stacking energy: -624.293
Base-Backbone interact. energy: -2.821
local terms energy: -712.849752
where:
bonds (distance) C4'-P energy: -140.417
bonds (distance) P-C4' energy: -148.388
flat angles C4'-P-C4' energy: -151.743
flat angles P-C4'-P energy: -92.147
tors. eta vs tors. theta energy: -180.155
Dist. restrs. and SS energy: 1.755 (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: 220
Temperature: 1.200000
Total energy: -2074.202215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.202215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.800158 (E_RNA)
where:
Base-Base interactions energy: -1424.449
where: short stacking energy: -598.694
Base-Backbone interact. energy: -3.325
local terms energy: -647.025617
where:
bonds (distance) C4'-P energy: -142.584
bonds (distance) P-C4' energy: -134.425
flat angles C4'-P-C4' energy: -124.190
flat angles P-C4'-P energy: -102.017
tors. eta vs tors. theta energy: -143.810
Dist. restrs. and SS energy: 0.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -1959.254290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.254290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.885016 (E_RNA)
where:
Base-Base interactions energy: -1325.303
where: short stacking energy: -561.681
Base-Backbone interact. energy: -2.292
local terms energy: -636.290719
where:
bonds (distance) C4'-P energy: -107.746
bonds (distance) P-C4' energy: -133.623
flat angles C4'-P-C4' energy: -159.236
flat angles P-C4'-P energy: -93.011
tors. eta vs tors. theta energy: -142.675
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: 9, replica: 8
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -1945.150022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.150022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.206743 (E_RNA)
where:
Base-Base interactions energy: -1337.790
where: short stacking energy: -550.236
Base-Backbone interact. energy: -1.335
local terms energy: -608.081446
where:
bonds (distance) C4'-P energy: -125.624
bonds (distance) P-C4' energy: -122.056
flat angles C4'-P-C4' energy: -142.370
flat angles P-C4'-P energy: -78.751
tors. eta vs tors. theta energy: -139.280
Dist. restrs. and SS energy: 2.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -1867.326374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.326374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.306442 (E_RNA)
where:
Base-Base interactions energy: -1253.885
where: short stacking energy: -523.913
Base-Backbone interact. energy: -2.658
local terms energy: -615.763081
where:
bonds (distance) C4'-P energy: -122.445
bonds (distance) P-C4' energy: -120.581
flat angles C4'-P-C4' energy: -149.291
flat angles P-C4'-P energy: -83.094
tors. eta vs tors. theta energy: -140.352
Dist. restrs. and SS energy: 4.980 (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: 9
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -2982.223699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2982.223699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2983.455130 (E_RNA)
where:
Base-Base interactions energy: -2076.730
where: short stacking energy: -863.092
Base-Backbone interact. energy: 1.843
local terms energy: -908.568767
where:
bonds (distance) C4'-P energy: -159.663
bonds (distance) P-C4' energy: -167.481
flat angles C4'-P-C4' energy: -190.026
flat angles P-C4'-P energy: -135.143
tors. eta vs tors. theta energy: -256.255
Dist. restrs. and SS energy: 1.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -2763.892730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2763.892730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.365039 (E_RNA)
where:
Base-Base interactions energy: -1918.024
where: short stacking energy: -796.475
Base-Backbone interact. energy: 2.278
local terms energy: -850.618737
where:
bonds (distance) C4'-P energy: -154.103
bonds (distance) P-C4' energy: -159.532
flat angles C4'-P-C4' energy: -190.051
flat angles P-C4'-P energy: -115.882
tors. eta vs tors. theta energy: -231.050
Dist. restrs. and SS energy: 2.472 (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: 6
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -2642.220008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.220008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.201450 (E_RNA)
where:
Base-Base interactions energy: -1801.645
where: short stacking energy: -765.559
Base-Backbone interact. energy: 0.149
local terms energy: -841.705922
where:
bonds (distance) C4'-P energy: -149.240
bonds (distance) P-C4' energy: -164.820
flat angles C4'-P-C4' energy: -175.760
flat angles P-C4'-P energy: -125.421
tors. eta vs tors. theta energy: -226.464
Dist. restrs. and SS energy: 0.981 (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: 5
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -2538.094885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.094885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.221201 (E_RNA)
where:
Base-Base interactions energy: -1723.752
where: short stacking energy: -755.482
Base-Backbone interact. energy: -2.032
local terms energy: -814.437837
where:
bonds (distance) C4'-P energy: -155.093
bonds (distance) P-C4' energy: -146.920
flat angles C4'-P-C4' energy: -171.688
flat angles P-C4'-P energy: -116.891
tors. eta vs tors. theta energy: -223.847
Dist. restrs. and SS energy: 2.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -2427.002344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.002344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.008415 (E_RNA)
where:
Base-Base interactions energy: -1682.881
where: short stacking energy: -697.683
Base-Backbone interact. energy: -3.461
local terms energy: -742.666557
where:
bonds (distance) C4'-P energy: -139.027
bonds (distance) P-C4' energy: -152.054
flat angles C4'-P-C4' energy: -154.317
flat angles P-C4'-P energy: -102.588
tors. eta vs tors. theta energy: -194.680
Dist. restrs. and SS energy: 2.006 (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: 2
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -2188.660838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.660838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.667222 (E_RNA)
where:
Base-Base interactions energy: -1489.212
where: short stacking energy: -638.281
Base-Backbone interact. energy: 5.079
local terms energy: -707.533647
where:
bonds (distance) C4'-P energy: -130.853
bonds (distance) P-C4' energy: -141.229
flat angles C4'-P-C4' energy: -165.986
flat angles P-C4'-P energy: -84.805
tors. eta vs tors. theta energy: -184.661
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: 7, replica: 1
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -2126.583616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.583616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.765196 (E_RNA)
where:
Base-Base interactions energy: -1420.458
where: short stacking energy: -621.893
Base-Backbone interact. energy: -3.178
local terms energy: -705.129044
where:
bonds (distance) C4'-P energy: -133.376
bonds (distance) P-C4' energy: -140.541
flat angles C4'-P-C4' energy: -163.628
flat angles P-C4'-P energy: -110.179
tors. eta vs tors. theta energy: -157.406
Dist. restrs. and SS energy: 2.182 (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: 10
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -1989.643718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.643718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.764543 (E_RNA)
where:
Base-Base interactions energy: -1334.233
where: short stacking energy: -570.830
Base-Backbone interact. energy: -1.690
local terms energy: -658.842040
where:
bonds (distance) C4'-P energy: -124.700
bonds (distance) P-C4' energy: -136.674
flat angles C4'-P-C4' energy: -152.753
flat angles P-C4'-P energy: -88.728
tors. eta vs tors. theta energy: -155.986
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: 9, replica: 8
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -1937.623324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.623324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.026385 (E_RNA)
where:
Base-Base interactions energy: -1302.280
where: short stacking energy: -529.555
Base-Backbone interact. energy: -4.017
local terms energy: -633.729453
where:
bonds (distance) C4'-P energy: -125.471
bonds (distance) P-C4' energy: -145.708
flat angles C4'-P-C4' energy: -126.562
flat angles P-C4'-P energy: -86.100
tors. eta vs tors. theta energy: -149.889
Dist. restrs. and SS energy: 2.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -1842.564276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.564276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.127117 (E_RNA)
where:
Base-Base interactions energy: -1263.900
where: short stacking energy: -527.876
Base-Backbone interact. energy: -3.871
local terms energy: -577.355753
where:
bonds (distance) C4'-P energy: -127.632
bonds (distance) P-C4' energy: -123.091
flat angles C4'-P-C4' energy: -120.561
flat angles P-C4'-P energy: -73.999
tors. eta vs tors. theta energy: -132.072
Dist. restrs. and SS energy: 2.563 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -2957.120110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2957.120110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2959.120204 (E_RNA)
where:
Base-Base interactions energy: -2073.524
where: short stacking energy: -835.525
Base-Backbone interact. energy: 3.006
local terms energy: -888.602622
where:
bonds (distance) C4'-P energy: -162.555
bonds (distance) P-C4' energy: -176.941
flat angles C4'-P-C4' energy: -198.562
flat angles P-C4'-P energy: -115.710
tors. eta vs tors. theta energy: -234.835
Dist. restrs. and SS energy: 2.000 (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: 4
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -2758.565817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.565817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.506148 (E_RNA)
where:
Base-Base interactions energy: -1892.155
where: short stacking energy: -807.045
Base-Backbone interact. energy: -2.680
local terms energy: -866.670742
where:
bonds (distance) C4'-P energy: -143.673
bonds (distance) P-C4' energy: -166.548
flat angles C4'-P-C4' energy: -193.423
flat angles P-C4'-P energy: -133.603
tors. eta vs tors. theta energy: -229.424
Dist. restrs. and SS energy: 2.940 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -2646.782482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.782482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.735342 (E_RNA)
where:
Base-Base interactions energy: -1771.536
where: short stacking energy: -769.118
Base-Backbone interact. energy: -1.864
local terms energy: -876.335786
where:
bonds (distance) C4'-P energy: -163.287
bonds (distance) P-C4' energy: -169.446
flat angles C4'-P-C4' energy: -191.529
flat angles P-C4'-P energy: -119.883
tors. eta vs tors. theta energy: -232.190
Dist. restrs. and SS energy: 2.953 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -2509.444305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.444305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.675976 (E_RNA)
where:
Base-Base interactions energy: -1735.726
where: short stacking energy: -744.666
Base-Backbone interact. energy: 4.000
local terms energy: -779.949629
where:
bonds (distance) C4'-P energy: -148.318
bonds (distance) P-C4' energy: -135.372
flat angles C4'-P-C4' energy: -174.120
flat angles P-C4'-P energy: -114.592
tors. eta vs tors. theta energy: -207.548
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: 7
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -2392.390502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.390502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.331297 (E_RNA)
where:
Base-Base interactions energy: -1615.497
where: short stacking energy: -701.347
Base-Backbone interact. energy: -2.995
local terms energy: -775.839213
where:
bonds (distance) C4'-P energy: -134.159
bonds (distance) P-C4' energy: -153.695
flat angles C4'-P-C4' energy: -182.519
flat angles P-C4'-P energy: -108.234
tors. eta vs tors. theta energy: -197.232
Dist. restrs. and SS energy: 1.941 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -2203.408662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.408662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.254183 (E_RNA)
where:
Base-Base interactions energy: -1483.886
where: short stacking energy: -662.457
Base-Backbone interact. energy: -1.040
local terms energy: -721.328271
where:
bonds (distance) C4'-P energy: -141.645
bonds (distance) P-C4' energy: -138.435
flat angles C4'-P-C4' energy: -155.608
flat angles P-C4'-P energy: -88.213
tors. eta vs tors. theta energy: -197.428
Dist. restrs. and SS energy: 2.846 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -2127.586613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.586613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.688746 (E_RNA)
where:
Base-Base interactions energy: -1444.012
where: short stacking energy: -611.395
Base-Backbone interact. energy: -0.392
local terms energy: -685.285123
where:
bonds (distance) C4'-P energy: -141.815
bonds (distance) P-C4' energy: -116.803
flat angles C4'-P-C4' energy: -160.749
flat angles P-C4'-P energy: -90.853
tors. eta vs tors. theta energy: -175.065
Dist. restrs. and SS energy: 2.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -1998.792670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.792670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.916680 (E_RNA)
where:
Base-Base interactions energy: -1385.345
where: short stacking energy: -577.668
Base-Backbone interact. energy: 1.247
local terms energy: -620.818393
where:
bonds (distance) C4'-P energy: -122.459
bonds (distance) P-C4' energy: -129.849
flat angles C4'-P-C4' energy: -136.330
flat angles P-C4'-P energy: -90.585
tors. eta vs tors. theta energy: -141.595
Dist. restrs. and SS energy: 6.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -1929.074815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.074815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.555176 (E_RNA)
where:
Base-Base interactions energy: -1284.853
where: short stacking energy: -529.210
Base-Backbone interact. energy: -4.331
local terms energy: -643.371052
where:
bonds (distance) C4'-P energy: -142.338
bonds (distance) P-C4' energy: -118.418
flat angles C4'-P-C4' energy: -147.260
flat angles P-C4'-P energy: -83.449
tors. eta vs tors. theta energy: -151.907
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: 10, replica: 3
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -1877.431098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.431098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.201663 (E_RNA)
where:
Base-Base interactions energy: -1279.775
where: short stacking energy: -515.650
Base-Backbone interact. energy: 6.790
local terms energy: -606.216396
where:
bonds (distance) C4'-P energy: -127.410
bonds (distance) P-C4' energy: -121.888
flat angles C4'-P-C4' energy: -147.421
flat angles P-C4'-P energy: -84.216
tors. eta vs tors. theta energy: -125.280
Dist. restrs. and SS energy: 1.771 (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: 9
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -2956.430566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2956.430566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2958.030084 (E_RNA)
where:
Base-Base interactions energy: -2092.451
where: short stacking energy: -855.190
Base-Backbone interact. energy: 8.901
local terms energy: -874.480585
where:
bonds (distance) C4'-P energy: -164.448
bonds (distance) P-C4' energy: -156.934
flat angles C4'-P-C4' energy: -176.694
flat angles P-C4'-P energy: -129.060
tors. eta vs tors. theta energy: -247.344
Dist. restrs. and SS energy: 1.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -2741.986233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.986233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.614596 (E_RNA)
where:
Base-Base interactions energy: -1917.207
where: short stacking energy: -807.495
Base-Backbone interact. energy: -2.044
local terms energy: -825.363379
where:
bonds (distance) C4'-P energy: -154.792
bonds (distance) P-C4' energy: -145.723
flat angles C4'-P-C4' energy: -171.199
flat angles P-C4'-P energy: -119.343
tors. eta vs tors. theta energy: -234.306
Dist. restrs. and SS energy: 2.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -2615.866916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.866916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.932710 (E_RNA)
where:
Base-Base interactions energy: -1781.952
where: short stacking energy: -772.380
Base-Backbone interact. energy: -2.054
local terms energy: -832.925976
where:
bonds (distance) C4'-P energy: -154.958
bonds (distance) P-C4' energy: -151.092
flat angles C4'-P-C4' energy: -186.854
flat angles P-C4'-P energy: -113.962
tors. eta vs tors. theta energy: -226.059
Dist. restrs. and SS energy: 1.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -2497.356100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.356100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.843762 (E_RNA)
where:
Base-Base interactions energy: -1697.440
where: short stacking energy: -720.522
Base-Backbone interact. energy: -4.172
local terms energy: -797.231928
where:
bonds (distance) C4'-P energy: -143.745
bonds (distance) P-C4' energy: -163.733
flat angles C4'-P-C4' energy: -171.498
flat angles P-C4'-P energy: -114.811
tors. eta vs tors. theta energy: -203.444
Dist. restrs. and SS energy: 1.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -2369.456998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.456998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.615005 (E_RNA)
where:
Base-Base interactions energy: -1605.121
where: short stacking energy: -673.943
Base-Backbone interact. energy: 2.113
local terms energy: -769.606666
where:
bonds (distance) C4'-P energy: -134.833
bonds (distance) P-C4' energy: -151.739
flat angles C4'-P-C4' energy: -172.143
flat angles P-C4'-P energy: -120.521
tors. eta vs tors. theta energy: -190.371
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: 6, replica: 2
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -2192.781912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.781912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.911163 (E_RNA)
where:
Base-Base interactions energy: -1483.640
where: short stacking energy: -633.068
Base-Backbone interact. energy: 2.975
local terms energy: -716.245641
where:
bonds (distance) C4'-P energy: -137.904
bonds (distance) P-C4' energy: -161.723
flat angles C4'-P-C4' energy: -149.487
flat angles P-C4'-P energy: -102.415
tors. eta vs tors. theta energy: -164.717
Dist. restrs. and SS energy: 4.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -2093.951192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.951192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.795499 (E_RNA)
where:
Base-Base interactions energy: -1382.973
where: short stacking energy: -604.610
Base-Backbone interact. energy: -1.642
local terms energy: -712.179959
where:
bonds (distance) C4'-P energy: -134.576
bonds (distance) P-C4' energy: -155.868
flat angles C4'-P-C4' energy: -162.848
flat angles P-C4'-P energy: -89.092
tors. eta vs tors. theta energy: -169.796
Dist. restrs. and SS energy: 2.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -2009.927431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.927431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.603493 (E_RNA)
where:
Base-Base interactions energy: -1366.913
where: short stacking energy: -579.160
Base-Backbone interact. energy: -0.421
local terms energy: -644.269540
where:
bonds (distance) C4'-P energy: -119.942
bonds (distance) P-C4' energy: -131.754
flat angles C4'-P-C4' energy: -146.539
flat angles P-C4'-P energy: -93.682
tors. eta vs tors. theta energy: -152.352
Dist. restrs. and SS energy: 1.676 (S_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: 223
Temperature: 1.300000
Total energy: -1894.879911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.879911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.722841 (E_RNA)
where:
Base-Base interactions energy: -1263.831
where: short stacking energy: -557.222
Base-Backbone interact. energy: -3.981
local terms energy: -640.911212
where:
bonds (distance) C4'-P energy: -145.390
bonds (distance) P-C4' energy: -141.494
flat angles C4'-P-C4' energy: -135.077
flat angles P-C4'-P energy: -75.210
tors. eta vs tors. theta energy: -143.740
Dist. restrs. and SS energy: 13.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -1860.155022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.155022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.211520 (E_RNA)
where:
Base-Base interactions energy: -1262.351
where: short stacking energy: -518.348
Base-Backbone interact. energy: -2.139
local terms energy: -598.720686
where:
bonds (distance) C4'-P energy: -144.673
bonds (distance) P-C4' energy: -130.035
flat angles C4'-P-C4' energy: -134.550
flat angles P-C4'-P energy: -71.040
tors. eta vs tors. theta energy: -118.423
Dist. restrs. and SS energy: 3.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -2933.359945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2933.359945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2935.703559 (E_RNA)
where:
Base-Base interactions energy: -2032.211
where: short stacking energy: -841.623
Base-Backbone interact. energy: -1.868
local terms energy: -901.624712
where:
bonds (distance) C4'-P energy: -183.126
bonds (distance) P-C4' energy: -160.309
flat angles C4'-P-C4' energy: -191.149
flat angles P-C4'-P energy: -128.418
tors. eta vs tors. theta energy: -238.623
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: 4
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -2765.655184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2765.655184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.713378 (E_RNA)
where:
Base-Base interactions energy: -1927.146
where: short stacking energy: -813.868
Base-Backbone interact. energy: -3.186
local terms energy: -838.381118
where:
bonds (distance) C4'-P energy: -163.665
bonds (distance) P-C4' energy: -151.288
flat angles C4'-P-C4' energy: -175.703
flat angles P-C4'-P energy: -119.321
tors. eta vs tors. theta energy: -228.404
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: 6
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -2584.108173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.108173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.576115 (E_RNA)
where:
Base-Base interactions energy: -1737.974
where: short stacking energy: -766.224
Base-Backbone interact. energy: -4.313
local terms energy: -844.289165
where:
bonds (distance) C4'-P energy: -140.280
bonds (distance) P-C4' energy: -171.598
flat angles C4'-P-C4' energy: -183.643
flat angles P-C4'-P energy: -121.554
tors. eta vs tors. theta energy: -227.214
Dist. restrs. and SS energy: 2.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -2493.046674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.046674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.238855 (E_RNA)
where:
Base-Base interactions energy: -1682.082
where: short stacking energy: -726.462
Base-Backbone interact. energy: 1.127
local terms energy: -814.283609
where:
bonds (distance) C4'-P energy: -164.860
bonds (distance) P-C4' energy: -141.868
flat angles C4'-P-C4' energy: -174.739
flat angles P-C4'-P energy: -114.314
tors. eta vs tors. theta energy: -218.502
Dist. restrs. and SS energy: 2.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -2359.677658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.677658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.617440 (E_RNA)
where:
Base-Base interactions energy: -1612.153
where: short stacking energy: -693.966
Base-Backbone interact. energy: -0.609
local terms energy: -748.856384
where:
bonds (distance) C4'-P energy: -140.180
bonds (distance) P-C4' energy: -168.656
flat angles C4'-P-C4' energy: -166.312
flat angles P-C4'-P energy: -90.470
tors. eta vs tors. theta energy: -183.237
Dist. restrs. and SS energy: 1.940 (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: 2
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -2218.329657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.329657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.975443 (E_RNA)
where:
Base-Base interactions energy: -1478.076
where: short stacking energy: -658.354
Base-Backbone interact. energy: -1.763
local terms energy: -741.137094
where:
bonds (distance) C4'-P energy: -130.752
bonds (distance) P-C4' energy: -150.195
flat angles C4'-P-C4' energy: -166.218
flat angles P-C4'-P energy: -97.907
tors. eta vs tors. theta energy: -196.065
Dist. restrs. and SS energy: 2.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -2100.240022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.240022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.871999 (E_RNA)
where:
Base-Base interactions energy: -1401.755
where: short stacking energy: -615.840
Base-Backbone interact. energy: -2.651
local terms energy: -697.465559
where:
bonds (distance) C4'-P energy: -129.134
bonds (distance) P-C4' energy: -122.763
flat angles C4'-P-C4' energy: -168.231
flat angles P-C4'-P energy: -105.668
tors. eta vs tors. theta energy: -171.670
Dist. restrs. and SS energy: 1.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -1962.319714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.319714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.817571 (E_RNA)
where:
Base-Base interactions energy: -1337.599
where: short stacking energy: -563.005
Base-Backbone interact. energy: -0.153
local terms energy: -627.065390
where:
bonds (distance) C4'-P energy: -122.353
bonds (distance) P-C4' energy: -121.936
flat angles C4'-P-C4' energy: -164.105
flat angles P-C4'-P energy: -92.172
tors. eta vs tors. theta energy: -126.499
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: 9, replica: 3
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -1858.737912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.737912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.758552 (E_RNA)
where:
Base-Base interactions energy: -1293.918
where: short stacking energy: -513.084
Base-Backbone interact. energy: -4.415
local terms energy: -563.426431
where:
bonds (distance) C4'-P energy: -124.200
bonds (distance) P-C4' energy: -115.365
flat angles C4'-P-C4' energy: -118.411
flat angles P-C4'-P energy: -81.647
tors. eta vs tors. theta energy: -123.805
Dist. restrs. and SS energy: 3.021 (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: 10
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -1801.153544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.153544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.616191 (E_RNA)
where:
Base-Base interactions energy: -1220.565
where: short stacking energy: -498.779
Base-Backbone interact. energy: -2.310
local terms energy: -584.740555
where:
bonds (distance) C4'-P energy: -105.881
bonds (distance) P-C4' energy: -146.389
flat angles C4'-P-C4' energy: -140.341
flat angles P-C4'-P energy: -74.105
tors. eta vs tors. theta energy: -118.024
Dist. restrs. and SS energy: 6.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -2955.822926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2955.822926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2956.531246 (E_RNA)
where:
Base-Base interactions energy: -2066.790
where: short stacking energy: -834.032
Base-Backbone interact. energy: -2.889
local terms energy: -886.851878
where:
bonds (distance) C4'-P energy: -157.365
bonds (distance) P-C4' energy: -166.488
flat angles C4'-P-C4' energy: -189.248
flat angles P-C4'-P energy: -133.565
tors. eta vs tors. theta energy: -240.186
Dist. restrs. and SS energy: 0.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -2779.396466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2779.396466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.899987 (E_RNA)
where:
Base-Base interactions energy: -1930.299
where: short stacking energy: -840.180
Base-Backbone interact. energy: -2.404
local terms energy: -850.197119
where:
bonds (distance) C4'-P energy: -148.115
bonds (distance) P-C4' energy: -160.636
flat angles C4'-P-C4' energy: -174.982
flat angles P-C4'-P energy: -125.409
tors. eta vs tors. theta energy: -241.055
Dist. restrs. and SS energy: 3.504 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -2608.033203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.033203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.458571 (E_RNA)
where:
Base-Base interactions energy: -1770.233
where: short stacking energy: -763.521
Base-Backbone interact. energy: -1.191
local terms energy: -840.034261
where:
bonds (distance) C4'-P energy: -167.858
bonds (distance) P-C4' energy: -150.382
flat angles C4'-P-C4' energy: -179.538
flat angles P-C4'-P energy: -117.405
tors. eta vs tors. theta energy: -224.851
Dist. restrs. and SS energy: 3.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -2548.161286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.161286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.367945 (E_RNA)
where:
Base-Base interactions energy: -1716.692
where: short stacking energy: -711.906
Base-Backbone interact. energy: -4.543
local terms energy: -828.133097
where:
bonds (distance) C4'-P energy: -142.620
bonds (distance) P-C4' energy: -175.321
flat angles C4'-P-C4' energy: -184.529
flat angles P-C4'-P energy: -112.367
tors. eta vs tors. theta energy: -213.296
Dist. restrs. and SS energy: 1.207 (S_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: 225
Temperature: 1.100000
Total energy: -2347.936619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.936619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.317384 (E_RNA)
where:
Base-Base interactions energy: -1590.236
where: short stacking energy: -712.919
Base-Backbone interact. energy: 0.768
local terms energy: -760.849367
where:
bonds (distance) C4'-P energy: -159.410
bonds (distance) P-C4' energy: -129.571
flat angles C4'-P-C4' energy: -168.006
flat angles P-C4'-P energy: -104.771
tors. eta vs tors. theta energy: -199.091
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: 6, replica: 2
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -2204.809126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.809126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.887281 (E_RNA)
where:
Base-Base interactions energy: -1474.775
where: short stacking energy: -644.314
Base-Backbone interact. energy: 1.239
local terms energy: -733.351616
where:
bonds (distance) C4'-P energy: -134.801
bonds (distance) P-C4' energy: -150.677
flat angles C4'-P-C4' energy: -161.576
flat angles P-C4'-P energy: -99.674
tors. eta vs tors. theta energy: -186.623
Dist. restrs. and SS energy: 2.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -2129.154110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.154110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.926251 (E_RNA)
where:
Base-Base interactions energy: -1440.837
where: short stacking energy: -625.399
Base-Backbone interact. energy: 0.118
local terms energy: -691.207314
where:
bonds (distance) C4'-P energy: -131.806
bonds (distance) P-C4' energy: -132.425
flat angles C4'-P-C4' energy: -154.008
flat angles P-C4'-P energy: -90.487
tors. eta vs tors. theta energy: -182.481
Dist. restrs. and SS energy: 2.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -1920.087353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.087353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.343455 (E_RNA)
where:
Base-Base interactions energy: -1310.203
where: short stacking energy: -556.564
Base-Backbone interact. energy: -4.204
local terms energy: -610.936694
where:
bonds (distance) C4'-P energy: -113.815
bonds (distance) P-C4' energy: -125.268
flat angles C4'-P-C4' energy: -147.626
flat angles P-C4'-P energy: -96.797
tors. eta vs tors. theta energy: -127.430
Dist. restrs. and SS energy: 5.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -1941.908452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.908452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.346967 (E_RNA)
where:
Base-Base interactions energy: -1347.091
where: short stacking energy: -554.139
Base-Backbone interact. energy: -0.214
local terms energy: -598.041953
where:
bonds (distance) C4'-P energy: -135.991
bonds (distance) P-C4' energy: -112.548
flat angles C4'-P-C4' energy: -135.459
flat angles P-C4'-P energy: -75.761
tors. eta vs tors. theta energy: -138.284
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: 10, replica: 10
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -1870.751116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.751116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.692790 (E_RNA)
where:
Base-Base interactions energy: -1262.466
where: short stacking energy: -518.725
Base-Backbone interact. energy: 6.728
local terms energy: -618.955395
where:
bonds (distance) C4'-P energy: -128.565
bonds (distance) P-C4' energy: -127.233
flat angles C4'-P-C4' energy: -161.062
flat angles P-C4'-P energy: -78.976
tors. eta vs tors. theta energy: -123.118
Dist. restrs. and SS energy: 3.942 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -2950.294024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2950.294024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2951.792522 (E_RNA)
where:
Base-Base interactions energy: -2079.554
where: short stacking energy: -845.648
Base-Backbone interact. energy: -1.796
local terms energy: -870.442340
where:
bonds (distance) C4'-P energy: -150.985
bonds (distance) P-C4' energy: -158.372
flat angles C4'-P-C4' energy: -186.670
flat angles P-C4'-P energy: -144.136
tors. eta vs tors. theta energy: -230.280
Dist. restrs. and SS energy: 1.498 (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: 4
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -2754.575160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.575160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.549065 (E_RNA)
where:
Base-Base interactions energy: -1921.544
where: short stacking energy: -809.305
Base-Backbone interact. energy: 0.630
local terms energy: -836.635734
where:
bonds (distance) C4'-P energy: -158.532
bonds (distance) P-C4' energy: -160.525
flat angles C4'-P-C4' energy: -181.461
flat angles P-C4'-P energy: -109.902
tors. eta vs tors. theta energy: -226.217
Dist. restrs. and SS energy: 2.974 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -2599.384690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.384690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.692063 (E_RNA)
where:
Base-Base interactions energy: -1740.967
where: short stacking energy: -784.954
Base-Backbone interact. energy: -1.190
local terms energy: -858.534923
where:
bonds (distance) C4'-P energy: -162.102
bonds (distance) P-C4' energy: -159.768
flat angles C4'-P-C4' energy: -186.721
flat angles P-C4'-P energy: -113.717
tors. eta vs tors. theta energy: -236.227
Dist. restrs. and SS energy: 1.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -2559.098586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.098586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.868950 (E_RNA)
where:
Base-Base interactions energy: -1771.665
where: short stacking energy: -747.039
Base-Backbone interact. energy: -0.308
local terms energy: -788.896200
where:
bonds (distance) C4'-P energy: -145.314
bonds (distance) P-C4' energy: -150.458
flat angles C4'-P-C4' energy: -172.002
flat angles P-C4'-P energy: -105.163
tors. eta vs tors. theta energy: -215.959
Dist. restrs. and SS energy: 1.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -2397.555993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.555993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.855370 (E_RNA)
where:
Base-Base interactions energy: -1630.713
where: short stacking energy: -719.263
Base-Backbone interact. energy: -2.214
local terms energy: -768.927968
where:
bonds (distance) C4'-P energy: -119.885
bonds (distance) P-C4' energy: -168.199
flat angles C4'-P-C4' energy: -172.685
flat angles P-C4'-P energy: -97.536
tors. eta vs tors. theta energy: -210.624
Dist. restrs. and SS energy: 4.299 (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: 2
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -2235.553822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.553822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.039342 (E_RNA)
where:
Base-Base interactions energy: -1465.786
where: short stacking energy: -632.383
Base-Backbone interact. energy: 4.084
local terms energy: -776.337232
where:
bonds (distance) C4'-P energy: -159.114
bonds (distance) P-C4' energy: -152.165
flat angles C4'-P-C4' energy: -159.585
flat angles P-C4'-P energy: -114.652
tors. eta vs tors. theta energy: -190.822
Dist. restrs. and SS energy: 2.486 (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: 226
Temperature: 1.200000
Total energy: -2124.725574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.725574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.380635 (E_RNA)
where:
Base-Base interactions energy: -1437.073
where: short stacking energy: -617.565
Base-Backbone interact. energy: 3.563
local terms energy: -693.870533
where:
bonds (distance) C4'-P energy: -131.441
bonds (distance) P-C4' energy: -128.254
flat angles C4'-P-C4' energy: -146.789
flat angles P-C4'-P energy: -118.702
tors. eta vs tors. theta energy: -168.683
Dist. restrs. and SS energy: 2.655 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -1986.506677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.506677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.147323 (E_RNA)
where:
Base-Base interactions energy: -1347.876
where: short stacking energy: -545.865
Base-Backbone interact. energy: 2.170
local terms energy: -644.441746
where:
bonds (distance) C4'-P energy: -130.719
bonds (distance) P-C4' energy: -147.207
flat angles C4'-P-C4' energy: -136.735
flat angles P-C4'-P energy: -96.387
tors. eta vs tors. theta energy: -133.393
Dist. restrs. and SS energy: 3.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -1936.972154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.972154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.270439 (E_RNA)
where:
Base-Base interactions energy: -1332.785
where: short stacking energy: -554.313
Base-Backbone interact. energy: -1.767
local terms energy: -605.718692
where:
bonds (distance) C4'-P energy: -110.927
bonds (distance) P-C4' energy: -131.417
flat angles C4'-P-C4' energy: -138.327
flat angles P-C4'-P energy: -93.441
tors. eta vs tors. theta energy: -131.606
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: 10, replica: 10
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -1877.167498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.167498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.264739 (E_RNA)
where:
Base-Base interactions energy: -1285.774
where: short stacking energy: -536.201
Base-Backbone interact. energy: 9.975
local terms energy: -604.465649
where:
bonds (distance) C4'-P energy: -124.216
bonds (distance) P-C4' energy: -113.692
flat angles C4'-P-C4' energy: -143.736
flat angles P-C4'-P energy: -91.342
tors. eta vs tors. theta energy: -131.480
Dist. restrs. and SS energy: 3.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -2938.580189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2938.580189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2940.430958 (E_RNA)
where:
Base-Base interactions energy: -2069.316
where: short stacking energy: -849.099
Base-Backbone interact. energy: 0.959
local terms energy: -872.074686
where:
bonds (distance) C4'-P energy: -163.959
bonds (distance) P-C4' energy: -155.205
flat angles C4'-P-C4' energy: -185.251
flat angles P-C4'-P energy: -129.668
tors. eta vs tors. theta energy: -237.993
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: 4
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -2794.824763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.824763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.390298 (E_RNA)
where:
Base-Base interactions energy: -1931.552
where: short stacking energy: -824.826
Base-Backbone interact. energy: -2.020
local terms energy: -863.818719
where:
bonds (distance) C4'-P energy: -159.479
bonds (distance) P-C4' energy: -158.539
flat angles C4'-P-C4' energy: -181.319
flat angles P-C4'-P energy: -123.253
tors. eta vs tors. theta energy: -241.229
Dist. restrs. and SS energy: 2.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -2593.209794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.209794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.556144 (E_RNA)
where:
Base-Base interactions energy: -1787.280
where: short stacking energy: -762.201
Base-Backbone interact. energy: -3.133
local terms energy: -805.143082
where:
bonds (distance) C4'-P energy: -164.263
bonds (distance) P-C4' energy: -136.192
flat angles C4'-P-C4' energy: -179.023
flat angles P-C4'-P energy: -113.001
tors. eta vs tors. theta energy: -212.664
Dist. restrs. and SS energy: 2.346 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -2518.684564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.684564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.941987 (E_RNA)
where:
Base-Base interactions energy: -1712.523
where: short stacking energy: -710.776
Base-Backbone interact. energy: -2.878
local terms energy: -805.541262
where:
bonds (distance) C4'-P energy: -146.055
bonds (distance) P-C4' energy: -150.256
flat angles C4'-P-C4' energy: -169.544
flat angles P-C4'-P energy: -126.452
tors. eta vs tors. theta energy: -213.234
Dist. restrs. and SS energy: 2.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -2410.506246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.506246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.843683 (E_RNA)
where:
Base-Base interactions energy: -1633.842
where: short stacking energy: -682.348
Base-Backbone interact. energy: -0.004
local terms energy: -779.997350
where:
bonds (distance) C4'-P energy: -148.748
bonds (distance) P-C4' energy: -145.083
flat angles C4'-P-C4' energy: -173.498
flat angles P-C4'-P energy: -104.347
tors. eta vs tors. theta energy: -208.321
Dist. restrs. and SS energy: 3.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -2206.588309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.588309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.551400 (E_RNA)
where:
Base-Base interactions energy: -1493.873
where: short stacking energy: -649.473
Base-Backbone interact. energy: -0.278
local terms energy: -714.400074
where:
bonds (distance) C4'-P energy: -148.313
bonds (distance) P-C4' energy: -140.181
flat angles C4'-P-C4' energy: -151.853
flat angles P-C4'-P energy: -101.544
tors. eta vs tors. theta energy: -172.510
Dist. restrs. and SS energy: 1.963 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -2080.817099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.817099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.631136 (E_RNA)
where:
Base-Base interactions energy: -1405.145
where: short stacking energy: -583.054
Base-Backbone interact. energy: -2.111
local terms energy: -675.374972
where:
bonds (distance) C4'-P energy: -137.091
bonds (distance) P-C4' energy: -151.663
flat angles C4'-P-C4' energy: -122.715
flat angles P-C4'-P energy: -109.445
tors. eta vs tors. theta energy: -154.461
Dist. restrs. and SS energy: 1.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -2016.409734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.409734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.531117 (E_RNA)
where:
Base-Base interactions energy: -1367.990
where: short stacking energy: -583.048
Base-Backbone interact. energy: -1.049
local terms energy: -649.492030
where:
bonds (distance) C4'-P energy: -143.713
bonds (distance) P-C4' energy: -101.636
flat angles C4'-P-C4' energy: -155.684
flat angles P-C4'-P energy: -93.702
tors. eta vs tors. theta energy: -154.758
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: 9, replica: 8
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -1978.879516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.879516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.088985 (E_RNA)
where:
Base-Base interactions energy: -1320.847
where: short stacking energy: -536.965
Base-Backbone interact. energy: -2.684
local terms energy: -657.557939
where:
bonds (distance) C4'-P energy: -125.219
bonds (distance) P-C4' energy: -136.378
flat angles C4'-P-C4' energy: -154.480
flat angles P-C4'-P energy: -103.097
tors. eta vs tors. theta energy: -138.384
Dist. restrs. and SS energy: 2.209 (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: 10
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -1907.683497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.683497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.738290 (E_RNA)
where:
Base-Base interactions energy: -1301.402
where: short stacking energy: -539.681
Base-Backbone interact. energy: -3.436
local terms energy: -606.900781
where:
bonds (distance) C4'-P energy: -125.390
bonds (distance) P-C4' energy: -115.710
flat angles C4'-P-C4' energy: -140.225
flat angles P-C4'-P energy: -87.995
tors. eta vs tors. theta energy: -137.581
Dist. restrs. and SS energy: 4.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -2908.230040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2908.230040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2910.420938 (E_RNA)
where:
Base-Base interactions energy: -2027.115
where: short stacking energy: -842.967
Base-Backbone interact. energy: -3.159
local terms energy: -880.147163
where:
bonds (distance) C4'-P energy: -162.498
bonds (distance) P-C4' energy: -162.754
flat angles C4'-P-C4' energy: -184.148
flat angles P-C4'-P energy: -131.163
tors. eta vs tors. theta energy: -239.584
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: 2, replica: 4
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -2797.333773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.333773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.561086 (E_RNA)
where:
Base-Base interactions energy: -1943.682
where: short stacking energy: -802.787
Base-Backbone interact. energy: -3.941
local terms energy: -850.938271
where:
bonds (distance) C4'-P energy: -148.956
bonds (distance) P-C4' energy: -159.891
flat angles C4'-P-C4' energy: -185.862
flat angles P-C4'-P energy: -128.456
tors. eta vs tors. theta energy: -227.772
Dist. restrs. and SS energy: 1.227 (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: 6
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -2579.306494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.306494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.898967 (E_RNA)
where:
Base-Base interactions energy: -1756.966
where: short stacking energy: -764.268
Base-Backbone interact. energy: 4.984
local terms energy: -830.916835
where:
bonds (distance) C4'-P energy: -132.901
bonds (distance) P-C4' energy: -154.542
flat angles C4'-P-C4' energy: -180.385
flat angles P-C4'-P energy: -111.761
tors. eta vs tors. theta energy: -251.328
Dist. restrs. and SS energy: 3.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -2509.176976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.176976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.991507 (E_RNA)
where:
Base-Base interactions energy: -1712.989
where: short stacking energy: -715.722
Base-Backbone interact. energy: -0.097
local terms energy: -798.905261
where:
bonds (distance) C4'-P energy: -141.024
bonds (distance) P-C4' energy: -152.466
flat angles C4'-P-C4' energy: -178.161
flat angles P-C4'-P energy: -106.487
tors. eta vs tors. theta energy: -220.767
Dist. restrs. and SS energy: 2.815 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -2413.379937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.379937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.413942 (E_RNA)
where:
Base-Base interactions energy: -1620.919
where: short stacking energy: -689.329
Base-Backbone interact. energy: -0.465
local terms energy: -794.030011
where:
bonds (distance) C4'-P energy: -154.183
bonds (distance) P-C4' energy: -156.448
flat angles C4'-P-C4' energy: -179.235
flat angles P-C4'-P energy: -104.493
tors. eta vs tors. theta energy: -199.671
Dist. restrs. and SS energy: 2.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -2192.270821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.270821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.673131 (E_RNA)
where:
Base-Base interactions energy: -1459.625
where: short stacking energy: -625.928
Base-Backbone interact. energy: -3.323
local terms energy: -730.725234
where:
bonds (distance) C4'-P energy: -131.489
bonds (distance) P-C4' energy: -144.308
flat angles C4'-P-C4' energy: -162.242
flat angles P-C4'-P energy: -114.616
tors. eta vs tors. theta energy: -178.071
Dist. restrs. and SS energy: 1.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -2132.615695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.615695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.371501 (E_RNA)
where:
Base-Base interactions energy: -1444.161
where: short stacking energy: -610.348
Base-Backbone interact. energy: 1.304
local terms energy: -692.514581
where:
bonds (distance) C4'-P energy: -136.702
bonds (distance) P-C4' energy: -151.857
flat angles C4'-P-C4' energy: -148.164
flat angles P-C4'-P energy: -82.835
tors. eta vs tors. theta energy: -172.957
Dist. restrs. and SS energy: 2.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -2045.767495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.767495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.902495 (E_RNA)
where:
Base-Base interactions energy: -1404.052
where: short stacking energy: -590.945
Base-Backbone interact. energy: 0.985
local terms energy: -644.834666
where:
bonds (distance) C4'-P energy: -124.334
bonds (distance) P-C4' energy: -132.655
flat angles C4'-P-C4' energy: -146.407
flat angles P-C4'-P energy: -95.182
tors. eta vs tors. theta energy: -146.257
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: 9, replica: 10
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -1911.643008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.643008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.870883 (E_RNA)
where:
Base-Base interactions energy: -1318.012
where: short stacking energy: -546.745
Base-Backbone interact. energy: 9.324
local terms energy: -605.182699
where:
bonds (distance) C4'-P energy: -119.397
bonds (distance) P-C4' energy: -143.814
flat angles C4'-P-C4' energy: -114.779
flat angles P-C4'-P energy: -98.868
tors. eta vs tors. theta energy: -128.324
Dist. restrs. and SS energy: 2.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -1862.407401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.407401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.863480 (E_RNA)
where:
Base-Base interactions energy: -1287.784
where: short stacking energy: -518.858
Base-Backbone interact. energy: -1.442
local terms energy: -577.637425
where:
bonds (distance) C4'-P energy: -120.252
bonds (distance) P-C4' energy: -151.346
flat angles C4'-P-C4' energy: -134.069
flat angles P-C4'-P energy: -62.142
tors. eta vs tors. theta energy: -109.828
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: 1, replica: 9
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -2887.428834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2887.428834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2890.177777 (E_RNA)
where:
Base-Base interactions energy: -2006.256
where: short stacking energy: -843.089
Base-Backbone interact. energy: -2.891
local terms energy: -881.030378
where:
bonds (distance) C4'-P energy: -166.498
bonds (distance) P-C4' energy: -149.745
flat angles C4'-P-C4' energy: -195.594
flat angles P-C4'-P energy: -113.451
tors. eta vs tors. theta energy: -255.742
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: 4
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -2791.701396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.701396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.801519 (E_RNA)
where:
Base-Base interactions energy: -1955.564
where: short stacking energy: -825.399
Base-Backbone interact. energy: -2.222
local terms energy: -837.014964
where:
bonds (distance) C4'-P energy: -147.790
bonds (distance) P-C4' energy: -166.748
flat angles C4'-P-C4' energy: -168.626
flat angles P-C4'-P energy: -121.868
tors. eta vs tors. theta energy: -231.983
Dist. restrs. and SS energy: 3.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -2607.020461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.020461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.809724 (E_RNA)
where:
Base-Base interactions energy: -1768.699
where: short stacking energy: -759.794
Base-Backbone interact. energy: -1.548
local terms energy: -839.562926
where:
bonds (distance) C4'-P energy: -163.750
bonds (distance) P-C4' energy: -155.258
flat angles C4'-P-C4' energy: -182.751
flat angles P-C4'-P energy: -101.045
tors. eta vs tors. theta energy: -236.759
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: 4, replica: 5
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -2510.989713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.989713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.266151 (E_RNA)
where:
Base-Base interactions energy: -1704.542
where: short stacking energy: -741.597
Base-Backbone interact. energy: -2.318
local terms energy: -805.406596
where:
bonds (distance) C4'-P energy: -151.024
bonds (distance) P-C4' energy: -146.571
flat angles C4'-P-C4' energy: -166.972
flat angles P-C4'-P energy: -116.979
tors. eta vs tors. theta energy: -223.861
Dist. restrs. and SS energy: 1.276 (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: 7
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -2417.783180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.783180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.485501 (E_RNA)
where:
Base-Base interactions energy: -1662.510
where: short stacking energy: -717.452
Base-Backbone interact. energy: -3.155
local terms energy: -753.819891
where:
bonds (distance) C4'-P energy: -148.208
bonds (distance) P-C4' energy: -125.520
flat angles C4'-P-C4' energy: -170.414
flat angles P-C4'-P energy: -107.589
tors. eta vs tors. theta energy: -202.089
Dist. restrs. and SS energy: 1.702 (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: 2
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -2153.629068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.629068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.346403 (E_RNA)
where:
Base-Base interactions energy: -1452.721
where: short stacking energy: -618.590
Base-Backbone interact. energy: -2.220
local terms energy: -700.404592
where:
bonds (distance) C4'-P energy: -144.607
bonds (distance) P-C4' energy: -145.131
flat angles C4'-P-C4' energy: -155.519
flat angles P-C4'-P energy: -95.280
tors. eta vs tors. theta energy: -159.868
Dist. restrs. and SS energy: 1.717 (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: 1
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -2108.777048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.777048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.054742 (E_RNA)
where:
Base-Base interactions energy: -1434.954
where: short stacking energy: -588.431
Base-Backbone interact. energy: 3.716
local terms energy: -680.816705
where:
bonds (distance) C4'-P energy: -130.270
bonds (distance) P-C4' energy: -145.777
flat angles C4'-P-C4' energy: -152.881
flat angles P-C4'-P energy: -106.075
tors. eta vs tors. theta energy: -145.813
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: 8, replica: 3
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -2072.679708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.679708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.432224 (E_RNA)
where:
Base-Base interactions energy: -1412.392
where: short stacking energy: -584.241
Base-Backbone interact. energy: 2.939
local terms energy: -665.979202
where:
bonds (distance) C4'-P energy: -141.860
bonds (distance) P-C4' energy: -130.798
flat angles C4'-P-C4' energy: -151.040
flat angles P-C4'-P energy: -90.425
tors. eta vs tors. theta energy: -151.857
Dist. restrs. and SS energy: 2.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -1917.744340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.744340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.338997 (E_RNA)
where:
Base-Base interactions energy: -1277.568
where: short stacking energy: -532.462
Base-Backbone interact. energy: -5.456
local terms energy: -637.314711
where:
bonds (distance) C4'-P energy: -133.386
bonds (distance) P-C4' energy: -136.596
flat angles C4'-P-C4' energy: -139.980
flat angles P-C4'-P energy: -94.374
tors. eta vs tors. theta energy: -132.979
Dist. restrs. and SS energy: 2.595 (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: 8
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -1802.516535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.516535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.642356 (E_RNA)
where:
Base-Base interactions energy: -1224.559
where: short stacking energy: -500.583
Base-Backbone interact. energy: 7.398
local terms energy: -589.481499
where:
bonds (distance) C4'-P energy: -130.074
bonds (distance) P-C4' energy: -126.973
flat angles C4'-P-C4' energy: -134.939
flat angles P-C4'-P energy: -81.843
tors. eta vs tors. theta energy: -115.652
Dist. restrs. and SS energy: 4.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -2881.310214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2881.310214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2884.618693 (E_RNA)
where:
Base-Base interactions energy: -2035.703
where: short stacking energy: -831.041
Base-Backbone interact. energy: -6.437
local terms energy: -842.478196
where:
bonds (distance) C4'-P energy: -148.847
bonds (distance) P-C4' energy: -159.338
flat angles C4'-P-C4' energy: -173.698
flat angles P-C4'-P energy: -118.028
tors. eta vs tors. theta energy: -242.567
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: 2, replica: 4
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -2808.738616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.738616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.635467 (E_RNA)
where:
Base-Base interactions energy: -1958.055
where: short stacking energy: -820.289
Base-Backbone interact. energy: -4.222
local terms energy: -849.358426
where:
bonds (distance) C4'-P energy: -149.397
bonds (distance) P-C4' energy: -152.214
flat angles C4'-P-C4' energy: -178.223
flat angles P-C4'-P energy: -124.006
tors. eta vs tors. theta energy: -245.519
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: 5
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -2593.877830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.877830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.877408 (E_RNA)
where:
Base-Base interactions energy: -1752.410
where: short stacking energy: -771.291
Base-Backbone interact. energy: -0.892
local terms energy: -841.575939
where:
bonds (distance) C4'-P energy: -151.225
bonds (distance) P-C4' energy: -166.960
flat angles C4'-P-C4' energy: -176.525
flat angles P-C4'-P energy: -118.791
tors. eta vs tors. theta energy: -228.076
Dist. restrs. and SS energy: 1.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -2490.990557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.990557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.796143 (E_RNA)
where:
Base-Base interactions energy: -1721.187
where: short stacking energy: -754.943
Base-Backbone interact. energy: 2.280
local terms energy: -774.888903
where:
bonds (distance) C4'-P energy: -137.927
bonds (distance) P-C4' energy: -152.058
flat angles C4'-P-C4' energy: -162.696
flat angles P-C4'-P energy: -101.353
tors. eta vs tors. theta energy: -220.856
Dist. restrs. and SS energy: 2.806 (S_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: 230
Temperature: 1.100000
Total energy: -2411.942569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.942569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.211543 (E_RNA)
where:
Base-Base interactions energy: -1650.412
where: short stacking energy: -718.756
Base-Backbone interact. energy: 0.350
local terms energy: -764.149432
where:
bonds (distance) C4'-P energy: -144.344
bonds (distance) P-C4' energy: -148.403
flat angles C4'-P-C4' energy: -166.975
flat angles P-C4'-P energy: -102.985
tors. eta vs tors. theta energy: -201.442
Dist. restrs. and SS energy: 2.269 (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: 2
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -2176.915168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.915168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.819636 (E_RNA)
where:
Base-Base interactions energy: -1471.529
where: short stacking energy: -645.281
Base-Backbone interact. energy: 2.830
local terms energy: -710.119745
where:
bonds (distance) C4'-P energy: -130.575
bonds (distance) P-C4' energy: -134.666
flat angles C4'-P-C4' energy: -170.986
flat angles P-C4'-P energy: -98.165
tors. eta vs tors. theta energy: -175.727
Dist. restrs. and SS energy: 1.904 (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: 230
Temperature: 1.200000
Total energy: -2112.813750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.813750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.031355 (E_RNA)
where:
Base-Base interactions energy: -1466.843
where: short stacking energy: -652.057
Base-Backbone interact. energy: -1.600
local terms energy: -646.588458
where:
bonds (distance) C4'-P energy: -99.096
bonds (distance) P-C4' energy: -134.296
flat angles C4'-P-C4' energy: -146.301
flat angles P-C4'-P energy: -85.751
tors. eta vs tors. theta energy: -181.144
Dist. restrs. and SS energy: 2.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -2017.178196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.178196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.982187 (E_RNA)
where:
Base-Base interactions energy: -1359.210
where: short stacking energy: -597.757
Base-Backbone interact. energy: -0.734
local terms energy: -660.038023
where:
bonds (distance) C4'-P energy: -128.332
bonds (distance) P-C4' energy: -131.139
flat angles C4'-P-C4' energy: -142.290
flat angles P-C4'-P energy: -79.610
tors. eta vs tors. theta energy: -178.667
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: 9, replica: 10
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -1919.227843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.227843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.949545 (E_RNA)
where:
Base-Base interactions energy: -1251.629
where: short stacking energy: -538.363
Base-Backbone interact. energy: -3.922
local terms energy: -667.398983
where:
bonds (distance) C4'-P energy: -147.682
bonds (distance) P-C4' energy: -129.824
flat angles C4'-P-C4' energy: -161.153
flat angles P-C4'-P energy: -93.834
tors. eta vs tors. theta energy: -134.906
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: 10, replica: 8
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -1884.699979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.699979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.025052 (E_RNA)
where:
Base-Base interactions energy: -1323.595
where: short stacking energy: -533.505
Base-Backbone interact. energy: 5.515
local terms energy: -568.945427
where:
bonds (distance) C4'-P energy: -112.373
bonds (distance) P-C4' energy: -117.411
flat angles C4'-P-C4' energy: -128.573
flat angles P-C4'-P energy: -81.441
tors. eta vs tors. theta energy: -129.147
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: 1, replica: 9
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -2931.800097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2931.800097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2933.712683 (E_RNA)
where:
Base-Base interactions energy: -2027.217
where: short stacking energy: -849.783
Base-Backbone interact. energy: -2.917
local terms energy: -903.578994
where:
bonds (distance) C4'-P energy: -172.440
bonds (distance) P-C4' energy: -168.381
flat angles C4'-P-C4' energy: -186.286
flat angles P-C4'-P energy: -132.875
tors. eta vs tors. theta energy: -243.597
Dist. restrs. and SS energy: 1.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -2806.823518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.823518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.455892 (E_RNA)
where:
Base-Base interactions energy: -1978.586
where: short stacking energy: -816.384
Base-Backbone interact. energy: -3.467
local terms energy: -827.403210
where:
bonds (distance) C4'-P energy: -147.137
bonds (distance) P-C4' energy: -142.691
flat angles C4'-P-C4' energy: -185.121
flat angles P-C4'-P energy: -122.447
tors. eta vs tors. theta energy: -230.008
Dist. restrs. and SS energy: 2.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -2588.015187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.015187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.132532 (E_RNA)
where:
Base-Base interactions energy: -1799.922
where: short stacking energy: -797.560
Base-Backbone interact. energy: 2.210
local terms energy: -791.420047
where:
bonds (distance) C4'-P energy: -145.684
bonds (distance) P-C4' energy: -136.190
flat angles C4'-P-C4' energy: -167.541
flat angles P-C4'-P energy: -113.280
tors. eta vs tors. theta energy: -228.725
Dist. restrs. and SS energy: 1.117 (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: 6
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -2525.773172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.773172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.290603 (E_RNA)
where:
Base-Base interactions energy: -1736.059
where: short stacking energy: -768.211
Base-Backbone interact. energy: -0.039
local terms energy: -792.192107
where:
bonds (distance) C4'-P energy: -150.628
bonds (distance) P-C4' energy: -136.372
flat angles C4'-P-C4' energy: -177.062
flat angles P-C4'-P energy: -108.305
tors. eta vs tors. theta energy: -219.825
Dist. restrs. and SS energy: 2.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -2356.244031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.244031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.162265 (E_RNA)
where:
Base-Base interactions energy: -1594.175
where: short stacking energy: -691.606
Base-Backbone interact. energy: -3.061
local terms energy: -760.926674
where:
bonds (distance) C4'-P energy: -139.771
bonds (distance) P-C4' energy: -140.301
flat angles C4'-P-C4' energy: -173.531
flat angles P-C4'-P energy: -98.870
tors. eta vs tors. theta energy: -208.454
Dist. restrs. and SS energy: 1.918 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -2164.570874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.570874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.432797 (E_RNA)
where:
Base-Base interactions energy: -1436.160
where: short stacking energy: -635.433
Base-Backbone interact. energy: 1.166
local terms energy: -731.438776
where:
bonds (distance) C4'-P energy: -142.468
bonds (distance) P-C4' energy: -154.489
flat angles C4'-P-C4' energy: -158.317
flat angles P-C4'-P energy: -89.487
tors. eta vs tors. theta energy: -186.677
Dist. restrs. and SS energy: 1.862 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -2080.612196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.612196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.410154 (E_RNA)
where:
Base-Base interactions energy: -1418.472
where: short stacking energy: -604.002
Base-Backbone interact. energy: 2.906
local terms energy: -667.843328
where:
bonds (distance) C4'-P energy: -128.869
bonds (distance) P-C4' energy: -133.245
flat angles C4'-P-C4' energy: -145.108
flat angles P-C4'-P energy: -93.325
tors. eta vs tors. theta energy: -167.296
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: 8, replica: 3
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -2006.665862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.665862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.543278 (E_RNA)
where:
Base-Base interactions energy: -1343.248
where: short stacking energy: -572.042
Base-Backbone interact. energy: -1.004
local terms energy: -664.290639
where:
bonds (distance) C4'-P energy: -106.832
bonds (distance) P-C4' energy: -132.604
flat angles C4'-P-C4' energy: -167.956
flat angles P-C4'-P energy: -97.206
tors. eta vs tors. theta energy: -159.692
Dist. restrs. and SS energy: 1.877 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -1884.715261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.715261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.861427 (E_RNA)
where:
Base-Base interactions energy: -1316.324
where: short stacking energy: -546.923
Base-Backbone interact. energy: 3.241
local terms energy: -574.778727
where:
bonds (distance) C4'-P energy: -116.449
bonds (distance) P-C4' energy: -95.176
flat angles C4'-P-C4' energy: -145.892
flat angles P-C4'-P energy: -83.078
tors. eta vs tors. theta energy: -134.183
Dist. restrs. and SS energy: 3.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -1870.592486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.592486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.763381 (E_RNA)
where:
Base-Base interactions energy: -1300.128
where: short stacking energy: -525.131
Base-Backbone interact. energy: 0.129
local terms energy: -573.764055
where:
bonds (distance) C4'-P energy: -118.806
bonds (distance) P-C4' energy: -120.622
flat angles C4'-P-C4' energy: -134.098
flat angles P-C4'-P energy: -78.717
tors. eta vs tors. theta energy: -121.521
Dist. restrs. and SS energy: 3.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -2886.518334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2886.518334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2888.668102 (E_RNA)
where:
Base-Base interactions energy: -2025.422
where: short stacking energy: -833.879
Base-Backbone interact. energy: 0.465
local terms energy: -863.710649
where:
bonds (distance) C4'-P energy: -160.007
bonds (distance) P-C4' energy: -160.152
flat angles C4'-P-C4' energy: -178.409
flat angles P-C4'-P energy: -121.063
tors. eta vs tors. theta energy: -244.080
Dist. restrs. and SS energy: 2.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -2781.327427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.327427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.272649 (E_RNA)
where:
Base-Base interactions energy: -1927.551
where: short stacking energy: -804.610
Base-Backbone interact. energy: -2.873
local terms energy: -853.848174
where:
bonds (distance) C4'-P energy: -167.847
bonds (distance) P-C4' energy: -156.738
flat angles C4'-P-C4' energy: -180.427
flat angles P-C4'-P energy: -120.707
tors. eta vs tors. theta energy: -228.130
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: 5
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -2668.197249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.197249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.448260 (E_RNA)
where:
Base-Base interactions energy: -1810.938
where: short stacking energy: -776.738
Base-Backbone interact. energy: 0.504
local terms energy: -859.014243
where:
bonds (distance) C4'-P energy: -152.630
bonds (distance) P-C4' energy: -163.664
flat angles C4'-P-C4' energy: -181.448
flat angles P-C4'-P energy: -122.627
tors. eta vs tors. theta energy: -238.644
Dist. restrs. and SS energy: 1.251 (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: 6
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -2541.004050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.004050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.828876 (E_RNA)
where:
Base-Base interactions energy: -1750.269
where: short stacking energy: -720.815
Base-Backbone interact. energy: 3.628
local terms energy: -797.188148
where:
bonds (distance) C4'-P energy: -134.646
bonds (distance) P-C4' energy: -147.253
flat angles C4'-P-C4' energy: -180.882
flat angles P-C4'-P energy: -119.046
tors. eta vs tors. theta energy: -215.361
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: 5, replica: 7
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -2389.764272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.764272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.099529 (E_RNA)
where:
Base-Base interactions energy: -1582.184
where: short stacking energy: -719.613
Base-Backbone interact. energy: 0.333
local terms energy: -810.248383
where:
bonds (distance) C4'-P energy: -147.705
bonds (distance) P-C4' energy: -172.603
flat angles C4'-P-C4' energy: -158.841
flat angles P-C4'-P energy: -122.009
tors. eta vs tors. theta energy: -209.091
Dist. restrs. and SS energy: 2.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -2229.824009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.824009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.713013 (E_RNA)
where:
Base-Base interactions energy: -1466.747
where: short stacking energy: -641.314
Base-Backbone interact. energy: -3.014
local terms energy: -761.951605
where:
bonds (distance) C4'-P energy: -152.044
bonds (distance) P-C4' energy: -163.770
flat angles C4'-P-C4' energy: -168.240
flat angles P-C4'-P energy: -96.699
tors. eta vs tors. theta energy: -181.199
Dist. restrs. and SS energy: 1.889 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -2096.344216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.344216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.193943 (E_RNA)
where:
Base-Base interactions energy: -1397.458
where: short stacking energy: -613.244
Base-Backbone interact. energy: -4.899
local terms energy: -696.836870
where:
bonds (distance) C4'-P energy: -138.237
bonds (distance) P-C4' energy: -138.163
flat angles C4'-P-C4' energy: -136.811
flat angles P-C4'-P energy: -111.019
tors. eta vs tors. theta energy: -172.607
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: 8, replica: 1
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -2044.768448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.768448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.416435 (E_RNA)
where:
Base-Base interactions energy: -1362.156
where: short stacking energy: -595.151
Base-Backbone interact. energy: 3.939
local terms energy: -690.199456
where:
bonds (distance) C4'-P energy: -132.365
bonds (distance) P-C4' energy: -136.621
flat angles C4'-P-C4' energy: -151.744
flat angles P-C4'-P energy: -108.915
tors. eta vs tors. theta energy: -160.554
Dist. restrs. and SS energy: 3.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -1945.297002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.297002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.727156 (E_RNA)
where:
Base-Base interactions energy: -1321.406
where: short stacking energy: -544.600
Base-Backbone interact. energy: 0.802
local terms energy: -627.123347
where:
bonds (distance) C4'-P energy: -124.202
bonds (distance) P-C4' energy: -150.077
flat angles C4'-P-C4' energy: -136.227
flat angles P-C4'-P energy: -78.548
tors. eta vs tors. theta energy: -138.069
Dist. restrs. and SS energy: 2.430 (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: 8
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -1853.602855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.602855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.241544 (E_RNA)
where:
Base-Base interactions energy: -1266.792
where: short stacking energy: -504.463
Base-Backbone interact. energy: -5.081
local terms energy: -586.368531
where:
bonds (distance) C4'-P energy: -124.746
bonds (distance) P-C4' energy: -120.094
flat angles C4'-P-C4' energy: -165.705
flat angles P-C4'-P energy: -80.090
tors. eta vs tors. theta energy: -95.733
Dist. restrs. and SS energy: 4.639 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -2896.690146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2896.690146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2899.746410 (E_RNA)
where:
Base-Base interactions energy: -2029.058
where: short stacking energy: -811.353
Base-Backbone interact. energy: -2.865
local terms energy: -867.823122
where:
bonds (distance) C4'-P energy: -155.589
bonds (distance) P-C4' energy: -158.630
flat angles C4'-P-C4' energy: -188.201
flat angles P-C4'-P energy: -132.370
tors. eta vs tors. theta energy: -233.033
Dist. restrs. and SS energy: 3.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -2822.712712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.712712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.367650 (E_RNA)
where:
Base-Base interactions energy: -1963.425
where: short stacking energy: -794.413
Base-Backbone interact. energy: -2.712
local terms energy: -859.230456
where:
bonds (distance) C4'-P energy: -148.019
bonds (distance) P-C4' energy: -158.892
flat angles C4'-P-C4' energy: -202.094
flat angles P-C4'-P energy: -117.378
tors. eta vs tors. theta energy: -232.846
Dist. restrs. and SS energy: 2.655 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -2634.556226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.556226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.836185 (E_RNA)
where:
Base-Base interactions energy: -1828.677
where: short stacking energy: -762.578
Base-Backbone interact. energy: -2.146
local terms energy: -805.013983
where:
bonds (distance) C4'-P energy: -134.765
bonds (distance) P-C4' energy: -144.431
flat angles C4'-P-C4' energy: -175.078
flat angles P-C4'-P energy: -125.036
tors. eta vs tors. theta energy: -225.704
Dist. restrs. and SS energy: 1.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -2511.669993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.669993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.848809 (E_RNA)
where:
Base-Base interactions energy: -1721.947
where: short stacking energy: -718.143
Base-Backbone interact. energy: 7.787
local terms energy: -800.689212
where:
bonds (distance) C4'-P energy: -153.705
bonds (distance) P-C4' energy: -157.738
flat angles C4'-P-C4' energy: -163.420
flat angles P-C4'-P energy: -106.437
tors. eta vs tors. theta energy: -219.389
Dist. restrs. and SS energy: 3.179 (S_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: 233
Temperature: 1.100000
Total energy: -2392.212872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.212872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.169130 (E_RNA)
where:
Base-Base interactions energy: -1603.187
where: short stacking energy: -705.928
Base-Backbone interact. energy: -1.681
local terms energy: -790.300426
where:
bonds (distance) C4'-P energy: -142.936
bonds (distance) P-C4' energy: -157.260
flat angles C4'-P-C4' energy: -175.599
flat angles P-C4'-P energy: -114.177
tors. eta vs tors. theta energy: -200.328
Dist. restrs. and SS energy: 2.956 (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: 2
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -2217.394911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.394911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.048082 (E_RNA)
where:
Base-Base interactions energy: -1506.135
where: short stacking energy: -639.953
Base-Backbone interact. energy: -1.970
local terms energy: -711.943043
where:
bonds (distance) C4'-P energy: -130.014
bonds (distance) P-C4' energy: -137.901
flat angles C4'-P-C4' energy: -156.854
flat angles P-C4'-P energy: -94.692
tors. eta vs tors. theta energy: -192.482
Dist. restrs. and SS energy: 2.653 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -2106.889676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.889676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.750674 (E_RNA)
where:
Base-Base interactions energy: -1415.054
where: short stacking energy: -628.751
Base-Backbone interact. energy: -2.685
local terms energy: -692.012100
where:
bonds (distance) C4'-P energy: -130.588
bonds (distance) P-C4' energy: -148.562
flat angles C4'-P-C4' energy: -147.313
flat angles P-C4'-P energy: -97.520
tors. eta vs tors. theta energy: -168.030
Dist. restrs. and SS energy: 2.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -2004.026539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.026539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.446403 (E_RNA)
where:
Base-Base interactions energy: -1345.026
where: short stacking energy: -589.811
Base-Backbone interact. energy: -3.059
local terms energy: -658.361768
where:
bonds (distance) C4'-P energy: -148.453
bonds (distance) P-C4' energy: -136.705
flat angles C4'-P-C4' energy: -133.057
flat angles P-C4'-P energy: -78.715
tors. eta vs tors. theta energy: -161.432
Dist. restrs. and SS energy: 2.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -2001.996864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.996864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.860839 (E_RNA)
where:
Base-Base interactions energy: -1357.535
where: short stacking energy: -587.152
Base-Backbone interact. energy: 9.550
local terms energy: -656.876239
where:
bonds (distance) C4'-P energy: -140.091
bonds (distance) P-C4' energy: -133.029
flat angles C4'-P-C4' energy: -133.570
flat angles P-C4'-P energy: -80.601
tors. eta vs tors. theta energy: -169.585
Dist. restrs. and SS energy: 2.864 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -1807.728582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.728582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.661735 (E_RNA)
where:
Base-Base interactions energy: -1229.376
where: short stacking energy: -512.996
Base-Backbone interact. energy: 5.856
local terms energy: -588.141947
where:
bonds (distance) C4'-P energy: -123.931
bonds (distance) P-C4' energy: -125.238
flat angles C4'-P-C4' energy: -130.002
flat angles P-C4'-P energy: -80.973
tors. eta vs tors. theta energy: -127.998
Dist. restrs. and SS energy: 3.933 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -2897.210749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2897.210749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2900.064278 (E_RNA)
where:
Base-Base interactions energy: -2012.889
where: short stacking energy: -847.916
Base-Backbone interact. energy: -1.161
local terms energy: -886.014289
where:
bonds (distance) C4'-P energy: -156.197
bonds (distance) P-C4' energy: -157.321
flat angles C4'-P-C4' energy: -187.917
flat angles P-C4'-P energy: -134.402
tors. eta vs tors. theta energy: -250.176
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: 4
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -2784.922692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.922692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2785.829178 (E_RNA)
where:
Base-Base interactions energy: -1951.085
where: short stacking energy: -791.180
Base-Backbone interact. energy: -1.513
local terms energy: -833.231058
where:
bonds (distance) C4'-P energy: -154.832
bonds (distance) P-C4' energy: -164.576
flat angles C4'-P-C4' energy: -181.390
flat angles P-C4'-P energy: -123.724
tors. eta vs tors. theta energy: -208.710
Dist. restrs. and SS energy: 0.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -2630.907843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.907843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.761365 (E_RNA)
where:
Base-Base interactions energy: -1798.513
where: short stacking energy: -770.011
Base-Backbone interact. energy: 1.843
local terms energy: -837.091295
where:
bonds (distance) C4'-P energy: -147.825
bonds (distance) P-C4' energy: -159.418
flat angles C4'-P-C4' energy: -169.494
flat angles P-C4'-P energy: -125.378
tors. eta vs tors. theta energy: -234.977
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: 4, replica: 6
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -2514.113809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.113809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.358172 (E_RNA)
where:
Base-Base interactions energy: -1741.616
where: short stacking energy: -743.940
Base-Backbone interact. energy: -0.133
local terms energy: -774.608216
where:
bonds (distance) C4'-P energy: -140.954
bonds (distance) P-C4' energy: -137.875
flat angles C4'-P-C4' energy: -173.961
flat angles P-C4'-P energy: -110.588
tors. eta vs tors. theta energy: -211.230
Dist. restrs. and SS energy: 2.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -2390.781329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.781329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.852647 (E_RNA)
where:
Base-Base interactions energy: -1634.726
where: short stacking energy: -697.793
Base-Backbone interact. energy: -0.926
local terms energy: -757.201226
where:
bonds (distance) C4'-P energy: -139.041
bonds (distance) P-C4' energy: -145.492
flat angles C4'-P-C4' energy: -161.763
flat angles P-C4'-P energy: -104.257
tors. eta vs tors. theta energy: -206.648
Dist. restrs. and SS energy: 2.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -2222.954354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.954354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.499053 (E_RNA)
where:
Base-Base interactions energy: -1509.904
where: short stacking energy: -675.819
Base-Backbone interact. energy: -3.080
local terms energy: -711.514912
where:
bonds (distance) C4'-P energy: -127.967
bonds (distance) P-C4' energy: -147.930
flat angles C4'-P-C4' energy: -134.662
flat angles P-C4'-P energy: -111.929
tors. eta vs tors. theta energy: -189.027
Dist. restrs. and SS energy: 1.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -2070.356056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.356056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.397241 (E_RNA)
where:
Base-Base interactions energy: -1393.956
where: short stacking energy: -612.374
Base-Backbone interact. energy: 1.778
local terms energy: -681.218642
where:
bonds (distance) C4'-P energy: -131.205
bonds (distance) P-C4' energy: -131.464
flat angles C4'-P-C4' energy: -160.873
flat angles P-C4'-P energy: -87.344
tors. eta vs tors. theta energy: -170.334
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: 8, replica: 10
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -2042.061064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.061064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.659434 (E_RNA)
where:
Base-Base interactions energy: -1363.297
where: short stacking energy: -578.120
Base-Backbone interact. energy: -1.444
local terms energy: -679.919115
where:
bonds (distance) C4'-P energy: -117.322
bonds (distance) P-C4' energy: -134.778
flat angles C4'-P-C4' energy: -171.600
flat angles P-C4'-P energy: -93.452
tors. eta vs tors. theta energy: -162.767
Dist. restrs. and SS energy: 2.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -1926.943723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.943723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.492343 (E_RNA)
where:
Base-Base interactions energy: -1295.686
where: short stacking energy: -520.859
Base-Backbone interact. energy: -2.580
local terms energy: -632.226632
where:
bonds (distance) C4'-P energy: -129.096
bonds (distance) P-C4' energy: -128.135
flat angles C4'-P-C4' energy: -143.221
flat angles P-C4'-P energy: -89.727
tors. eta vs tors. theta energy: -142.047
Dist. restrs. and SS energy: 3.549 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -1857.249364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.249364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.739931 (E_RNA)
where:
Base-Base interactions energy: -1236.017
where: short stacking energy: -506.358
Base-Backbone interact. energy: -1.228
local terms energy: -623.494856
where:
bonds (distance) C4'-P energy: -132.760
bonds (distance) P-C4' energy: -127.363
flat angles C4'-P-C4' energy: -141.273
flat angles P-C4'-P energy: -79.761
tors. eta vs tors. theta energy: -142.339
Dist. restrs. and SS energy: 3.491 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -2908.034756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2908.034756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2911.124633 (E_RNA)
where:
Base-Base interactions energy: -2033.624
where: short stacking energy: -839.582
Base-Backbone interact. energy: -1.822
local terms energy: -875.679229
where:
bonds (distance) C4'-P energy: -160.702
bonds (distance) P-C4' energy: -169.632
flat angles C4'-P-C4' energy: -184.253
flat angles P-C4'-P energy: -118.528
tors. eta vs tors. theta energy: -242.564
Dist. restrs. and SS energy: 3.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -2769.905647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.905647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2772.074883 (E_RNA)
where:
Base-Base interactions energy: -1888.958
where: short stacking energy: -788.372
Base-Backbone interact. energy: 1.947
local terms energy: -885.063004
where:
bonds (distance) C4'-P energy: -168.219
bonds (distance) P-C4' energy: -169.798
flat angles C4'-P-C4' energy: -196.071
flat angles P-C4'-P energy: -124.944
tors. eta vs tors. theta energy: -226.030
Dist. restrs. and SS energy: 2.169 (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: 5
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -2601.486463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.486463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.232611 (E_RNA)
where:
Base-Base interactions energy: -1772.508
where: short stacking energy: -749.752
Base-Backbone interact. energy: 0.179
local terms energy: -830.903858
where:
bonds (distance) C4'-P energy: -144.036
bonds (distance) P-C4' energy: -163.444
flat angles C4'-P-C4' energy: -181.515
flat angles P-C4'-P energy: -124.150
tors. eta vs tors. theta energy: -217.759
Dist. restrs. and SS energy: 1.746 (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: 6
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -2523.809415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.809415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.929821 (E_RNA)
where:
Base-Base interactions energy: -1738.462
where: short stacking energy: -771.311
Base-Backbone interact. energy: -2.089
local terms energy: -785.378558
where:
bonds (distance) C4'-P energy: -133.947
bonds (distance) P-C4' energy: -141.935
flat angles C4'-P-C4' energy: -172.318
flat angles P-C4'-P energy: -121.896
tors. eta vs tors. theta energy: -215.282
Dist. restrs. and SS energy: 2.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -2340.265463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.265463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.276803 (E_RNA)
where:
Base-Base interactions energy: -1593.773
where: short stacking energy: -660.565
Base-Backbone interact. energy: -0.627
local terms energy: -746.876981
where:
bonds (distance) C4'-P energy: -145.272
bonds (distance) P-C4' energy: -135.765
flat angles C4'-P-C4' energy: -168.989
flat angles P-C4'-P energy: -112.401
tors. eta vs tors. theta energy: -184.451
Dist. restrs. and SS energy: 1.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -2218.337750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.337750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.244116 (E_RNA)
where:
Base-Base interactions energy: -1488.329
where: short stacking energy: -633.089
Base-Backbone interact. energy: 7.005
local terms energy: -739.920417
where:
bonds (distance) C4'-P energy: -155.474
bonds (distance) P-C4' energy: -142.500
flat angles C4'-P-C4' energy: -167.651
flat angles P-C4'-P energy: -93.197
tors. eta vs tors. theta energy: -181.098
Dist. restrs. and SS energy: 2.906 (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: 3
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -2052.918121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.918121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.759095 (E_RNA)
where:
Base-Base interactions energy: -1382.217
where: short stacking energy: -597.007
Base-Backbone interact. energy: -0.662
local terms energy: -671.879348
where:
bonds (distance) C4'-P energy: -140.792
bonds (distance) P-C4' energy: -118.675
flat angles C4'-P-C4' energy: -163.729
flat angles P-C4'-P energy: -102.892
tors. eta vs tors. theta energy: -145.791
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: 8, replica: 10
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -2029.622168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.622168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.057225 (E_RNA)
where:
Base-Base interactions energy: -1362.654
where: short stacking energy: -592.968
Base-Backbone interact. energy: -1.287
local terms energy: -668.116750
where:
bonds (distance) C4'-P energy: -137.114
bonds (distance) P-C4' energy: -141.019
flat angles C4'-P-C4' energy: -154.905
flat angles P-C4'-P energy: -69.279
tors. eta vs tors. theta energy: -165.800
Dist. restrs. and SS energy: 2.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -1897.392750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.392750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.554837 (E_RNA)
where:
Base-Base interactions energy: -1294.445
where: short stacking energy: -540.697
Base-Backbone interact. energy: 2.166
local terms energy: -608.276172
where:
bonds (distance) C4'-P energy: -129.875
bonds (distance) P-C4' energy: -134.709
flat angles C4'-P-C4' energy: -132.796
flat angles P-C4'-P energy: -65.424
tors. eta vs tors. theta energy: -145.473
Dist. restrs. and SS energy: 3.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -1854.518743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.518743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.246399 (E_RNA)
where:
Base-Base interactions energy: -1279.807
where: short stacking energy: -525.235
Base-Backbone interact. energy: 7.668
local terms energy: -585.108099
where:
bonds (distance) C4'-P energy: -115.132
bonds (distance) P-C4' energy: -135.132
flat angles C4'-P-C4' energy: -139.752
flat angles P-C4'-P energy: -79.670
tors. eta vs tors. theta energy: -115.422
Dist. restrs. and SS energy: 2.728 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -2934.650019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2934.650019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2936.956529 (E_RNA)
where:
Base-Base interactions energy: -2051.016
where: short stacking energy: -874.378
Base-Backbone interact. energy: -2.696
local terms energy: -883.244449
where:
bonds (distance) C4'-P energy: -155.960
bonds (distance) P-C4' energy: -172.318
flat angles C4'-P-C4' energy: -181.569
flat angles P-C4'-P energy: -121.231
tors. eta vs tors. theta energy: -252.166
Dist. restrs. and SS energy: 2.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -2773.698458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2773.698458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.840300 (E_RNA)
where:
Base-Base interactions energy: -1915.247
where: short stacking energy: -767.942
Base-Backbone interact. energy: 2.000
local terms energy: -861.593104
where:
bonds (distance) C4'-P energy: -161.512
bonds (distance) P-C4' energy: -160.093
flat angles C4'-P-C4' energy: -188.088
flat angles P-C4'-P energy: -120.554
tors. eta vs tors. theta energy: -231.346
Dist. restrs. and SS energy: 1.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -2612.779756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.779756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.589963 (E_RNA)
where:
Base-Base interactions energy: -1794.015
where: short stacking energy: -777.082
Base-Backbone interact. energy: -2.880
local terms energy: -817.695748
where:
bonds (distance) C4'-P energy: -155.661
bonds (distance) P-C4' energy: -161.339
flat angles C4'-P-C4' energy: -174.381
flat angles P-C4'-P energy: -110.778
tors. eta vs tors. theta energy: -215.537
Dist. restrs. and SS energy: 1.810 (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: 6
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -2508.936012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.936012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.167388 (E_RNA)
where:
Base-Base interactions energy: -1730.271
where: short stacking energy: -737.443
Base-Backbone interact. energy: -3.610
local terms energy: -777.285813
where:
bonds (distance) C4'-P energy: -150.439
bonds (distance) P-C4' energy: -141.812
flat angles C4'-P-C4' energy: -172.124
flat angles P-C4'-P energy: -93.607
tors. eta vs tors. theta energy: -219.304
Dist. restrs. and SS energy: 2.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -2347.324031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.324031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.288724 (E_RNA)
where:
Base-Base interactions energy: -1593.108
where: short stacking energy: -683.050
Base-Backbone interact. energy: -4.306
local terms energy: -752.874492
where:
bonds (distance) C4'-P energy: -156.664
bonds (distance) P-C4' energy: -137.026
flat angles C4'-P-C4' energy: -157.265
flat angles P-C4'-P energy: -104.777
tors. eta vs tors. theta energy: -197.143
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: 6, replica: 2
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -2180.972570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.972570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.875537 (E_RNA)
where:
Base-Base interactions energy: -1467.434
where: short stacking energy: -642.632
Base-Backbone interact. energy: 0.016
local terms energy: -716.457146
where:
bonds (distance) C4'-P energy: -129.574
bonds (distance) P-C4' energy: -138.092
flat angles C4'-P-C4' energy: -166.133
flat angles P-C4'-P energy: -102.583
tors. eta vs tors. theta energy: -180.075
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: 7, replica: 3
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -2071.402272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.402272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.456235 (E_RNA)
where:
Base-Base interactions energy: -1374.039
where: short stacking energy: -605.385
Base-Backbone interact. energy: -1.258
local terms energy: -703.159653
where:
bonds (distance) C4'-P energy: -145.416
bonds (distance) P-C4' energy: -139.169
flat angles C4'-P-C4' energy: -148.133
flat angles P-C4'-P energy: -101.123
tors. eta vs tors. theta energy: -169.318
Dist. restrs. and SS energy: 7.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -2074.324144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.324144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.273756 (E_RNA)
where:
Base-Base interactions energy: -1395.325
where: short stacking energy: -618.000
Base-Backbone interact. energy: -1.624
local terms energy: -679.325461
where:
bonds (distance) C4'-P energy: -152.927
bonds (distance) P-C4' energy: -122.887
flat angles C4'-P-C4' energy: -144.915
flat angles P-C4'-P energy: -102.103
tors. eta vs tors. theta energy: -156.493
Dist. restrs. and SS energy: 1.950 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -1946.799717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.799717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.307881 (E_RNA)
where:
Base-Base interactions energy: -1330.943
where: short stacking energy: -553.094
Base-Backbone interact. energy: -0.961
local terms energy: -618.402985
where:
bonds (distance) C4'-P energy: -118.671
bonds (distance) P-C4' energy: -121.115
flat angles C4'-P-C4' energy: -146.893
flat angles P-C4'-P energy: -87.993
tors. eta vs tors. theta energy: -143.730
Dist. restrs. and SS energy: 3.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -1870.526879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.526879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.571138 (E_RNA)
where:
Base-Base interactions energy: -1252.554
where: short stacking energy: -519.783
Base-Backbone interact. energy: -0.905
local terms energy: -620.111924
where:
bonds (distance) C4'-P energy: -135.607
bonds (distance) P-C4' energy: -126.288
flat angles C4'-P-C4' energy: -142.032
flat angles P-C4'-P energy: -79.540
tors. eta vs tors. theta energy: -136.645
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: 1, replica: 9
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -2902.933570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2902.933570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2905.495929 (E_RNA)
where:
Base-Base interactions energy: -2055.044
where: short stacking energy: -855.959
Base-Backbone interact. energy: -4.237
local terms energy: -846.214942
where:
bonds (distance) C4'-P energy: -146.766
bonds (distance) P-C4' energy: -156.963
flat angles C4'-P-C4' energy: -175.072
flat angles P-C4'-P energy: -113.331
tors. eta vs tors. theta energy: -254.082
Dist. restrs. and SS energy: 2.562 (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: 4
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -2781.883000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.883000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2783.360773 (E_RNA)
where:
Base-Base interactions energy: -1935.195
where: short stacking energy: -797.630
Base-Backbone interact. energy: 0.957
local terms energy: -849.122913
where:
bonds (distance) C4'-P energy: -158.183
bonds (distance) P-C4' energy: -176.297
flat angles C4'-P-C4' energy: -167.596
flat angles P-C4'-P energy: -126.089
tors. eta vs tors. theta energy: -220.957
Dist. restrs. and SS energy: 1.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -2623.610606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.610606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.941564 (E_RNA)
where:
Base-Base interactions energy: -1782.268
where: short stacking energy: -757.962
Base-Backbone interact. energy: -1.852
local terms energy: -840.821578
where:
bonds (distance) C4'-P energy: -153.191
bonds (distance) P-C4' energy: -157.790
flat angles C4'-P-C4' energy: -173.534
flat angles P-C4'-P energy: -131.643
tors. eta vs tors. theta energy: -224.664
Dist. restrs. and SS energy: 1.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -2546.944337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.944337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.115896 (E_RNA)
where:
Base-Base interactions energy: -1738.823
where: short stacking energy: -769.108
Base-Backbone interact. energy: 1.734
local terms energy: -811.026670
where:
bonds (distance) C4'-P energy: -150.252
bonds (distance) P-C4' energy: -141.720
flat angles C4'-P-C4' energy: -175.116
flat angles P-C4'-P energy: -117.427
tors. eta vs tors. theta energy: -226.511
Dist. restrs. and SS energy: 1.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -2383.187901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.187901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.188472 (E_RNA)
where:
Base-Base interactions energy: -1630.261
where: short stacking energy: -712.687
Base-Backbone interact. energy: 1.370
local terms energy: -757.297046
where:
bonds (distance) C4'-P energy: -149.990
bonds (distance) P-C4' energy: -140.210
flat angles C4'-P-C4' energy: -166.548
flat angles P-C4'-P energy: -95.978
tors. eta vs tors. theta energy: -204.572
Dist. restrs. and SS energy: 3.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -2149.484637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.484637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.596854 (E_RNA)
where:
Base-Base interactions energy: -1469.644
where: short stacking energy: -622.981
Base-Backbone interact. energy: 0.564
local terms energy: -683.517009
where:
bonds (distance) C4'-P energy: -124.565
bonds (distance) P-C4' energy: -140.051
flat angles C4'-P-C4' energy: -157.139
flat angles P-C4'-P energy: -106.155
tors. eta vs tors. theta energy: -155.607
Dist. restrs. and SS energy: 3.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -2123.952808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.952808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.342203 (E_RNA)
where:
Base-Base interactions energy: -1434.623
where: short stacking energy: -615.383
Base-Backbone interact. energy: -1.899
local terms energy: -689.820410
where:
bonds (distance) C4'-P energy: -135.202
bonds (distance) P-C4' energy: -138.823
flat angles C4'-P-C4' energy: -160.993
flat angles P-C4'-P energy: -80.567
tors. eta vs tors. theta energy: -174.235
Dist. restrs. and SS energy: 2.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -2000.425349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.425349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.321911 (E_RNA)
where:
Base-Base interactions energy: -1355.932
where: short stacking energy: -566.993
Base-Backbone interact. energy: -0.278
local terms energy: -646.111285
where:
bonds (distance) C4'-P energy: -128.795
bonds (distance) P-C4' energy: -139.810
flat angles C4'-P-C4' energy: -152.980
flat angles P-C4'-P energy: -92.961
tors. eta vs tors. theta energy: -131.565
Dist. restrs. and SS energy: 1.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -1877.612201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.612201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.268263 (E_RNA)
where:
Base-Base interactions energy: -1280.566
where: short stacking energy: -532.162
Base-Backbone interact. energy: -2.650
local terms energy: -598.051964
where:
bonds (distance) C4'-P energy: -99.163
bonds (distance) P-C4' energy: -136.202
flat angles C4'-P-C4' energy: -122.492
flat angles P-C4'-P energy: -96.845
tors. eta vs tors. theta energy: -143.351
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: 10, replica: 8
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -1886.700948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.700948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.026924 (E_RNA)
where:
Base-Base interactions energy: -1313.075
where: short stacking energy: -544.030
Base-Backbone interact. energy: -2.934
local terms energy: -575.018062
where:
bonds (distance) C4'-P energy: -100.658
bonds (distance) P-C4' energy: -114.414
flat angles C4'-P-C4' energy: -137.901
flat angles P-C4'-P energy: -94.084
tors. eta vs tors. theta energy: -127.961
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: 1, replica: 9
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -2904.064051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2904.064051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2905.489037 (E_RNA)
where:
Base-Base interactions energy: -2036.413
where: short stacking energy: -843.854
Base-Backbone interact. energy: 0.686
local terms energy: -869.762326
where:
bonds (distance) C4'-P energy: -163.263
bonds (distance) P-C4' energy: -162.453
flat angles C4'-P-C4' energy: -185.140
flat angles P-C4'-P energy: -105.563
tors. eta vs tors. theta energy: -253.344
Dist. restrs. and SS energy: 1.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -2765.002746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2765.002746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.398873 (E_RNA)
where:
Base-Base interactions energy: -1939.221
where: short stacking energy: -805.053
Base-Backbone interact. energy: -1.456
local terms energy: -825.722164
where:
bonds (distance) C4'-P energy: -142.740
bonds (distance) P-C4' energy: -152.252
flat angles C4'-P-C4' energy: -192.871
flat angles P-C4'-P energy: -113.184
tors. eta vs tors. theta energy: -224.675
Dist. restrs. and SS energy: 1.396 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -2622.786058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.786058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.604257 (E_RNA)
where:
Base-Base interactions energy: -1771.368
where: short stacking energy: -750.694
Base-Backbone interact. energy: -3.102
local terms energy: -850.133638
where:
bonds (distance) C4'-P energy: -158.422
bonds (distance) P-C4' energy: -152.806
flat angles C4'-P-C4' energy: -184.391
flat angles P-C4'-P energy: -131.776
tors. eta vs tors. theta energy: -222.738
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: 4, replica: 6
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -2534.694713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.694713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.325237 (E_RNA)
where:
Base-Base interactions energy: -1714.910
where: short stacking energy: -751.084
Base-Backbone interact. energy: -0.521
local terms energy: -820.894577
where:
bonds (distance) C4'-P energy: -141.577
bonds (distance) P-C4' energy: -152.464
flat angles C4'-P-C4' energy: -189.110
flat angles P-C4'-P energy: -115.671
tors. eta vs tors. theta energy: -222.074
Dist. restrs. and SS energy: 1.631 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -2381.938424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.938424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.977006 (E_RNA)
where:
Base-Base interactions energy: -1620.387
where: short stacking energy: -695.880
Base-Backbone interact. energy: -4.106
local terms energy: -760.484102
where:
bonds (distance) C4'-P energy: -141.261
bonds (distance) P-C4' energy: -123.896
flat angles C4'-P-C4' energy: -182.817
flat angles P-C4'-P energy: -103.982
tors. eta vs tors. theta energy: -208.529
Dist. restrs. and SS energy: 3.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -2149.422022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.422022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.987312 (E_RNA)
where:
Base-Base interactions energy: -1433.530
where: short stacking energy: -622.237
Base-Backbone interact. energy: 2.087
local terms energy: -719.543922
where:
bonds (distance) C4'-P energy: -145.740
bonds (distance) P-C4' energy: -154.831
flat angles C4'-P-C4' energy: -153.166
flat angles P-C4'-P energy: -105.028
tors. eta vs tors. theta energy: -160.778
Dist. restrs. and SS energy: 1.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -2127.699349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.699349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.530634 (E_RNA)
where:
Base-Base interactions energy: -1400.214
where: short stacking energy: -618.549
Base-Backbone interact. energy: 6.065
local terms energy: -735.381891
where:
bonds (distance) C4'-P energy: -140.783
bonds (distance) P-C4' energy: -141.712
flat angles C4'-P-C4' energy: -166.415
flat angles P-C4'-P energy: -111.339
tors. eta vs tors. theta energy: -175.132
Dist. restrs. and SS energy: 1.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -1997.474752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.474752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.140976 (E_RNA)
where:
Base-Base interactions energy: -1370.034
where: short stacking energy: -595.128
Base-Backbone interact. energy: -3.312
local terms energy: -628.795209
where:
bonds (distance) C4'-P energy: -110.496
bonds (distance) P-C4' energy: -142.783
flat angles C4'-P-C4' energy: -137.138
flat angles P-C4'-P energy: -87.390
tors. eta vs tors. theta energy: -150.989
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: 9, replica: 1
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -1926.148845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.148845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.798829 (E_RNA)
where:
Base-Base interactions energy: -1318.365
where: short stacking energy: -556.010
Base-Backbone interact. energy: 0.407
local terms energy: -612.841070
where:
bonds (distance) C4'-P energy: -120.387
bonds (distance) P-C4' energy: -123.485
flat angles C4'-P-C4' energy: -129.000
flat angles P-C4'-P energy: -98.947
tors. eta vs tors. theta energy: -141.022
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: 10, replica: 8
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -1813.848605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.848605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.881692 (E_RNA)
where:
Base-Base interactions energy: -1264.685
where: short stacking energy: -536.868
Base-Backbone interact. energy: 1.037
local terms energy: -554.233353
where:
bonds (distance) C4'-P energy: -100.587
bonds (distance) P-C4' energy: -127.025
flat angles C4'-P-C4' energy: -117.599
flat angles P-C4'-P energy: -85.362
tors. eta vs tors. theta energy: -123.661
Dist. restrs. and SS energy: 4.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -2925.758023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2925.758023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2927.817477 (E_RNA)
where:
Base-Base interactions energy: -2042.708
where: short stacking energy: -845.058
Base-Backbone interact. energy: -3.609
local terms energy: -881.500647
where:
bonds (distance) C4'-P energy: -153.390
bonds (distance) P-C4' energy: -164.235
flat angles C4'-P-C4' energy: -182.912
flat angles P-C4'-P energy: -132.898
tors. eta vs tors. theta energy: -248.066
Dist. restrs. and SS energy: 2.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -2804.843145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2804.843145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.911797 (E_RNA)
where:
Base-Base interactions energy: -1980.838
where: short stacking energy: -798.252
Base-Backbone interact. energy: -3.980
local terms energy: -822.094351
where:
bonds (distance) C4'-P energy: -158.429
bonds (distance) P-C4' energy: -152.105
flat angles C4'-P-C4' energy: -177.380
flat angles P-C4'-P energy: -108.899
tors. eta vs tors. theta energy: -225.282
Dist. restrs. and SS energy: 2.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -2592.162519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.162519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.319396 (E_RNA)
where:
Base-Base interactions energy: -1779.517
where: short stacking energy: -786.941
Base-Backbone interact. energy: -2.348
local terms energy: -811.455225
where:
bonds (distance) C4'-P energy: -140.351
bonds (distance) P-C4' energy: -149.951
flat angles C4'-P-C4' energy: -184.571
flat angles P-C4'-P energy: -116.852
tors. eta vs tors. theta energy: -219.730
Dist. restrs. and SS energy: 1.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -2499.610850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.610850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.755026 (E_RNA)
where:
Base-Base interactions energy: -1703.799
where: short stacking energy: -704.839
Base-Backbone interact. energy: -1.203
local terms energy: -796.753292
where:
bonds (distance) C4'-P energy: -157.046
bonds (distance) P-C4' energy: -153.582
flat angles C4'-P-C4' energy: -178.749
flat angles P-C4'-P energy: -102.850
tors. eta vs tors. theta energy: -204.526
Dist. restrs. and SS energy: 2.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -2424.875217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.875217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.933156 (E_RNA)
where:
Base-Base interactions energy: -1667.173
where: short stacking energy: -713.318
Base-Backbone interact. energy: -1.458
local terms energy: -759.301605
where:
bonds (distance) C4'-P energy: -146.350
bonds (distance) P-C4' energy: -146.783
flat angles C4'-P-C4' energy: -163.577
flat angles P-C4'-P energy: -89.266
tors. eta vs tors. theta energy: -213.326
Dist. restrs. and SS energy: 3.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -2170.705264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.705264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.399757 (E_RNA)
where:
Base-Base interactions energy: -1473.618
where: short stacking energy: -641.180
Base-Backbone interact. energy: 1.416
local terms energy: -701.197863
where:
bonds (distance) C4'-P energy: -140.713
bonds (distance) P-C4' energy: -141.054
flat angles C4'-P-C4' energy: -154.123
flat angles P-C4'-P energy: -95.448
tors. eta vs tors. theta energy: -169.859
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: 7, replica: 2
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -2138.576699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.576699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.791009 (E_RNA)
where:
Base-Base interactions energy: -1459.051
where: short stacking energy: -616.209
Base-Backbone interact. energy: -0.130
local terms energy: -681.609884
where:
bonds (distance) C4'-P energy: -129.073
bonds (distance) P-C4' energy: -151.858
flat angles C4'-P-C4' energy: -143.955
flat angles P-C4'-P energy: -89.360
tors. eta vs tors. theta energy: -167.365
Dist. restrs. and SS energy: 2.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -2004.493039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.493039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.523134 (E_RNA)
where:
Base-Base interactions energy: -1370.768
where: short stacking energy: -572.902
Base-Backbone interact. energy: -3.924
local terms energy: -631.831224
where:
bonds (distance) C4'-P energy: -119.942
bonds (distance) P-C4' energy: -139.456
flat angles C4'-P-C4' energy: -146.589
flat angles P-C4'-P energy: -76.165
tors. eta vs tors. theta energy: -149.679
Dist. restrs. and SS energy: 2.030 (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: 1
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -1921.361807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.361807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.993876 (E_RNA)
where:
Base-Base interactions energy: -1305.614
where: short stacking energy: -560.245
Base-Backbone interact. energy: -2.020
local terms energy: -618.360389
where:
bonds (distance) C4'-P energy: -104.340
bonds (distance) P-C4' energy: -138.139
flat angles C4'-P-C4' energy: -145.175
flat angles P-C4'-P energy: -82.746
tors. eta vs tors. theta energy: -147.960
Dist. restrs. and SS energy: 4.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -1901.316277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.316277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.293531 (E_RNA)
where:
Base-Base interactions energy: -1274.076
where: short stacking energy: -534.954
Base-Backbone interact. energy: -1.198
local terms energy: -630.019838
where:
bonds (distance) C4'-P energy: -119.806
bonds (distance) P-C4' energy: -134.283
flat angles C4'-P-C4' energy: -151.335
flat angles P-C4'-P energy: -82.605
tors. eta vs tors. theta energy: -141.991
Dist. restrs. and SS energy: 3.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -2953.969857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2953.969857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2954.760196 (E_RNA)
where:
Base-Base interactions energy: -2042.774
where: short stacking energy: -869.506
Base-Backbone interact. energy: -0.993
local terms energy: -910.993252
where:
bonds (distance) C4'-P energy: -185.944
bonds (distance) P-C4' energy: -161.636
flat angles C4'-P-C4' energy: -186.160
flat angles P-C4'-P energy: -121.982
tors. eta vs tors. theta energy: -255.270
Dist. restrs. and SS energy: 0.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -2805.413973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.413973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.797223 (E_RNA)
where:
Base-Base interactions energy: -1985.529
where: short stacking energy: -807.499
Base-Backbone interact. energy: -3.901
local terms energy: -817.366613
where:
bonds (distance) C4'-P energy: -134.284
bonds (distance) P-C4' energy: -159.355
flat angles C4'-P-C4' energy: -178.351
flat angles P-C4'-P energy: -114.956
tors. eta vs tors. theta energy: -230.422
Dist. restrs. and SS energy: 1.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -2600.317389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.317389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.992517 (E_RNA)
where:
Base-Base interactions energy: -1777.137
where: short stacking energy: -744.263
Base-Backbone interact. energy: -2.242
local terms energy: -822.613964
where:
bonds (distance) C4'-P energy: -158.957
bonds (distance) P-C4' energy: -157.610
flat angles C4'-P-C4' energy: -172.640
flat angles P-C4'-P energy: -118.400
tors. eta vs tors. theta energy: -215.007
Dist. restrs. and SS energy: 1.675 (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: 6
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -2509.082070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.082070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.221781 (E_RNA)
where:
Base-Base interactions energy: -1706.440
where: short stacking energy: -734.577
Base-Backbone interact. energy: -1.300
local terms energy: -802.481165
where:
bonds (distance) C4'-P energy: -152.286
bonds (distance) P-C4' energy: -145.031
flat angles C4'-P-C4' energy: -182.559
flat angles P-C4'-P energy: -113.934
tors. eta vs tors. theta energy: -208.672
Dist. restrs. and SS energy: 1.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -2384.394547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.394547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.571617 (E_RNA)
where:
Base-Base interactions energy: -1630.387
where: short stacking energy: -690.994
Base-Backbone interact. energy: 5.432
local terms energy: -763.615994
where:
bonds (distance) C4'-P energy: -140.899
bonds (distance) P-C4' energy: -147.801
flat angles C4'-P-C4' energy: -176.177
flat angles P-C4'-P energy: -116.843
tors. eta vs tors. theta energy: -181.897
Dist. restrs. and SS energy: 4.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -2161.324143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.324143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.757176 (E_RNA)
where:
Base-Base interactions energy: -1457.350
where: short stacking energy: -611.975
Base-Backbone interact. energy: -0.290
local terms energy: -706.117138
where:
bonds (distance) C4'-P energy: -131.966
bonds (distance) P-C4' energy: -156.411
flat angles C4'-P-C4' energy: -146.868
flat angles P-C4'-P energy: -94.151
tors. eta vs tors. theta energy: -176.722
Dist. restrs. and SS energy: 2.433 (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: 10
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -2070.229125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.229125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.598782 (E_RNA)
where:
Base-Base interactions energy: -1412.137
where: short stacking energy: -602.153
Base-Backbone interact. energy: 1.801
local terms energy: -662.262138
where:
bonds (distance) C4'-P energy: -130.044
bonds (distance) P-C4' energy: -149.516
flat angles C4'-P-C4' energy: -143.731
flat angles P-C4'-P energy: -72.612
tors. eta vs tors. theta energy: -166.359
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: 8, replica: 2
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -2114.896870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.896870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.389646 (E_RNA)
where:
Base-Base interactions energy: -1437.852
where: short stacking energy: -632.667
Base-Backbone interact. energy: -0.916
local terms energy: -680.622256
where:
bonds (distance) C4'-P energy: -127.718
bonds (distance) P-C4' energy: -126.165
flat angles C4'-P-C4' energy: -139.499
flat angles P-C4'-P energy: -112.124
tors. eta vs tors. theta energy: -175.115
Dist. restrs. and SS energy: 4.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -1893.020354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.020354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.058754 (E_RNA)
where:
Base-Base interactions energy: -1308.414
where: short stacking energy: -538.760
Base-Backbone interact. energy: -1.871
local terms energy: -584.774093
where:
bonds (distance) C4'-P energy: -111.665
bonds (distance) P-C4' energy: -134.535
flat angles C4'-P-C4' energy: -129.665
flat angles P-C4'-P energy: -83.095
tors. eta vs tors. theta energy: -125.814
Dist. restrs. and SS energy: 2.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -1903.341896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.341896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.615862 (E_RNA)
where:
Base-Base interactions energy: -1243.039
where: short stacking energy: -529.616
Base-Backbone interact. energy: -0.659
local terms energy: -662.917259
where:
bonds (distance) C4'-P energy: -146.514
bonds (distance) P-C4' energy: -128.740
flat angles C4'-P-C4' energy: -148.216
flat angles P-C4'-P energy: -97.573
tors. eta vs tors. theta energy: -141.874
Dist. restrs. and SS energy: 3.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -2928.869919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2928.869919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2930.054624 (E_RNA)
where:
Base-Base interactions energy: -2046.456
where: short stacking energy: -852.963
Base-Backbone interact. energy: -3.423
local terms energy: -880.174999
where:
bonds (distance) C4'-P energy: -151.503
bonds (distance) P-C4' energy: -159.894
flat angles C4'-P-C4' energy: -182.190
flat angles P-C4'-P energy: -131.999
tors. eta vs tors. theta energy: -254.588
Dist. restrs. and SS energy: 1.185 (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: 4
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -2832.457624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.457624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2834.504218 (E_RNA)
where:
Base-Base interactions energy: -1967.552
where: short stacking energy: -823.261
Base-Backbone interact. energy: -4.301
local terms energy: -862.651211
where:
bonds (distance) C4'-P energy: -158.268
bonds (distance) P-C4' energy: -158.763
flat angles C4'-P-C4' energy: -187.376
flat angles P-C4'-P energy: -122.515
tors. eta vs tors. theta energy: -235.729
Dist. restrs. and SS energy: 2.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -2622.303965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.303965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.809502 (E_RNA)
where:
Base-Base interactions energy: -1807.099
where: short stacking energy: -759.841
Base-Backbone interact. energy: -1.977
local terms energy: -815.733132
where:
bonds (distance) C4'-P energy: -148.196
bonds (distance) P-C4' energy: -157.294
flat angles C4'-P-C4' energy: -178.967
flat angles P-C4'-P energy: -123.216
tors. eta vs tors. theta energy: -208.061
Dist. restrs. and SS energy: 2.506 (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: 6
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -2524.571925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.571925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.400758 (E_RNA)
where:
Base-Base interactions energy: -1717.141
where: short stacking energy: -759.254
Base-Backbone interact. energy: 4.950
local terms energy: -814.209887
where:
bonds (distance) C4'-P energy: -150.826
bonds (distance) P-C4' energy: -162.982
flat angles C4'-P-C4' energy: -172.081
flat angles P-C4'-P energy: -104.584
tors. eta vs tors. theta energy: -223.737
Dist. restrs. and SS energy: 1.829 (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: 7
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -2345.570666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.570666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.596160 (E_RNA)
where:
Base-Base interactions energy: -1616.504
where: short stacking energy: -706.932
Base-Backbone interact. energy: 1.247
local terms energy: -732.338846
where:
bonds (distance) C4'-P energy: -123.746
bonds (distance) P-C4' energy: -166.671
flat angles C4'-P-C4' energy: -147.964
flat angles P-C4'-P energy: -103.194
tors. eta vs tors. theta energy: -190.765
Dist. restrs. and SS energy: 2.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -2116.063219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.063219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.027095 (E_RNA)
where:
Base-Base interactions energy: -1457.451
where: short stacking energy: -647.148
Base-Backbone interact. energy: 2.657
local terms energy: -663.233270
where:
bonds (distance) C4'-P energy: -136.551
bonds (distance) P-C4' energy: -118.433
flat angles C4'-P-C4' energy: -156.048
flat angles P-C4'-P energy: -81.908
tors. eta vs tors. theta energy: -170.293
Dist. restrs. and SS energy: 1.964 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -2095.260435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.260435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.931014 (E_RNA)
where:
Base-Base interactions energy: -1402.368
where: short stacking energy: -596.752
Base-Backbone interact. energy: -0.880
local terms energy: -693.682747
where:
bonds (distance) C4'-P energy: -132.406
bonds (distance) P-C4' energy: -160.258
flat angles C4'-P-C4' energy: -135.412
flat angles P-C4'-P energy: -101.552
tors. eta vs tors. theta energy: -164.055
Dist. restrs. and SS energy: 1.671 (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: 2
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -2089.099767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.099767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.080430 (E_RNA)
where:
Base-Base interactions energy: -1398.184
where: short stacking energy: -588.812
Base-Backbone interact. energy: 5.267
local terms energy: -698.163364
where:
bonds (distance) C4'-P energy: -148.561
bonds (distance) P-C4' energy: -129.809
flat angles C4'-P-C4' energy: -146.825
flat angles P-C4'-P energy: -94.969
tors. eta vs tors. theta energy: -177.999
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: 9, replica: 8
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -1933.165844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.165844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.499441 (E_RNA)
where:
Base-Base interactions energy: -1331.669
where: short stacking energy: -548.902
Base-Backbone interact. energy: 10.951
local terms energy: -613.781027
where:
bonds (distance) C4'-P energy: -133.030
bonds (distance) P-C4' energy: -126.655
flat angles C4'-P-C4' energy: -137.685
flat angles P-C4'-P energy: -82.504
tors. eta vs tors. theta energy: -133.906
Dist. restrs. and SS energy: 1.334 (S_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: 241
Temperature: 1.350000
Total energy: -1881.587711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.587711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.904962 (E_RNA)
where:
Base-Base interactions energy: -1298.654
where: short stacking energy: -568.445
Base-Backbone interact. energy: -0.464
local terms energy: -587.787276
where:
bonds (distance) C4'-P energy: -116.572
bonds (distance) P-C4' energy: -121.506
flat angles C4'-P-C4' energy: -125.062
flat angles P-C4'-P energy: -54.024
tors. eta vs tors. theta energy: -170.624
Dist. restrs. and SS energy: 5.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -2921.072602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2921.072602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2922.929826 (E_RNA)
where:
Base-Base interactions energy: -2036.135
where: short stacking energy: -852.400
Base-Backbone interact. energy: -4.196
local terms energy: -882.598254
where:
bonds (distance) C4'-P energy: -149.972
bonds (distance) P-C4' energy: -171.997
flat angles C4'-P-C4' energy: -182.084
flat angles P-C4'-P energy: -128.085
tors. eta vs tors. theta energy: -250.460
Dist. restrs. and SS energy: 1.857 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -2809.019514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.019514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.051317 (E_RNA)
where:
Base-Base interactions energy: -1973.003
where: short stacking energy: -804.305
Base-Backbone interact. energy: -3.695
local terms energy: -833.353937
where:
bonds (distance) C4'-P energy: -150.391
bonds (distance) P-C4' energy: -160.222
flat angles C4'-P-C4' energy: -173.020
flat angles P-C4'-P energy: -116.001
tors. eta vs tors. theta energy: -233.721
Dist. restrs. and SS energy: 1.032 (S_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: 242
Temperature: 1.000000
Total energy: -2634.463908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.463908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.723425 (E_RNA)
where:
Base-Base interactions energy: -1811.633
where: short stacking energy: -754.593
Base-Backbone interact. energy: 0.075
local terms energy: -824.165657
where:
bonds (distance) C4'-P energy: -167.313
bonds (distance) P-C4' energy: -156.706
flat angles C4'-P-C4' energy: -170.022
flat angles P-C4'-P energy: -113.992
tors. eta vs tors. theta energy: -216.134
Dist. restrs. and SS energy: 1.260 (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: 6
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -2476.452514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.452514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.680436 (E_RNA)
where:
Base-Base interactions energy: -1721.620
where: short stacking energy: -715.329
Base-Backbone interact. energy: 4.499
local terms energy: -760.559369
where:
bonds (distance) C4'-P energy: -135.909
bonds (distance) P-C4' energy: -143.024
flat angles C4'-P-C4' energy: -172.889
flat angles P-C4'-P energy: -108.060
tors. eta vs tors. theta energy: -200.677
Dist. restrs. and SS energy: 1.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -2348.131709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.131709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.315811 (E_RNA)
where:
Base-Base interactions energy: -1605.200
where: short stacking energy: -687.510
Base-Backbone interact. energy: -1.941
local terms energy: -745.174353
where:
bonds (distance) C4'-P energy: -142.018
bonds (distance) P-C4' energy: -153.135
flat angles C4'-P-C4' energy: -157.797
flat angles P-C4'-P energy: -92.888
tors. eta vs tors. theta energy: -199.336
Dist. restrs. and SS energy: 4.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -2174.040223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.040223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.517454 (E_RNA)
where:
Base-Base interactions energy: -1464.232
where: short stacking energy: -653.848
Base-Backbone interact. energy: 1.871
local terms energy: -714.155656
where:
bonds (distance) C4'-P energy: -146.142
bonds (distance) P-C4' energy: -129.384
flat angles C4'-P-C4' energy: -169.511
flat angles P-C4'-P energy: -78.148
tors. eta vs tors. theta energy: -190.972
Dist. restrs. and SS energy: 2.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -2110.986233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.986233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.044134 (E_RNA)
where:
Base-Base interactions energy: -1430.472
where: short stacking energy: -601.634
Base-Backbone interact. energy: -2.036
local terms energy: -680.536619
where:
bonds (distance) C4'-P energy: -132.536
bonds (distance) P-C4' energy: -150.536
flat angles C4'-P-C4' energy: -152.639
flat angles P-C4'-P energy: -91.187
tors. eta vs tors. theta energy: -153.640
Dist. restrs. and SS energy: 2.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -1990.495210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.495210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.296165 (E_RNA)
where:
Base-Base interactions energy: -1372.696
where: short stacking energy: -591.127
Base-Backbone interact. energy: 1.805
local terms energy: -621.405730
where:
bonds (distance) C4'-P energy: -120.437
bonds (distance) P-C4' energy: -134.604
flat angles C4'-P-C4' energy: -141.758
flat angles P-C4'-P energy: -70.272
tors. eta vs tors. theta energy: -154.334
Dist. restrs. and SS energy: 1.801 (S_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: 242
Temperature: 1.300000
Total energy: -1903.447429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.447429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.890166 (E_RNA)
where:
Base-Base interactions energy: -1299.523
where: short stacking energy: -556.719
Base-Backbone interact. energy: -2.416
local terms energy: -605.950290
where:
bonds (distance) C4'-P energy: -104.474
bonds (distance) P-C4' energy: -143.595
flat angles C4'-P-C4' energy: -148.584
flat angles P-C4'-P energy: -73.428
tors. eta vs tors. theta energy: -135.869
Dist. restrs. and SS energy: 4.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -1851.262052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.262052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.626374 (E_RNA)
where:
Base-Base interactions energy: -1239.802
where: short stacking energy: -496.354
Base-Backbone interact. energy: -1.086
local terms energy: -614.738079
where:
bonds (distance) C4'-P energy: -132.055
bonds (distance) P-C4' energy: -132.613
flat angles C4'-P-C4' energy: -131.677
flat angles P-C4'-P energy: -89.327
tors. eta vs tors. theta energy: -129.065
Dist. restrs. and SS energy: 4.364 (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: 9
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -2896.958699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2896.958699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2898.732202 (E_RNA)
where:
Base-Base interactions energy: -2033.708
where: short stacking energy: -850.385
Base-Backbone interact. energy: -0.605
local terms energy: -864.418977
where:
bonds (distance) C4'-P energy: -148.718
bonds (distance) P-C4' energy: -169.666
flat angles C4'-P-C4' energy: -181.149
flat angles P-C4'-P energy: -119.330
tors. eta vs tors. theta energy: -245.556
Dist. restrs. and SS energy: 1.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -2815.649804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2815.649804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.531771 (E_RNA)
where:
Base-Base interactions energy: -1981.620
where: short stacking energy: -854.633
Base-Backbone interact. energy: -3.377
local terms energy: -832.535145
where:
bonds (distance) C4'-P energy: -167.778
bonds (distance) P-C4' energy: -144.038
flat angles C4'-P-C4' energy: -179.915
flat angles P-C4'-P energy: -103.601
tors. eta vs tors. theta energy: -237.203
Dist. restrs. and SS energy: 1.882 (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: 5
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -2654.707848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.707848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.993802 (E_RNA)
where:
Base-Base interactions energy: -1832.032
where: short stacking energy: -750.571
Base-Backbone interact. energy: -0.961
local terms energy: -823.000429
where:
bonds (distance) C4'-P energy: -159.966
bonds (distance) P-C4' energy: -152.028
flat angles C4'-P-C4' energy: -166.205
flat angles P-C4'-P energy: -126.507
tors. eta vs tors. theta energy: -218.294
Dist. restrs. and SS energy: 1.286 (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: 6
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -2564.372302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.372302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.313872 (E_RNA)
where:
Base-Base interactions energy: -1774.368
where: short stacking energy: -767.793
Base-Backbone interact. energy: 2.611
local terms energy: -795.556845
where:
bonds (distance) C4'-P energy: -142.050
bonds (distance) P-C4' energy: -148.708
flat angles C4'-P-C4' energy: -177.400
flat angles P-C4'-P energy: -109.478
tors. eta vs tors. theta energy: -217.920
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: 5, replica: 7
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -2402.486130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.486130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.288442 (E_RNA)
where:
Base-Base interactions energy: -1645.711
where: short stacking energy: -698.123
Base-Backbone interact. energy: 4.094
local terms energy: -763.671467
where:
bonds (distance) C4'-P energy: -127.934
bonds (distance) P-C4' energy: -150.516
flat angles C4'-P-C4' energy: -177.519
flat angles P-C4'-P energy: -115.684
tors. eta vs tors. theta energy: -192.019
Dist. restrs. and SS energy: 2.802 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -2198.019412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.019412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.670478 (E_RNA)
where:
Base-Base interactions energy: -1469.039
where: short stacking energy: -666.613
Base-Backbone interact. energy: -0.667
local terms energy: -730.964198
where:
bonds (distance) C4'-P energy: -149.221
bonds (distance) P-C4' energy: -153.507
flat angles C4'-P-C4' energy: -161.327
flat angles P-C4'-P energy: -89.621
tors. eta vs tors. theta energy: -177.288
Dist. restrs. and SS energy: 2.651 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -2089.160768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.160768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.223503 (E_RNA)
where:
Base-Base interactions energy: -1369.414
where: short stacking energy: -599.917
Base-Backbone interact. energy: -1.851
local terms energy: -720.958358
where:
bonds (distance) C4'-P energy: -145.733
bonds (distance) P-C4' energy: -147.447
flat angles C4'-P-C4' energy: -173.287
flat angles P-C4'-P energy: -97.476
tors. eta vs tors. theta energy: -157.016
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: 8, replica: 3
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -2002.912778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.912778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.852047 (E_RNA)
where:
Base-Base interactions energy: -1366.976
where: short stacking energy: -569.325
Base-Backbone interact. energy: -1.637
local terms energy: -636.239133
where:
bonds (distance) C4'-P energy: -124.891
bonds (distance) P-C4' energy: -117.109
flat angles C4'-P-C4' energy: -160.033
flat angles P-C4'-P energy: -92.203
tors. eta vs tors. theta energy: -142.003
Dist. restrs. and SS energy: 1.939 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -1924.133560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.133560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.836398 (E_RNA)
where:
Base-Base interactions energy: -1305.405
where: short stacking energy: -538.892
Base-Backbone interact. energy: 2.239
local terms energy: -626.670182
where:
bonds (distance) C4'-P energy: -123.650
bonds (distance) P-C4' energy: -146.269
flat angles C4'-P-C4' energy: -143.766
flat angles P-C4'-P energy: -80.472
tors. eta vs tors. theta energy: -132.513
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: 10, replica: 1
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -1884.522238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.522238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.282495 (E_RNA)
where:
Base-Base interactions energy: -1267.964
where: short stacking energy: -555.998
Base-Backbone interact. energy: -1.511
local terms energy: -618.807030
where:
bonds (distance) C4'-P energy: -116.574
bonds (distance) P-C4' energy: -122.618
flat angles C4'-P-C4' energy: -143.548
flat angles P-C4'-P energy: -94.445
tors. eta vs tors. theta energy: -141.622
Dist. restrs. and SS energy: 3.760 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -2871.605603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2871.605603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2873.978678 (E_RNA)
where:
Base-Base interactions energy: -1993.419
where: short stacking energy: -835.783
Base-Backbone interact. energy: -5.620
local terms energy: -874.939479
where:
bonds (distance) C4'-P energy: -161.714
bonds (distance) P-C4' energy: -157.487
flat angles C4'-P-C4' energy: -189.598
flat angles P-C4'-P energy: -125.566
tors. eta vs tors. theta energy: -240.574
Dist. restrs. and SS energy: 2.373 (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: 9
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -2839.609258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2839.609258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2841.918172 (E_RNA)
where:
Base-Base interactions energy: -1995.552
where: short stacking energy: -838.144
Base-Backbone interact. energy: -2.751
local terms energy: -843.614669
where:
bonds (distance) C4'-P energy: -146.885
bonds (distance) P-C4' energy: -149.759
flat angles C4'-P-C4' energy: -175.612
flat angles P-C4'-P energy: -124.776
tors. eta vs tors. theta energy: -246.582
Dist. restrs. and SS energy: 2.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -2571.617569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.617569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.462530 (E_RNA)
where:
Base-Base interactions energy: -1766.613
where: short stacking energy: -752.468
Base-Backbone interact. energy: 4.902
local terms energy: -813.751507
where:
bonds (distance) C4'-P energy: -152.707
bonds (distance) P-C4' energy: -159.502
flat angles C4'-P-C4' energy: -178.159
flat angles P-C4'-P energy: -113.375
tors. eta vs tors. theta energy: -210.009
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: 4, replica: 5
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -2534.900940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.900940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.267574 (E_RNA)
where:
Base-Base interactions energy: -1754.221
where: short stacking energy: -761.794
Base-Backbone interact. energy: -0.956
local terms energy: -781.090486
where:
bonds (distance) C4'-P energy: -149.068
bonds (distance) P-C4' energy: -142.018
flat angles C4'-P-C4' energy: -186.325
flat angles P-C4'-P energy: -89.409
tors. eta vs tors. theta energy: -214.271
Dist. restrs. and SS energy: 1.367 (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: 7
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -2416.452691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.452691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.491181 (E_RNA)
where:
Base-Base interactions energy: -1665.975
where: short stacking energy: -737.733
Base-Backbone interact. energy: -1.194
local terms energy: -752.322354
where:
bonds (distance) C4'-P energy: -117.660
bonds (distance) P-C4' energy: -133.775
flat angles C4'-P-C4' energy: -174.187
flat angles P-C4'-P energy: -116.036
tors. eta vs tors. theta energy: -210.664
Dist. restrs. and SS energy: 3.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -2218.885609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.885609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.712830 (E_RNA)
where:
Base-Base interactions energy: -1495.314
where: short stacking energy: -653.641
Base-Backbone interact. energy: -1.014
local terms energy: -724.384769
where:
bonds (distance) C4'-P energy: -136.525
bonds (distance) P-C4' energy: -143.948
flat angles C4'-P-C4' energy: -163.690
flat angles P-C4'-P energy: -101.819
tors. eta vs tors. theta energy: -178.402
Dist. restrs. and SS energy: 1.827 (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: 10
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -2131.728329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.728329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.212292 (E_RNA)
where:
Base-Base interactions energy: -1426.338
where: short stacking energy: -600.318
Base-Backbone interact. energy: -1.067
local terms energy: -705.807355
where:
bonds (distance) C4'-P energy: -130.674
bonds (distance) P-C4' energy: -139.641
flat angles C4'-P-C4' energy: -154.633
flat angles P-C4'-P energy: -103.333
tors. eta vs tors. theta energy: -177.527
Dist. restrs. and SS energy: 1.484 (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: 3
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -2005.322211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.322211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.786354 (E_RNA)
where:
Base-Base interactions energy: -1369.767
where: short stacking energy: -563.565
Base-Backbone interact. energy: 2.259
local terms energy: -640.278164
where:
bonds (distance) C4'-P energy: -114.989
bonds (distance) P-C4' energy: -138.006
flat angles C4'-P-C4' energy: -154.439
flat angles P-C4'-P energy: -86.235
tors. eta vs tors. theta energy: -146.609
Dist. restrs. and SS energy: 2.464 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -1942.986660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.986660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.689907 (E_RNA)
where:
Base-Base interactions energy: -1325.445
where: short stacking energy: -570.440
Base-Backbone interact. energy: 4.339
local terms energy: -627.583596
where:
bonds (distance) C4'-P energy: -121.139
bonds (distance) P-C4' energy: -147.531
flat angles C4'-P-C4' energy: -129.384
flat angles P-C4'-P energy: -79.915
tors. eta vs tors. theta energy: -149.614
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: 10, replica: 1
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -1861.030652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.030652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.939058 (E_RNA)
where:
Base-Base interactions energy: -1236.951
where: short stacking energy: -522.721
Base-Backbone interact. energy: 1.328
local terms energy: -630.316295
where:
bonds (distance) C4'-P energy: -142.626
bonds (distance) P-C4' energy: -128.738
flat angles C4'-P-C4' energy: -127.022
flat angles P-C4'-P energy: -96.345
tors. eta vs tors. theta energy: -135.586
Dist. restrs. and SS energy: 4.908 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -2862.204870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2862.204870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2863.886944 (E_RNA)
where:
Base-Base interactions energy: -2005.578
where: short stacking energy: -821.305
Base-Backbone interact. energy: -2.107
local terms energy: -856.201321
where:
bonds (distance) C4'-P energy: -153.694
bonds (distance) P-C4' energy: -158.086
flat angles C4'-P-C4' energy: -185.965
flat angles P-C4'-P energy: -117.842
tors. eta vs tors. theta energy: -240.614
Dist. restrs. and SS energy: 1.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -2860.408854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2860.408854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2862.880485 (E_RNA)
where:
Base-Base interactions energy: -1999.692
where: short stacking energy: -834.497
Base-Backbone interact. energy: -3.171
local terms energy: -860.018231
where:
bonds (distance) C4'-P energy: -149.643
bonds (distance) P-C4' energy: -157.599
flat angles C4'-P-C4' energy: -190.951
flat angles P-C4'-P energy: -120.838
tors. eta vs tors. theta energy: -240.987
Dist. restrs. and SS energy: 2.472 (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: 6
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -2554.375785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.375785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.550403 (E_RNA)
where:
Base-Base interactions energy: -1742.862
where: short stacking energy: -762.546
Base-Backbone interact. energy: 4.567
local terms energy: -818.255664
where:
bonds (distance) C4'-P energy: -149.692
bonds (distance) P-C4' energy: -153.232
flat angles C4'-P-C4' energy: -174.198
flat angles P-C4'-P energy: -118.548
tors. eta vs tors. theta energy: -222.586
Dist. restrs. and SS energy: 2.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -2571.613502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.613502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.168462 (E_RNA)
where:
Base-Base interactions energy: -1778.076
where: short stacking energy: -742.028
Base-Backbone interact. energy: -5.694
local terms energy: -789.398237
where:
bonds (distance) C4'-P energy: -142.018
bonds (distance) P-C4' energy: -147.637
flat angles C4'-P-C4' energy: -170.827
flat angles P-C4'-P energy: -115.397
tors. eta vs tors. theta energy: -213.519
Dist. restrs. and SS energy: 1.555 (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: 7
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -2412.975354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.975354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.590454 (E_RNA)
where:
Base-Base interactions energy: -1653.219
where: short stacking energy: -665.926
Base-Backbone interact. energy: 0.935
local terms energy: -763.306635
where:
bonds (distance) C4'-P energy: -155.365
bonds (distance) P-C4' energy: -129.688
flat angles C4'-P-C4' energy: -172.168
flat angles P-C4'-P energy: -100.254
tors. eta vs tors. theta energy: -205.832
Dist. restrs. and SS energy: 2.615 (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: 2
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -2183.698486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.698486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.476709 (E_RNA)
where:
Base-Base interactions energy: -1459.900
where: short stacking energy: -621.258
Base-Backbone interact. energy: -3.507
local terms energy: -721.069453
where:
bonds (distance) C4'-P energy: -130.933
bonds (distance) P-C4' energy: -151.639
flat angles C4'-P-C4' energy: -162.963
flat angles P-C4'-P energy: -103.644
tors. eta vs tors. theta energy: -171.891
Dist. restrs. and SS energy: 0.778 (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: 10
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -2099.437416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.437416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.003276 (E_RNA)
where:
Base-Base interactions energy: -1434.476
where: short stacking energy: -624.110
Base-Backbone interact. energy: -3.688
local terms energy: -662.838988
where:
bonds (distance) C4'-P energy: -116.344
bonds (distance) P-C4' energy: -128.765
flat angles C4'-P-C4' energy: -149.437
flat angles P-C4'-P energy: -104.102
tors. eta vs tors. theta energy: -164.191
Dist. restrs. and SS energy: 1.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -2011.040517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.040517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.524303 (E_RNA)
where:
Base-Base interactions energy: -1340.317
where: short stacking energy: -593.956
Base-Backbone interact. energy: -2.566
local terms energy: -669.641755
where:
bonds (distance) C4'-P energy: -134.373
bonds (distance) P-C4' energy: -151.439
flat angles C4'-P-C4' energy: -154.362
flat angles P-C4'-P energy: -76.868
tors. eta vs tors. theta energy: -152.599
Dist. restrs. and SS energy: 1.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -1975.941886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.941886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.671392 (E_RNA)
where:
Base-Base interactions energy: -1315.875
where: short stacking energy: -555.592
Base-Backbone interact. energy: -0.920
local terms energy: -660.876658
where:
bonds (distance) C4'-P energy: -131.872
bonds (distance) P-C4' energy: -129.770
flat angles C4'-P-C4' energy: -142.142
flat angles P-C4'-P energy: -100.829
tors. eta vs tors. theta energy: -156.264
Dist. restrs. and SS energy: 1.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -1887.734723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.734723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.390835 (E_RNA)
where:
Base-Base interactions energy: -1282.289
where: short stacking energy: -538.024
Base-Backbone interact. energy: 5.481
local terms energy: -614.583653
where:
bonds (distance) C4'-P energy: -129.846
bonds (distance) P-C4' energy: -146.011
flat angles C4'-P-C4' energy: -132.574
flat angles P-C4'-P energy: -42.530
tors. eta vs tors. theta energy: -163.622
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: 1, replica: 4
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -2904.468682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2904.468682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2906.448412 (E_RNA)
where:
Base-Base interactions energy: -2037.060
where: short stacking energy: -849.916
Base-Backbone interact. energy: -4.143
local terms energy: -865.245011
where:
bonds (distance) C4'-P energy: -152.781
bonds (distance) P-C4' energy: -155.688
flat angles C4'-P-C4' energy: -188.942
flat angles P-C4'-P energy: -122.423
tors. eta vs tors. theta energy: -245.410
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: 9
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -2875.401779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2875.401779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2877.965931 (E_RNA)
where:
Base-Base interactions energy: -1999.952
where: short stacking energy: -848.088
Base-Backbone interact. energy: -2.794
local terms energy: -875.219980
where:
bonds (distance) C4'-P energy: -144.445
bonds (distance) P-C4' energy: -150.317
flat angles C4'-P-C4' energy: -195.646
flat angles P-C4'-P energy: -119.803
tors. eta vs tors. theta energy: -265.010
Dist. restrs. and SS energy: 2.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -2610.687365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.687365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.791686 (E_RNA)
where:
Base-Base interactions energy: -1776.693
where: short stacking energy: -775.302
Base-Backbone interact. energy: -0.267
local terms energy: -835.831648
where:
bonds (distance) C4'-P energy: -147.430
bonds (distance) P-C4' energy: -133.987
flat angles C4'-P-C4' energy: -193.120
flat angles P-C4'-P energy: -127.317
tors. eta vs tors. theta energy: -233.977
Dist. restrs. and SS energy: 2.104 (S_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: 246
Temperature: 1.050000
Total energy: -2572.042321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.042321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.039451 (E_RNA)
where:
Base-Base interactions energy: -1778.292
where: short stacking energy: -761.193
Base-Backbone interact. energy: -4.234
local terms energy: -791.514047
where:
bonds (distance) C4'-P energy: -142.974
bonds (distance) P-C4' energy: -141.883
flat angles C4'-P-C4' energy: -169.319
flat angles P-C4'-P energy: -114.628
tors. eta vs tors. theta energy: -222.710
Dist. restrs. and SS energy: 1.997 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -2399.555898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.555898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.973877 (E_RNA)
where:
Base-Base interactions energy: -1641.169
where: short stacking energy: -692.462
Base-Backbone interact. energy: -3.655
local terms energy: -757.149955
where:
bonds (distance) C4'-P energy: -131.708
bonds (distance) P-C4' energy: -159.122
flat angles C4'-P-C4' energy: -165.000
flat angles P-C4'-P energy: -99.503
tors. eta vs tors. theta energy: -201.817
Dist. restrs. and SS energy: 2.418 (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: 2
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -2225.103953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.103953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.705614 (E_RNA)
where:
Base-Base interactions energy: -1487.017
where: short stacking energy: -663.083
Base-Backbone interact. energy: -0.361
local terms energy: -740.327599
where:
bonds (distance) C4'-P energy: -146.516
bonds (distance) P-C4' energy: -141.647
flat angles C4'-P-C4' energy: -168.341
flat angles P-C4'-P energy: -96.448
tors. eta vs tors. theta energy: -187.376
Dist. restrs. and SS energy: 2.602 (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: 10
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -2115.008802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.008802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.527539 (E_RNA)
where:
Base-Base interactions energy: -1456.298
where: short stacking energy: -617.989
Base-Backbone interact. energy: -0.009
local terms energy: -660.221244
where:
bonds (distance) C4'-P energy: -131.006
bonds (distance) P-C4' energy: -129.101
flat angles C4'-P-C4' energy: -147.792
flat angles P-C4'-P energy: -90.393
tors. eta vs tors. theta energy: -161.929
Dist. restrs. and SS energy: 1.519 (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: 8
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -2110.930051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.930051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.356124 (E_RNA)
where:
Base-Base interactions energy: -1429.499
where: short stacking energy: -618.333
Base-Backbone interact. energy: 0.004
local terms energy: -683.860538
where:
bonds (distance) C4'-P energy: -136.000
bonds (distance) P-C4' energy: -141.077
flat angles C4'-P-C4' energy: -149.502
flat angles P-C4'-P energy: -94.482
tors. eta vs tors. theta energy: -162.800
Dist. restrs. and SS energy: 2.426 (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: 1
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -1915.243012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.243012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.305188 (E_RNA)
where:
Base-Base interactions energy: -1258.171
where: short stacking energy: -546.147
Base-Backbone interact. energy: 1.064
local terms energy: -664.198546
where:
bonds (distance) C4'-P energy: -133.708
bonds (distance) P-C4' energy: -148.781
flat angles C4'-P-C4' energy: -136.847
flat angles P-C4'-P energy: -90.305
tors. eta vs tors. theta energy: -154.558
Dist. restrs. and SS energy: 6.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -1882.836751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.836751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.569605 (E_RNA)
where:
Base-Base interactions energy: -1269.502
where: short stacking energy: -535.715
Base-Backbone interact. energy: 0.669
local terms energy: -616.736762
where:
bonds (distance) C4'-P energy: -129.243
bonds (distance) P-C4' energy: -123.634
flat angles C4'-P-C4' energy: -138.297
flat angles P-C4'-P energy: -98.118
tors. eta vs tors. theta energy: -127.445
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: 1, replica: 4
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -2884.670460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2884.670460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2886.393078 (E_RNA)
where:
Base-Base interactions energy: -1997.273
where: short stacking energy: -835.963
Base-Backbone interact. energy: -0.875
local terms energy: -888.244989
where:
bonds (distance) C4'-P energy: -158.507
bonds (distance) P-C4' energy: -157.717
flat angles C4'-P-C4' energy: -189.430
flat angles P-C4'-P energy: -134.770
tors. eta vs tors. theta energy: -247.820
Dist. restrs. and SS energy: 1.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -2843.204094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2843.204094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2845.316482 (E_RNA)
where:
Base-Base interactions energy: -1985.686
where: short stacking energy: -824.442
Base-Backbone interact. energy: -0.728
local terms energy: -858.902888
where:
bonds (distance) C4'-P energy: -143.444
bonds (distance) P-C4' energy: -156.501
flat angles C4'-P-C4' energy: -190.665
flat angles P-C4'-P energy: -128.586
tors. eta vs tors. theta energy: -239.708
Dist. restrs. and SS energy: 2.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -2571.452834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.452834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.236307 (E_RNA)
where:
Base-Base interactions energy: -1771.504
where: short stacking energy: -775.926
Base-Backbone interact. energy: -2.825
local terms energy: -798.907267
where:
bonds (distance) C4'-P energy: -150.083
bonds (distance) P-C4' energy: -155.669
flat angles C4'-P-C4' energy: -172.309
flat angles P-C4'-P energy: -100.265
tors. eta vs tors. theta energy: -220.581
Dist. restrs. and SS energy: 1.783 (S_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: 247
Temperature: 1.050000
Total energy: -2543.597462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.597462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.591674 (E_RNA)
where:
Base-Base interactions energy: -1753.554
where: short stacking energy: -728.702
Base-Backbone interact. energy: 2.316
local terms energy: -795.353722
where:
bonds (distance) C4'-P energy: -159.939
bonds (distance) P-C4' energy: -147.942
flat angles C4'-P-C4' energy: -165.637
flat angles P-C4'-P energy: -117.274
tors. eta vs tors. theta energy: -204.561
Dist. restrs. and SS energy: 2.994 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -2415.532085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.532085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.804675 (E_RNA)
where:
Base-Base interactions energy: -1640.940
where: short stacking energy: -694.429
Base-Backbone interact. energy: -4.078
local terms energy: -773.786203
where:
bonds (distance) C4'-P energy: -148.330
bonds (distance) P-C4' energy: -149.533
flat angles C4'-P-C4' energy: -164.262
flat angles P-C4'-P energy: -108.336
tors. eta vs tors. theta energy: -203.325
Dist. restrs. and SS energy: 3.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -2233.098907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.098907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.333051 (E_RNA)
where:
Base-Base interactions energy: -1505.867
where: short stacking energy: -642.242
Base-Backbone interact. energy: -0.754
local terms energy: -729.711279
where:
bonds (distance) C4'-P energy: -140.239
bonds (distance) P-C4' energy: -135.739
flat angles C4'-P-C4' energy: -161.859
flat angles P-C4'-P energy: -102.615
tors. eta vs tors. theta energy: -189.259
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: 7, replica: 10
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -2111.350618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.350618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.913010 (E_RNA)
where:
Base-Base interactions energy: -1431.712
where: short stacking energy: -630.459
Base-Backbone interact. energy: -2.039
local terms energy: -680.161875
where:
bonds (distance) C4'-P energy: -115.154
bonds (distance) P-C4' energy: -140.155
flat angles C4'-P-C4' energy: -155.078
flat angles P-C4'-P energy: -95.413
tors. eta vs tors. theta energy: -174.363
Dist. restrs. and SS energy: 2.562 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -2069.955196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.955196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.011362 (E_RNA)
where:
Base-Base interactions energy: -1411.925
where: short stacking energy: -605.574
Base-Backbone interact. energy: -1.675
local terms energy: -659.411899
where:
bonds (distance) C4'-P energy: -94.175
bonds (distance) P-C4' energy: -123.905
flat angles C4'-P-C4' energy: -159.519
flat angles P-C4'-P energy: -119.286
tors. eta vs tors. theta energy: -162.527
Dist. restrs. and SS energy: 3.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -1945.753067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.753067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.286814 (E_RNA)
where:
Base-Base interactions energy: -1314.170
where: short stacking energy: -534.045
Base-Backbone interact. energy: -2.141
local terms energy: -631.975499
where:
bonds (distance) C4'-P energy: -124.526
bonds (distance) P-C4' energy: -127.572
flat angles C4'-P-C4' energy: -137.957
flat angles P-C4'-P energy: -86.481
tors. eta vs tors. theta energy: -155.440
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: 10, replica: 3
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -1936.443720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.443720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.101667 (E_RNA)
where:
Base-Base interactions energy: -1317.687
where: short stacking energy: -572.849
Base-Backbone interact. energy: -2.787
local terms energy: -618.627393
where:
bonds (distance) C4'-P energy: -124.393
bonds (distance) P-C4' energy: -118.628
flat angles C4'-P-C4' energy: -143.741
flat angles P-C4'-P energy: -79.879
tors. eta vs tors. theta energy: -151.986
Dist. restrs. and SS energy: 2.658 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -2930.819396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2930.819396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2934.600310 (E_RNA)
where:
Base-Base interactions energy: -2017.695
where: short stacking energy: -843.334
Base-Backbone interact. energy: -5.532
local terms energy: -911.374027
where:
bonds (distance) C4'-P energy: -178.330
bonds (distance) P-C4' energy: -169.946
flat angles C4'-P-C4' energy: -181.984
flat angles P-C4'-P energy: -134.605
tors. eta vs tors. theta energy: -246.508
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: 4
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -2812.485357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.485357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.960884 (E_RNA)
where:
Base-Base interactions energy: -1966.345
where: short stacking energy: -814.724
Base-Backbone interact. energy: -0.404
local terms energy: -847.212029
where:
bonds (distance) C4'-P energy: -156.120
bonds (distance) P-C4' energy: -148.493
flat angles C4'-P-C4' energy: -188.340
flat angles P-C4'-P energy: -119.003
tors. eta vs tors. theta energy: -235.256
Dist. restrs. and SS energy: 1.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -2588.804303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.804303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.797984 (E_RNA)
where:
Base-Base interactions energy: -1756.428
where: short stacking energy: -779.559
Base-Backbone interact. energy: -1.575
local terms energy: -832.795529
where:
bonds (distance) C4'-P energy: -152.828
bonds (distance) P-C4' energy: -163.432
flat angles C4'-P-C4' energy: -172.752
flat angles P-C4'-P energy: -119.475
tors. eta vs tors. theta energy: -224.309
Dist. restrs. and SS energy: 1.994 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -2561.330166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.330166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.654879 (E_RNA)
where:
Base-Base interactions energy: -1765.575
where: short stacking energy: -738.127
Base-Backbone interact. energy: -0.656
local terms energy: -796.424316
where:
bonds (distance) C4'-P energy: -143.734
bonds (distance) P-C4' energy: -163.501
flat angles C4'-P-C4' energy: -163.250
flat angles P-C4'-P energy: -114.676
tors. eta vs tors. theta energy: -211.263
Dist. restrs. and SS energy: 1.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -2387.404110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.404110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.005006 (E_RNA)
where:
Base-Base interactions energy: -1620.494
where: short stacking energy: -700.173
Base-Backbone interact. energy: -2.022
local terms energy: -767.489295
where:
bonds (distance) C4'-P energy: -156.571
bonds (distance) P-C4' energy: -145.075
flat angles C4'-P-C4' energy: -168.888
flat angles P-C4'-P energy: -87.444
tors. eta vs tors. theta energy: -209.512
Dist. restrs. and SS energy: 2.601 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -2201.795441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.795441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.300256 (E_RNA)
where:
Base-Base interactions energy: -1499.610
where: short stacking energy: -639.780
Base-Backbone interact. energy: 0.339
local terms energy: -705.029064
where:
bonds (distance) C4'-P energy: -150.850
bonds (distance) P-C4' energy: -132.161
flat angles C4'-P-C4' energy: -152.977
flat angles P-C4'-P energy: -91.054
tors. eta vs tors. theta energy: -177.988
Dist. restrs. and SS energy: 2.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -2106.473689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.473689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.369248 (E_RNA)
where:
Base-Base interactions energy: -1393.226
where: short stacking energy: -605.782
Base-Backbone interact. energy: -0.231
local terms energy: -714.912129
where:
bonds (distance) C4'-P energy: -132.730
bonds (distance) P-C4' energy: -144.909
flat angles C4'-P-C4' energy: -169.567
flat angles P-C4'-P energy: -101.954
tors. eta vs tors. theta energy: -165.752
Dist. restrs. and SS energy: 1.896 (S_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: 248
Temperature: 1.250000
Total energy: -2023.254224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.254224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.347936 (E_RNA)
where:
Base-Base interactions energy: -1381.089
where: short stacking energy: -617.539
Base-Backbone interact. energy: -1.889
local terms energy: -643.369814
where:
bonds (distance) C4'-P energy: -137.750
bonds (distance) P-C4' energy: -125.839
flat angles C4'-P-C4' energy: -142.991
flat angles P-C4'-P energy: -76.970
tors. eta vs tors. theta energy: -159.819
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: 9, replica: 3
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -1938.191945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.191945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.520527 (E_RNA)
where:
Base-Base interactions energy: -1295.037
where: short stacking energy: -541.798
Base-Backbone interact. energy: 3.396
local terms energy: -648.879130
where:
bonds (distance) C4'-P energy: -136.082
bonds (distance) P-C4' energy: -132.371
flat angles C4'-P-C4' energy: -138.765
flat angles P-C4'-P energy: -86.434
tors. eta vs tors. theta energy: -155.227
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: 10, replica: 1
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -1857.307824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.307824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.024916 (E_RNA)
where:
Base-Base interactions energy: -1243.457
where: short stacking energy: -526.140
Base-Backbone interact. energy: -0.034
local terms energy: -618.534837
where:
bonds (distance) C4'-P energy: -149.039
bonds (distance) P-C4' energy: -121.132
flat angles C4'-P-C4' energy: -130.974
flat angles P-C4'-P energy: -86.763
tors. eta vs tors. theta energy: -130.627
Dist. restrs. and SS energy: 4.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -2934.312336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2934.312336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2936.346203 (E_RNA)
where:
Base-Base interactions energy: -2047.495
where: short stacking energy: -860.585
Base-Backbone interact. energy: -2.677
local terms energy: -886.174474
where:
bonds (distance) C4'-P energy: -158.889
bonds (distance) P-C4' energy: -169.688
flat angles C4'-P-C4' energy: -190.072
flat angles P-C4'-P energy: -122.271
tors. eta vs tors. theta energy: -245.255
Dist. restrs. and SS energy: 2.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -2779.200812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2779.200812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2780.954686 (E_RNA)
where:
Base-Base interactions energy: -1935.264
where: short stacking energy: -796.317
Base-Backbone interact. energy: -1.098
local terms energy: -844.593092
where:
bonds (distance) C4'-P energy: -154.458
bonds (distance) P-C4' energy: -153.823
flat angles C4'-P-C4' energy: -177.608
flat angles P-C4'-P energy: -130.421
tors. eta vs tors. theta energy: -228.284
Dist. restrs. and SS energy: 1.754 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -2581.211636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.211636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.092501 (E_RNA)
where:
Base-Base interactions energy: -1765.176
where: short stacking energy: -768.232
Base-Backbone interact. energy: -0.750
local terms energy: -817.165897
where:
bonds (distance) C4'-P energy: -137.990
bonds (distance) P-C4' energy: -145.624
flat angles C4'-P-C4' energy: -184.503
flat angles P-C4'-P energy: -119.039
tors. eta vs tors. theta energy: -230.009
Dist. restrs. and SS energy: 1.881 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -2589.044686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.044686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.774255 (E_RNA)
where:
Base-Base interactions energy: -1813.307
where: short stacking energy: -748.221
Base-Backbone interact. energy: -2.134
local terms energy: -775.332542
where:
bonds (distance) C4'-P energy: -145.680
bonds (distance) P-C4' energy: -146.516
flat angles C4'-P-C4' energy: -178.568
flat angles P-C4'-P energy: -95.272
tors. eta vs tors. theta energy: -209.296
Dist. restrs. and SS energy: 1.730 (S_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: 249
Temperature: 1.100000
Total energy: -2341.881277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.881277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.968642 (E_RNA)
where:
Base-Base interactions energy: -1608.847
where: short stacking energy: -684.847
Base-Backbone interact. energy: 3.510
local terms energy: -740.631534
where:
bonds (distance) C4'-P energy: -137.287
bonds (distance) P-C4' energy: -147.328
flat angles C4'-P-C4' energy: -163.506
flat angles P-C4'-P energy: -90.473
tors. eta vs tors. theta energy: -202.037
Dist. restrs. and SS energy: 4.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -2184.303871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.303871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.928781 (E_RNA)
where:
Base-Base interactions energy: -1472.754
where: short stacking energy: -634.949
Base-Backbone interact. energy: 1.612
local terms energy: -718.786771
where:
bonds (distance) C4'-P energy: -135.053
bonds (distance) P-C4' energy: -140.695
flat angles C4'-P-C4' energy: -158.138
flat angles P-C4'-P energy: -117.862
tors. eta vs tors. theta energy: -167.039
Dist. restrs. and SS energy: 5.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -2080.795239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.795239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.146581 (E_RNA)
where:
Base-Base interactions energy: -1419.897
where: short stacking energy: -587.496
Base-Backbone interact. energy: 2.405
local terms energy: -665.654310
where:
bonds (distance) C4'-P energy: -137.283
bonds (distance) P-C4' energy: -131.126
flat angles C4'-P-C4' energy: -134.217
flat angles P-C4'-P energy: -102.309
tors. eta vs tors. theta energy: -160.719
Dist. restrs. and SS energy: 2.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -1994.972688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.972688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.011309 (E_RNA)
where:
Base-Base interactions energy: -1345.197
where: short stacking energy: -576.469
Base-Backbone interact. energy: -3.306
local terms energy: -650.507870
where:
bonds (distance) C4'-P energy: -134.308
bonds (distance) P-C4' energy: -131.506
flat angles C4'-P-C4' energy: -156.323
flat angles P-C4'-P energy: -95.700
tors. eta vs tors. theta energy: -132.670
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: 9, replica: 10
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -1934.158666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.158666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.378793 (E_RNA)
where:
Base-Base interactions energy: -1305.943
where: short stacking energy: -571.077
Base-Backbone interact. energy: -1.046
local terms energy: -632.389789
where:
bonds (distance) C4'-P energy: -119.992
bonds (distance) P-C4' energy: -143.095
flat angles C4'-P-C4' energy: -146.367
flat angles P-C4'-P energy: -83.700
tors. eta vs tors. theta energy: -139.236
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: 10, replica: 1
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -1863.740890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.740890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.582393 (E_RNA)
where:
Base-Base interactions energy: -1269.433
where: short stacking energy: -519.106
Base-Backbone interact. energy: -1.553
local terms energy: -596.596067
where:
bonds (distance) C4'-P energy: -115.093
bonds (distance) P-C4' energy: -133.864
flat angles C4'-P-C4' energy: -130.178
flat angles P-C4'-P energy: -92.112
tors. eta vs tors. theta energy: -125.349
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: 1, replica: 9
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -2927.875150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2927.875150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2928.722021 (E_RNA)
where:
Base-Base interactions energy: -2057.768
where: short stacking energy: -819.815
Base-Backbone interact. energy: 0.501
local terms energy: -871.455310
where:
bonds (distance) C4'-P energy: -159.319
bonds (distance) P-C4' energy: -164.891
flat angles C4'-P-C4' energy: -190.738
flat angles P-C4'-P energy: -115.836
tors. eta vs tors. theta energy: -240.671
Dist. restrs. and SS energy: 0.847 (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: 4
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -2804.836290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2804.836290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.320291 (E_RNA)
where:
Base-Base interactions energy: -1960.216
where: short stacking energy: -802.462
Base-Backbone interact. energy: 5.655
local terms energy: -851.759299
where:
bonds (distance) C4'-P energy: -158.269
bonds (distance) P-C4' energy: -157.505
flat angles C4'-P-C4' energy: -189.711
flat angles P-C4'-P energy: -128.926
tors. eta vs tors. theta energy: -217.347
Dist. restrs. and SS energy: 1.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -2593.978647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.978647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.378728 (E_RNA)
where:
Base-Base interactions energy: -1789.462
where: short stacking energy: -801.201
Base-Backbone interact. energy: -0.240
local terms energy: -805.676706
where:
bonds (distance) C4'-P energy: -137.687
bonds (distance) P-C4' energy: -151.250
flat angles C4'-P-C4' energy: -170.347
flat angles P-C4'-P energy: -108.311
tors. eta vs tors. theta energy: -238.082
Dist. restrs. and SS energy: 1.400 (S_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: 250
Temperature: 1.050000
Total energy: -2537.848403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.848403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.561483 (E_RNA)
where:
Base-Base interactions energy: -1710.793
where: short stacking energy: -746.310
Base-Backbone interact. energy: -4.870
local terms energy: -823.898535
where:
bonds (distance) C4'-P energy: -151.781
bonds (distance) P-C4' energy: -158.515
flat angles C4'-P-C4' energy: -177.267
flat angles P-C4'-P energy: -111.993
tors. eta vs tors. theta energy: -224.343
Dist. restrs. and SS energy: 1.713 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -2404.681674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.681674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.411034 (E_RNA)
where:
Base-Base interactions energy: -1663.736
where: short stacking energy: -716.096
Base-Backbone interact. energy: 3.428
local terms energy: -748.102940
where:
bonds (distance) C4'-P energy: -128.266
bonds (distance) P-C4' energy: -156.262
flat angles C4'-P-C4' energy: -158.308
flat angles P-C4'-P energy: -104.643
tors. eta vs tors. theta energy: -200.623
Dist. restrs. and SS energy: 3.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -2220.494216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.494216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.633595 (E_RNA)
where:
Base-Base interactions energy: -1494.185
where: short stacking energy: -654.278
Base-Backbone interact. energy: -0.620
local terms energy: -727.828300
where:
bonds (distance) C4'-P energy: -136.834
bonds (distance) P-C4' energy: -121.890
flat angles C4'-P-C4' energy: -173.253
flat angles P-C4'-P energy: -115.341
tors. eta vs tors. theta energy: -180.510
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: 7, replica: 8
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -2069.915255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.915255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.659076 (E_RNA)
where:
Base-Base interactions energy: -1388.319
where: short stacking energy: -587.148
Base-Backbone interact. energy: -3.437
local terms energy: -680.903453
where:
bonds (distance) C4'-P energy: -118.861
bonds (distance) P-C4' energy: -157.890
flat angles C4'-P-C4' energy: -174.093
flat angles P-C4'-P energy: -79.126
tors. eta vs tors. theta energy: -150.933
Dist. restrs. and SS energy: 2.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -1975.567603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.567603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.941246 (E_RNA)
where:
Base-Base interactions energy: -1349.900
where: short stacking energy: -560.062
Base-Backbone interact. energy: -2.832
local terms energy: -625.208821
where:
bonds (distance) C4'-P energy: -128.788
bonds (distance) P-C4' energy: -130.174
flat angles C4'-P-C4' energy: -152.297
flat angles P-C4'-P energy: -70.447
tors. eta vs tors. theta energy: -143.502
Dist. restrs. and SS energy: 2.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -1948.534953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.534953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.157238 (E_RNA)
where:
Base-Base interactions energy: -1321.096
where: short stacking energy: -557.638
Base-Backbone interact. energy: -1.408
local terms energy: -628.653299
where:
bonds (distance) C4'-P energy: -128.489
bonds (distance) P-C4' energy: -137.527
flat angles C4'-P-C4' energy: -148.371
flat angles P-C4'-P energy: -69.240
tors. eta vs tors. theta energy: -145.027
Dist. restrs. and SS energy: 2.622 (S_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: 250
Temperature: 1.350000
Total energy: -1888.943844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.943844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.953505 (E_RNA)
where:
Base-Base interactions energy: -1314.595
where: short stacking energy: -561.270
Base-Backbone interact. energy: 0.993
local terms energy: -580.351449
where:
bonds (distance) C4'-P energy: -100.694
bonds (distance) P-C4' energy: -129.676
flat angles C4'-P-C4' energy: -139.271
flat angles P-C4'-P energy: -63.420
tors. eta vs tors. theta energy: -147.291
Dist. restrs. and SS energy: 5.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -2953.231334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2953.231334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2955.378678 (E_RNA)
where:
Base-Base interactions energy: -2051.335
where: short stacking energy: -881.366
Base-Backbone interact. energy: -0.674
local terms energy: -903.370184
where:
bonds (distance) C4'-P energy: -171.568
bonds (distance) P-C4' energy: -158.176
flat angles C4'-P-C4' energy: -196.207
flat angles P-C4'-P energy: -130.572
tors. eta vs tors. theta energy: -246.847
Dist. restrs. and SS energy: 2.147 (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: 4
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -2818.847540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.847540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2820.781291 (E_RNA)
where:
Base-Base interactions energy: -1957.878
where: short stacking energy: -805.313
Base-Backbone interact. energy: -3.615
local terms energy: -859.287992
where:
bonds (distance) C4'-P energy: -145.688
bonds (distance) P-C4' energy: -163.828
flat angles C4'-P-C4' energy: -178.989
flat angles P-C4'-P energy: -135.120
tors. eta vs tors. theta energy: -235.662
Dist. restrs. and SS energy: 1.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -2588.363731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.363731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.027218 (E_RNA)
where:
Base-Base interactions energy: -1756.437
where: short stacking energy: -770.146
Base-Backbone interact. energy: -1.239
local terms energy: -833.350737
where:
bonds (distance) C4'-P energy: -154.951
bonds (distance) P-C4' energy: -137.074
flat angles C4'-P-C4' energy: -191.764
flat angles P-C4'-P energy: -118.753
tors. eta vs tors. theta energy: -230.809
Dist. restrs. and SS energy: 2.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -2522.172569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.172569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.070802 (E_RNA)
where:
Base-Base interactions energy: -1757.674
where: short stacking energy: -763.075
Base-Backbone interact. energy: 2.429
local terms energy: -768.825675
where:
bonds (distance) C4'-P energy: -138.417
bonds (distance) P-C4' energy: -127.907
flat angles C4'-P-C4' energy: -173.674
flat angles P-C4'-P energy: -110.326
tors. eta vs tors. theta energy: -218.502
Dist. restrs. and SS energy: 1.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -2416.402479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.402479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.150734 (E_RNA)
where:
Base-Base interactions energy: -1668.409
where: short stacking energy: -724.767
Base-Backbone interact. energy: 9.507
local terms energy: -760.249309
where:
bonds (distance) C4'-P energy: -135.252
bonds (distance) P-C4' energy: -131.216
flat angles C4'-P-C4' energy: -173.411
flat angles P-C4'-P energy: -115.820
tors. eta vs tors. theta energy: -204.550
Dist. restrs. and SS energy: 2.748 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -2211.317334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.317334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.583897 (E_RNA)
where:
Base-Base interactions energy: -1486.008
where: short stacking energy: -640.482
Base-Backbone interact. energy: -1.270
local terms energy: -726.305995
where:
bonds (distance) C4'-P energy: -144.956
bonds (distance) P-C4' energy: -138.977
flat angles C4'-P-C4' energy: -155.346
flat angles P-C4'-P energy: -104.290
tors. eta vs tors. theta energy: -182.737
Dist. restrs. and SS energy: 2.267 (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: 8
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -2075.268883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.268883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.104951 (E_RNA)
where:
Base-Base interactions energy: -1413.984
where: short stacking energy: -607.868
Base-Backbone interact. energy: 0.212
local terms energy: -663.332846
where:
bonds (distance) C4'-P energy: -133.245
bonds (distance) P-C4' energy: -112.402
flat angles C4'-P-C4' energy: -154.046
flat angles P-C4'-P energy: -97.566
tors. eta vs tors. theta energy: -166.074
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: 8, replica: 1
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -1964.834158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.834158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.593861 (E_RNA)
where:
Base-Base interactions energy: -1338.518
where: short stacking energy: -536.957
Base-Backbone interact. energy: 0.427
local terms energy: -628.503211
where:
bonds (distance) C4'-P energy: -119.820
bonds (distance) P-C4' energy: -150.814
flat angles C4'-P-C4' energy: -145.043
flat angles P-C4'-P energy: -85.412
tors. eta vs tors. theta energy: -127.413
Dist. restrs. and SS energy: 1.760 (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: 3
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -1933.914356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.914356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.036083 (E_RNA)
where:
Base-Base interactions energy: -1312.540
where: short stacking energy: -560.681
Base-Backbone interact. energy: -1.243
local terms energy: -623.252591
where:
bonds (distance) C4'-P energy: -123.932
bonds (distance) P-C4' energy: -132.787
flat angles C4'-P-C4' energy: -141.344
flat angles P-C4'-P energy: -89.737
tors. eta vs tors. theta energy: -135.453
Dist. restrs. and SS energy: 3.122 (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: 10
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -1864.542620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.542620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.646839 (E_RNA)
where:
Base-Base interactions energy: -1260.507
where: short stacking energy: -536.729
Base-Backbone interact. energy: 1.659
local terms energy: -609.799467
where:
bonds (distance) C4'-P energy: -144.742
bonds (distance) P-C4' energy: -123.886
flat angles C4'-P-C4' energy: -132.501
flat angles P-C4'-P energy: -87.089
tors. eta vs tors. theta energy: -121.581
Dist. restrs. and SS energy: 4.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -2874.436616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2874.436616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2876.794499 (E_RNA)
where:
Base-Base interactions energy: -2037.931
where: short stacking energy: -832.001
Base-Backbone interact. energy: 3.527
local terms energy: -842.390484
where:
bonds (distance) C4'-P energy: -147.028
bonds (distance) P-C4' energy: -158.002
flat angles C4'-P-C4' energy: -180.722
flat angles P-C4'-P energy: -118.937
tors. eta vs tors. theta energy: -237.701
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: 2, replica: 9
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -2868.502740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2868.502740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2870.209410 (E_RNA)
where:
Base-Base interactions energy: -2019.638
where: short stacking energy: -830.334
Base-Backbone interact. energy: 0.594
local terms energy: -851.165544
where:
bonds (distance) C4'-P energy: -156.214
bonds (distance) P-C4' energy: -150.642
flat angles C4'-P-C4' energy: -186.438
flat angles P-C4'-P energy: -121.106
tors. eta vs tors. theta energy: -236.766
Dist. restrs. and SS energy: 1.707 (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: 6
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -2566.469484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.469484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.536812 (E_RNA)
where:
Base-Base interactions energy: -1746.429
where: short stacking energy: -752.580
Base-Backbone interact. energy: -0.695
local terms energy: -820.412927
where:
bonds (distance) C4'-P energy: -151.483
bonds (distance) P-C4' energy: -149.246
flat angles C4'-P-C4' energy: -180.433
flat angles P-C4'-P energy: -119.442
tors. eta vs tors. theta energy: -219.809
Dist. restrs. and SS energy: 1.067 (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: 5
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -2497.645470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.645470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.346342 (E_RNA)
where:
Base-Base interactions energy: -1764.395
where: short stacking energy: -726.932
Base-Backbone interact. energy: -0.764
local terms energy: -734.187407
where:
bonds (distance) C4'-P energy: -128.608
bonds (distance) P-C4' energy: -137.527
flat angles C4'-P-C4' energy: -162.236
flat angles P-C4'-P energy: -102.044
tors. eta vs tors. theta energy: -203.771
Dist. restrs. and SS energy: 1.701 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -2367.156298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.156298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.419857 (E_RNA)
where:
Base-Base interactions energy: -1645.963
where: short stacking energy: -708.608
Base-Backbone interact. energy: -3.802
local terms energy: -718.655114
where:
bonds (distance) C4'-P energy: -134.661
bonds (distance) P-C4' energy: -134.509
flat angles C4'-P-C4' energy: -148.429
flat angles P-C4'-P energy: -105.580
tors. eta vs tors. theta energy: -195.476
Dist. restrs. and SS energy: 1.264 (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: 2
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -2185.349968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.349968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.204715 (E_RNA)
where:
Base-Base interactions energy: -1468.018
where: short stacking energy: -639.773
Base-Backbone interact. energy: -2.567
local terms energy: -716.619345
where:
bonds (distance) C4'-P energy: -134.070
bonds (distance) P-C4' energy: -152.211
flat angles C4'-P-C4' energy: -161.764
flat angles P-C4'-P energy: -101.216
tors. eta vs tors. theta energy: -167.358
Dist. restrs. and SS energy: 1.855 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -2065.973213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.973213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.122069 (E_RNA)
where:
Base-Base interactions energy: -1372.113
where: short stacking energy: -575.891
Base-Backbone interact. energy: 7.066
local terms energy: -703.074775
where:
bonds (distance) C4'-P energy: -145.516
bonds (distance) P-C4' energy: -148.468
flat angles C4'-P-C4' energy: -147.191
flat angles P-C4'-P energy: -99.080
tors. eta vs tors. theta energy: -162.820
Dist. restrs. and SS energy: 2.149 (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: 1
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -1990.572635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.572635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.302004 (E_RNA)
where:
Base-Base interactions energy: -1349.643
where: short stacking energy: -562.218
Base-Backbone interact. energy: -3.843
local terms energy: -638.815970
where:
bonds (distance) C4'-P energy: -128.339
bonds (distance) P-C4' energy: -142.059
flat angles C4'-P-C4' energy: -137.011
flat angles P-C4'-P energy: -82.110
tors. eta vs tors. theta energy: -149.298
Dist. restrs. and SS energy: 1.729 (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: 3
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -1934.584338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.584338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.371270 (E_RNA)
where:
Base-Base interactions energy: -1338.893
where: short stacking energy: -565.210
Base-Backbone interact. energy: 3.526
local terms energy: -601.004455
where:
bonds (distance) C4'-P energy: -125.205
bonds (distance) P-C4' energy: -133.645
flat angles C4'-P-C4' energy: -134.460
flat angles P-C4'-P energy: -75.944
tors. eta vs tors. theta energy: -131.750
Dist. restrs. and SS energy: 1.787 (S_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: 252
Temperature: 1.350000
Total energy: -1880.927227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.927227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.780207 (E_RNA)
where:
Base-Base interactions energy: -1261.265
where: short stacking energy: -536.201
Base-Backbone interact. energy: -3.484
local terms energy: -619.031087
where:
bonds (distance) C4'-P energy: -137.521
bonds (distance) P-C4' energy: -118.749
flat angles C4'-P-C4' energy: -155.051
flat angles P-C4'-P energy: -78.902
tors. eta vs tors. theta energy: -128.808
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: 1, replica: 4
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -2857.627046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2857.627046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2858.523800 (E_RNA)
where:
Base-Base interactions energy: -2011.455
where: short stacking energy: -813.141
Base-Backbone interact. energy: -0.439
local terms energy: -846.629738
where:
bonds (distance) C4'-P energy: -154.938
bonds (distance) P-C4' energy: -153.409
flat angles C4'-P-C4' energy: -185.524
flat angles P-C4'-P energy: -113.482
tors. eta vs tors. theta energy: -239.276
Dist. restrs. and SS energy: 0.897 (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: 9
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -2915.776721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2915.776721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2918.636060 (E_RNA)
where:
Base-Base interactions energy: -2035.138
where: short stacking energy: -826.463
Base-Backbone interact. energy: -1.830
local terms energy: -881.668481
where:
bonds (distance) C4'-P energy: -164.006
bonds (distance) P-C4' energy: -156.031
flat angles C4'-P-C4' energy: -186.038
flat angles P-C4'-P energy: -131.973
tors. eta vs tors. theta energy: -243.622
Dist. restrs. and SS energy: 2.859 (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: 6
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -2590.423307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.423307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.100481 (E_RNA)
where:
Base-Base interactions energy: -1751.511
where: short stacking energy: -763.230
Base-Backbone interact. energy: -1.634
local terms energy: -838.956143
where:
bonds (distance) C4'-P energy: -155.090
bonds (distance) P-C4' energy: -166.176
flat angles C4'-P-C4' energy: -177.362
flat angles P-C4'-P energy: -120.085
tors. eta vs tors. theta energy: -220.243
Dist. restrs. and SS energy: 1.677 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -2491.647943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.647943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.548176 (E_RNA)
where:
Base-Base interactions energy: -1699.439
where: short stacking energy: -740.236
Base-Backbone interact. energy: 0.373
local terms energy: -793.481711
where:
bonds (distance) C4'-P energy: -142.621
bonds (distance) P-C4' energy: -144.232
flat angles C4'-P-C4' energy: -171.640
flat angles P-C4'-P energy: -114.888
tors. eta vs tors. theta energy: -220.101
Dist. restrs. and SS energy: 0.900 (S_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: 253
Temperature: 1.100000
Total energy: -2376.665591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.665591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.833646 (E_RNA)
where:
Base-Base interactions energy: -1627.406
where: short stacking energy: -681.120
Base-Backbone interact. energy: -1.218
local terms energy: -749.209025
where:
bonds (distance) C4'-P energy: -139.949
bonds (distance) P-C4' energy: -141.862
flat angles C4'-P-C4' energy: -152.098
flat angles P-C4'-P energy: -115.899
tors. eta vs tors. theta energy: -199.400
Dist. restrs. and SS energy: 1.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -2226.258259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.258259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.173778 (E_RNA)
where:
Base-Base interactions energy: -1511.043
where: short stacking energy: -645.339
Base-Backbone interact. energy: 1.878
local terms energy: -720.008749
where:
bonds (distance) C4'-P energy: -140.257
bonds (distance) P-C4' energy: -134.780
flat angles C4'-P-C4' energy: -172.886
flat angles P-C4'-P energy: -86.406
tors. eta vs tors. theta energy: -185.680
Dist. restrs. and SS energy: 2.916 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -2071.045398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.045398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.557347 (E_RNA)
where:
Base-Base interactions energy: -1373.162
where: short stacking energy: -608.707
Base-Backbone interact. energy: -1.267
local terms energy: -699.128205
where:
bonds (distance) C4'-P energy: -150.011
bonds (distance) P-C4' energy: -151.403
flat angles C4'-P-C4' energy: -141.365
flat angles P-C4'-P energy: -103.597
tors. eta vs tors. theta energy: -152.752
Dist. restrs. and SS energy: 2.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -2015.500693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.500693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.964564 (E_RNA)
where:
Base-Base interactions energy: -1370.056
where: short stacking energy: -599.717
Base-Backbone interact. energy: 0.975
local terms energy: -649.884043
where:
bonds (distance) C4'-P energy: -96.844
bonds (distance) P-C4' energy: -135.260
flat angles C4'-P-C4' energy: -148.807
flat angles P-C4'-P energy: -104.763
tors. eta vs tors. theta energy: -164.210
Dist. restrs. and SS energy: 3.464 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -1934.415500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.415500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.962802 (E_RNA)
where:
Base-Base interactions energy: -1317.622
where: short stacking energy: -568.806
Base-Backbone interact. energy: -2.030
local terms energy: -617.310692
where:
bonds (distance) C4'-P energy: -116.650
bonds (distance) P-C4' energy: -125.937
flat angles C4'-P-C4' energy: -144.440
flat angles P-C4'-P energy: -82.750
tors. eta vs tors. theta energy: -147.534
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: 10, replica: 10
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -1873.934365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.934365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.131490 (E_RNA)
where:
Base-Base interactions energy: -1297.784
where: short stacking energy: -526.105
Base-Backbone interact. energy: 6.458
local terms energy: -587.804847
where:
bonds (distance) C4'-P energy: -113.287
bonds (distance) P-C4' energy: -110.754
flat angles C4'-P-C4' energy: -135.648
flat angles P-C4'-P energy: -94.913
tors. eta vs tors. theta energy: -133.203
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: 1, replica: 4
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -2908.279553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2908.279553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2910.840634 (E_RNA)
where:
Base-Base interactions energy: -2013.438
where: short stacking energy: -855.468
Base-Backbone interact. energy: -3.509
local terms energy: -893.893880
where:
bonds (distance) C4'-P energy: -163.409
bonds (distance) P-C4' energy: -175.032
flat angles C4'-P-C4' energy: -190.386
flat angles P-C4'-P energy: -127.716
tors. eta vs tors. theta energy: -237.351
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: 2, replica: 9
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -2866.709457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2866.709457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2869.748826 (E_RNA)
where:
Base-Base interactions energy: -2027.391
where: short stacking energy: -822.003
Base-Backbone interact. energy: 0.005
local terms energy: -842.363196
where:
bonds (distance) C4'-P energy: -153.119
bonds (distance) P-C4' energy: -148.797
flat angles C4'-P-C4' energy: -176.747
flat angles P-C4'-P energy: -122.637
tors. eta vs tors. theta energy: -241.062
Dist. restrs. and SS energy: 3.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -2622.439909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.439909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.849189 (E_RNA)
where:
Base-Base interactions energy: -1767.864
where: short stacking energy: -776.213
Base-Backbone interact. energy: -4.191
local terms energy: -851.794065
where:
bonds (distance) C4'-P energy: -146.097
bonds (distance) P-C4' energy: -164.969
flat angles C4'-P-C4' energy: -187.090
flat angles P-C4'-P energy: -121.890
tors. eta vs tors. theta energy: -231.748
Dist. restrs. and SS energy: 1.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -2533.882341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.882341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.038814 (E_RNA)
where:
Base-Base interactions energy: -1758.158
where: short stacking energy: -730.047
Base-Backbone interact. energy: 1.621
local terms energy: -778.502237
where:
bonds (distance) C4'-P energy: -147.843
bonds (distance) P-C4' energy: -148.242
flat angles C4'-P-C4' energy: -165.418
flat angles P-C4'-P energy: -105.912
tors. eta vs tors. theta energy: -211.087
Dist. restrs. and SS energy: 1.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -2346.732021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.732021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.537765 (E_RNA)
where:
Base-Base interactions energy: -1574.901
where: short stacking energy: -697.409
Base-Backbone interact. energy: -4.366
local terms energy: -769.271521
where:
bonds (distance) C4'-P energy: -141.898
bonds (distance) P-C4' energy: -136.195
flat angles C4'-P-C4' energy: -173.472
flat angles P-C4'-P energy: -111.113
tors. eta vs tors. theta energy: -206.593
Dist. restrs. and SS energy: 1.806 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -2181.192750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.192750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.484280 (E_RNA)
where:
Base-Base interactions energy: -1470.446
where: short stacking energy: -639.275
Base-Backbone interact. energy: -2.619
local terms energy: -710.419071
where:
bonds (distance) C4'-P energy: -146.097
bonds (distance) P-C4' energy: -146.334
flat angles C4'-P-C4' energy: -146.529
flat angles P-C4'-P energy: -86.191
tors. eta vs tors. theta energy: -185.268
Dist. restrs. and SS energy: 2.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -2047.724155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.724155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.933602 (E_RNA)
where:
Base-Base interactions energy: -1372.668
where: short stacking energy: -573.029
Base-Backbone interact. energy: -0.688
local terms energy: -675.576920
where:
bonds (distance) C4'-P energy: -135.632
bonds (distance) P-C4' energy: -135.601
flat angles C4'-P-C4' energy: -159.812
flat angles P-C4'-P energy: -94.606
tors. eta vs tors. theta energy: -149.926
Dist. restrs. and SS energy: 1.209 (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: 3
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -1992.442672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.442672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.666667 (E_RNA)
where:
Base-Base interactions energy: -1348.688
where: short stacking energy: -578.225
Base-Backbone interact. energy: 3.060
local terms energy: -650.038442
where:
bonds (distance) C4'-P energy: -129.215
bonds (distance) P-C4' energy: -139.168
flat angles C4'-P-C4' energy: -130.597
flat angles P-C4'-P energy: -101.881
tors. eta vs tors. theta energy: -149.177
Dist. restrs. and SS energy: 3.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -1916.590238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.590238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.774621 (E_RNA)
where:
Base-Base interactions energy: -1297.265
where: short stacking energy: -561.348
Base-Backbone interact. energy: 1.795
local terms energy: -625.303900
where:
bonds (distance) C4'-P energy: -110.199
bonds (distance) P-C4' energy: -141.922
flat angles C4'-P-C4' energy: -138.695
flat angles P-C4'-P energy: -84.369
tors. eta vs tors. theta energy: -150.118
Dist. restrs. and SS energy: 4.184 (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: 10
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -1847.221287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.221287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.590914 (E_RNA)
where:
Base-Base interactions energy: -1275.673
where: short stacking energy: -524.443
Base-Backbone interact. energy: 0.964
local terms energy: -574.881959
where:
bonds (distance) C4'-P energy: -128.080
bonds (distance) P-C4' energy: -126.966
flat angles C4'-P-C4' energy: -134.207
flat angles P-C4'-P energy: -52.627
tors. eta vs tors. theta energy: -133.001
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: 1, replica: 4
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -2890.485431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2890.485431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2892.391208 (E_RNA)
where:
Base-Base interactions energy: -2013.825
where: short stacking energy: -848.978
Base-Backbone interact. energy: -2.955
local terms energy: -875.611517
where:
bonds (distance) C4'-P energy: -159.512
bonds (distance) P-C4' energy: -152.551
flat angles C4'-P-C4' energy: -185.896
flat angles P-C4'-P energy: -131.234
tors. eta vs tors. theta energy: -246.420
Dist. restrs. and SS energy: 1.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -2881.134053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2881.134053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2883.190118 (E_RNA)
where:
Base-Base interactions energy: -2011.819
where: short stacking energy: -818.139
Base-Backbone interact. energy: -7.180
local terms energy: -864.191129
where:
bonds (distance) C4'-P energy: -141.291
bonds (distance) P-C4' energy: -166.175
flat angles C4'-P-C4' energy: -185.960
flat angles P-C4'-P energy: -124.700
tors. eta vs tors. theta energy: -246.066
Dist. restrs. and SS energy: 2.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -2608.799014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.799014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.976996 (E_RNA)
where:
Base-Base interactions energy: -1783.147
where: short stacking energy: -769.400
Base-Backbone interact. energy: -1.352
local terms energy: -825.478796
where:
bonds (distance) C4'-P energy: -150.762
bonds (distance) P-C4' energy: -148.440
flat angles C4'-P-C4' energy: -188.935
flat angles P-C4'-P energy: -91.461
tors. eta vs tors. theta energy: -245.881
Dist. restrs. and SS energy: 1.178 (S_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: 255
Temperature: 1.050000
Total energy: -2601.295617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.295617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.565383 (E_RNA)
where:
Base-Base interactions energy: -1794.254
where: short stacking energy: -783.303
Base-Backbone interact. energy: 2.121
local terms energy: -812.431657
where:
bonds (distance) C4'-P energy: -143.631
bonds (distance) P-C4' energy: -150.398
flat angles C4'-P-C4' energy: -171.586
flat angles P-C4'-P energy: -129.013
tors. eta vs tors. theta energy: -217.804
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: 5, replica: 7
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -2331.646135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.646135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.571170 (E_RNA)
where:
Base-Base interactions energy: -1605.719
where: short stacking energy: -699.284
Base-Backbone interact. energy: -1.333
local terms energy: -726.518733
where:
bonds (distance) C4'-P energy: -137.065
bonds (distance) P-C4' energy: -139.218
flat angles C4'-P-C4' energy: -162.073
flat angles P-C4'-P energy: -96.481
tors. eta vs tors. theta energy: -191.682
Dist. restrs. and SS energy: 1.925 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -2160.628985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.628985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.187382 (E_RNA)
where:
Base-Base interactions energy: -1435.068
where: short stacking energy: -635.682
Base-Backbone interact. energy: -3.027
local terms energy: -724.093083
where:
bonds (distance) C4'-P energy: -136.549
bonds (distance) P-C4' energy: -146.239
flat angles C4'-P-C4' energy: -171.553
flat angles P-C4'-P energy: -105.723
tors. eta vs tors. theta energy: -164.029
Dist. restrs. and SS energy: 1.558 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -2139.094147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.094147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.625233 (E_RNA)
where:
Base-Base interactions energy: -1440.898
where: short stacking energy: -613.165
Base-Backbone interact. energy: 3.072
local terms energy: -702.799471
where:
bonds (distance) C4'-P energy: -132.604
bonds (distance) P-C4' energy: -152.396
flat angles C4'-P-C4' energy: -154.311
flat angles P-C4'-P energy: -103.633
tors. eta vs tors. theta energy: -159.856
Dist. restrs. and SS energy: 1.531 (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: 3
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -2000.266010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.266010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.752970 (E_RNA)
where:
Base-Base interactions energy: -1358.590
where: short stacking energy: -565.862
Base-Backbone interact. energy: 3.948
local terms energy: -649.110970
where:
bonds (distance) C4'-P energy: -123.342
bonds (distance) P-C4' energy: -151.557
flat angles C4'-P-C4' energy: -144.909
flat angles P-C4'-P energy: -81.746
tors. eta vs tors. theta energy: -147.556
Dist. restrs. and SS energy: 3.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -1961.509034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.509034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.537113 (E_RNA)
where:
Base-Base interactions energy: -1325.280
where: short stacking energy: -552.099
Base-Backbone interact. energy: -1.529
local terms energy: -636.727796
where:
bonds (distance) C4'-P energy: -127.250
bonds (distance) P-C4' energy: -138.962
flat angles C4'-P-C4' energy: -143.646
flat angles P-C4'-P energy: -79.658
tors. eta vs tors. theta energy: -147.212
Dist. restrs. and SS energy: 2.028 (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: 10
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -1851.029381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.029381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.374219 (E_RNA)
where:
Base-Base interactions energy: -1289.143
where: short stacking energy: -555.121
Base-Backbone interact. energy: -1.381
local terms energy: -563.850271
where:
bonds (distance) C4'-P energy: -120.656
bonds (distance) P-C4' energy: -118.016
flat angles C4'-P-C4' energy: -123.004
flat angles P-C4'-P energy: -77.176
tors. eta vs tors. theta energy: -124.998
Dist. restrs. and SS energy: 3.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -2950.893746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2950.893746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2953.067603 (E_RNA)
where:
Base-Base interactions energy: -2060.190
where: short stacking energy: -853.128
Base-Backbone interact. energy: 10.482
local terms energy: -903.360002
where:
bonds (distance) C4'-P energy: -170.866
bonds (distance) P-C4' energy: -166.602
flat angles C4'-P-C4' energy: -193.274
flat angles P-C4'-P energy: -124.194
tors. eta vs tors. theta energy: -248.424
Dist. restrs. and SS energy: 2.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -2811.523003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.523003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.226250 (E_RNA)
where:
Base-Base interactions energy: -1974.503
where: short stacking energy: -818.041
Base-Backbone interact. energy: -0.540
local terms energy: -837.182976
where:
bonds (distance) C4'-P energy: -146.496
bonds (distance) P-C4' energy: -158.790
flat angles C4'-P-C4' energy: -169.506
flat angles P-C4'-P energy: -122.008
tors. eta vs tors. theta energy: -240.383
Dist. restrs. and SS energy: 0.703 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -2587.483332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.483332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.914044 (E_RNA)
where:
Base-Base interactions energy: -1734.373
where: short stacking energy: -754.642
Base-Backbone interact. energy: -2.227
local terms energy: -852.313288
where:
bonds (distance) C4'-P energy: -155.138
bonds (distance) P-C4' energy: -151.498
flat angles C4'-P-C4' energy: -185.016
flat angles P-C4'-P energy: -132.088
tors. eta vs tors. theta energy: -228.574
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: 256
Temperature: 1.050000
Total energy: -2550.616524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.616524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.996460 (E_RNA)
where:
Base-Base interactions energy: -1748.261
where: short stacking energy: -745.401
Base-Backbone interact. energy: -1.780
local terms energy: -802.955431
where:
bonds (distance) C4'-P energy: -145.215
bonds (distance) P-C4' energy: -152.964
flat angles C4'-P-C4' energy: -175.013
flat angles P-C4'-P energy: -119.319
tors. eta vs tors. theta energy: -210.444
Dist. restrs. and SS energy: 2.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -2360.110105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.110105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.542358 (E_RNA)
where:
Base-Base interactions energy: -1595.521
where: short stacking energy: -710.323
Base-Backbone interact. energy: 5.459
local terms energy: -773.480003
where:
bonds (distance) C4'-P energy: -153.979
bonds (distance) P-C4' energy: -129.368
flat angles C4'-P-C4' energy: -163.759
flat angles P-C4'-P energy: -117.273
tors. eta vs tors. theta energy: -209.101
Dist. restrs. and SS energy: 3.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -2176.865137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.865137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.976428 (E_RNA)
where:
Base-Base interactions energy: -1485.343
where: short stacking energy: -650.741
Base-Backbone interact. energy: -1.468
local terms energy: -693.165499
where:
bonds (distance) C4'-P energy: -133.540
bonds (distance) P-C4' energy: -146.467
flat angles C4'-P-C4' energy: -129.976
flat angles P-C4'-P energy: -100.429
tors. eta vs tors. theta energy: -182.754
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: 7, replica: 8
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -2121.762102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.762102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.291533 (E_RNA)
where:
Base-Base interactions energy: -1409.150
where: short stacking energy: -617.030
Base-Backbone interact. energy: -0.197
local terms energy: -713.944153
where:
bonds (distance) C4'-P energy: -136.705
bonds (distance) P-C4' energy: -152.106
flat angles C4'-P-C4' energy: -159.754
flat angles P-C4'-P energy: -94.088
tors. eta vs tors. theta energy: -171.291
Dist. restrs. and SS energy: 1.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -2041.766433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.766433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.012449 (E_RNA)
where:
Base-Base interactions energy: -1368.399
where: short stacking energy: -601.784
Base-Backbone interact. energy: 0.213
local terms energy: -675.826475
where:
bonds (distance) C4'-P energy: -106.193
bonds (distance) P-C4' energy: -131.255
flat angles C4'-P-C4' energy: -152.340
flat angles P-C4'-P energy: -122.297
tors. eta vs tors. theta energy: -163.741
Dist. restrs. and SS energy: 2.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -1938.717020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.717020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.063636 (E_RNA)
where:
Base-Base interactions energy: -1303.571
where: short stacking energy: -554.579
Base-Backbone interact. energy: 0.995
local terms energy: -639.487830
where:
bonds (distance) C4'-P energy: -118.935
bonds (distance) P-C4' energy: -115.039
flat angles C4'-P-C4' energy: -137.884
flat angles P-C4'-P energy: -92.758
tors. eta vs tors. theta energy: -174.871
Dist. restrs. and SS energy: 3.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -1892.587716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.587716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.129203 (E_RNA)
where:
Base-Base interactions energy: -1281.891
where: short stacking energy: -535.783
Base-Backbone interact. energy: -2.235
local terms energy: -612.003070
where:
bonds (distance) C4'-P energy: -127.471
bonds (distance) P-C4' energy: -122.035
flat angles C4'-P-C4' energy: -147.589
flat angles P-C4'-P energy: -87.486
tors. eta vs tors. theta energy: -127.422
Dist. restrs. and SS energy: 3.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -2949.751317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2949.751317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2950.896522 (E_RNA)
where:
Base-Base interactions energy: -2077.668
where: short stacking energy: -867.890
Base-Backbone interact. energy: 0.796
local terms energy: -874.024505
where:
bonds (distance) C4'-P energy: -155.461
bonds (distance) P-C4' energy: -157.410
flat angles C4'-P-C4' energy: -186.732
flat angles P-C4'-P energy: -116.071
tors. eta vs tors. theta energy: -258.351
Dist. restrs. and SS energy: 1.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -2852.579926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2852.579926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2854.630646 (E_RNA)
where:
Base-Base interactions energy: -1995.404
where: short stacking energy: -817.490
Base-Backbone interact. energy: -4.353
local terms energy: -854.873250
where:
bonds (distance) C4'-P energy: -147.303
bonds (distance) P-C4' energy: -162.629
flat angles C4'-P-C4' energy: -183.856
flat angles P-C4'-P energy: -122.193
tors. eta vs tors. theta energy: -238.892
Dist. restrs. and SS energy: 2.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -2602.534236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.534236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.919048 (E_RNA)
where:
Base-Base interactions energy: -1782.219
where: short stacking energy: -759.978
Base-Backbone interact. energy: -1.794
local terms energy: -819.906016
where:
bonds (distance) C4'-P energy: -141.099
bonds (distance) P-C4' energy: -163.927
flat angles C4'-P-C4' energy: -180.193
flat angles P-C4'-P energy: -108.359
tors. eta vs tors. theta energy: -226.328
Dist. restrs. and SS energy: 1.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -2547.205766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.205766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.920388 (E_RNA)
where:
Base-Base interactions energy: -1792.928
where: short stacking energy: -780.666
Base-Backbone interact. energy: -6.368
local terms energy: -750.624339
where:
bonds (distance) C4'-P energy: -135.700
bonds (distance) P-C4' energy: -132.274
flat angles C4'-P-C4' energy: -170.638
flat angles P-C4'-P energy: -102.477
tors. eta vs tors. theta energy: -209.535
Dist. restrs. and SS energy: 2.715 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -2330.652279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.652279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.577190 (E_RNA)
where:
Base-Base interactions energy: -1580.804
where: short stacking energy: -684.150
Base-Backbone interact. energy: -2.753
local terms energy: -751.020552
where:
bonds (distance) C4'-P energy: -134.413
bonds (distance) P-C4' energy: -151.098
flat angles C4'-P-C4' energy: -166.794
flat angles P-C4'-P energy: -95.759
tors. eta vs tors. theta energy: -202.957
Dist. restrs. and SS energy: 3.925 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -2146.146271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.146271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.601098 (E_RNA)
where:
Base-Base interactions energy: -1433.285
where: short stacking energy: -620.527
Base-Backbone interact. energy: 0.137
local terms energy: -715.452551
where:
bonds (distance) C4'-P energy: -143.646
bonds (distance) P-C4' energy: -145.700
flat angles C4'-P-C4' energy: -144.438
flat angles P-C4'-P energy: -113.427
tors. eta vs tors. theta energy: -168.241
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: 7, replica: 8
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -2125.377673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.377673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.903039 (E_RNA)
where:
Base-Base interactions energy: -1433.557
where: short stacking energy: -610.283
Base-Backbone interact. energy: -1.938
local terms energy: -692.407951
where:
bonds (distance) C4'-P energy: -140.318
bonds (distance) P-C4' energy: -146.527
flat angles C4'-P-C4' energy: -146.351
flat angles P-C4'-P energy: -95.302
tors. eta vs tors. theta energy: -163.910
Dist. restrs. and SS energy: 2.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -1987.640601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.640601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.439376 (E_RNA)
where:
Base-Base interactions energy: -1319.105
where: short stacking energy: -575.447
Base-Backbone interact. energy: -2.698
local terms energy: -668.636115
where:
bonds (distance) C4'-P energy: -131.685
bonds (distance) P-C4' energy: -140.206
flat angles C4'-P-C4' energy: -137.337
flat angles P-C4'-P energy: -101.627
tors. eta vs tors. theta energy: -157.781
Dist. restrs. and SS energy: 2.799 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -1951.375783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.375783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.648508 (E_RNA)
where:
Base-Base interactions energy: -1316.674
where: short stacking energy: -577.481
Base-Backbone interact. energy: -0.889
local terms energy: -639.085500
where:
bonds (distance) C4'-P energy: -143.374
bonds (distance) P-C4' energy: -140.969
flat angles C4'-P-C4' energy: -140.546
flat angles P-C4'-P energy: -74.303
tors. eta vs tors. theta energy: -139.893
Dist. restrs. and SS energy: 5.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -1857.811176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.811176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.388448 (E_RNA)
where:
Base-Base interactions energy: -1248.374
where: short stacking energy: -531.710
Base-Backbone interact. energy: 4.635
local terms energy: -616.650138
where:
bonds (distance) C4'-P energy: -134.608
bonds (distance) P-C4' energy: -140.562
flat angles C4'-P-C4' energy: -149.616
flat angles P-C4'-P energy: -70.490
tors. eta vs tors. theta energy: -121.375
Dist. restrs. and SS energy: 2.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -2996.509085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2996.509085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2997.788274 (E_RNA)
where:
Base-Base interactions energy: -2085.746
where: short stacking energy: -868.043
Base-Backbone interact. energy: 1.530
local terms energy: -913.572056
where:
bonds (distance) C4'-P energy: -161.221
bonds (distance) P-C4' energy: -170.334
flat angles C4'-P-C4' energy: -185.522
flat angles P-C4'-P energy: -135.235
tors. eta vs tors. theta energy: -261.259
Dist. restrs. and SS energy: 1.279 (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: 4
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -2830.439862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2830.439862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2831.947567 (E_RNA)
where:
Base-Base interactions energy: -1925.412
where: short stacking energy: -802.520
Base-Backbone interact. energy: -3.664
local terms energy: -902.872204
where:
bonds (distance) C4'-P energy: -174.142
bonds (distance) P-C4' energy: -176.256
flat angles C4'-P-C4' energy: -182.515
flat angles P-C4'-P energy: -129.929
tors. eta vs tors. theta energy: -240.029
Dist. restrs. and SS energy: 1.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -2596.323780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.323780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.727504 (E_RNA)
where:
Base-Base interactions energy: -1758.868
where: short stacking energy: -763.187
Base-Backbone interact. energy: -1.709
local terms energy: -837.150723
where:
bonds (distance) C4'-P energy: -166.142
bonds (distance) P-C4' energy: -159.172
flat angles C4'-P-C4' energy: -180.871
flat angles P-C4'-P energy: -103.968
tors. eta vs tors. theta energy: -226.997
Dist. restrs. and SS energy: 1.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -2553.381812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.381812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.390693 (E_RNA)
where:
Base-Base interactions energy: -1758.947
where: short stacking energy: -755.884
Base-Backbone interact. energy: -3.074
local terms energy: -794.369643
where:
bonds (distance) C4'-P energy: -152.759
bonds (distance) P-C4' energy: -140.943
flat angles C4'-P-C4' energy: -178.136
flat angles P-C4'-P energy: -102.826
tors. eta vs tors. theta energy: -219.707
Dist. restrs. and SS energy: 3.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -2364.139776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.139776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.405295 (E_RNA)
where:
Base-Base interactions energy: -1627.891
where: short stacking energy: -710.460
Base-Backbone interact. energy: 6.385
local terms energy: -744.898448
where:
bonds (distance) C4'-P energy: -134.780
bonds (distance) P-C4' energy: -146.713
flat angles C4'-P-C4' energy: -157.098
flat angles P-C4'-P energy: -99.315
tors. eta vs tors. theta energy: -206.993
Dist. restrs. and SS energy: 2.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -2177.872566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.872566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.237183 (E_RNA)
where:
Base-Base interactions energy: -1462.186
where: short stacking energy: -634.072
Base-Backbone interact. energy: -1.882
local terms energy: -716.168859
where:
bonds (distance) C4'-P energy: -126.701
bonds (distance) P-C4' energy: -152.321
flat angles C4'-P-C4' energy: -168.656
flat angles P-C4'-P energy: -99.390
tors. eta vs tors. theta energy: -169.101
Dist. restrs. and SS energy: 2.365 (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: 8
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -2092.074168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.074168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.364170 (E_RNA)
where:
Base-Base interactions energy: -1421.417
where: short stacking energy: -625.919
Base-Backbone interact. energy: -0.266
local terms energy: -673.681121
where:
bonds (distance) C4'-P energy: -119.768
bonds (distance) P-C4' energy: -159.033
flat angles C4'-P-C4' energy: -152.807
flat angles P-C4'-P energy: -91.913
tors. eta vs tors. theta energy: -150.161
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: 8, replica: 1
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -2032.093638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.093638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.120598 (E_RNA)
where:
Base-Base interactions energy: -1387.641
where: short stacking energy: -584.478
Base-Backbone interact. energy: -3.851
local terms energy: -642.628628
where:
bonds (distance) C4'-P energy: -125.930
bonds (distance) P-C4' energy: -129.917
flat angles C4'-P-C4' energy: -139.228
flat angles P-C4'-P energy: -82.396
tors. eta vs tors. theta energy: -165.157
Dist. restrs. and SS energy: 2.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -1958.179262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.179262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.020139 (E_RNA)
where:
Base-Base interactions energy: -1367.700
where: short stacking energy: -596.829
Base-Backbone interact. energy: 4.897
local terms energy: -598.216777
where:
bonds (distance) C4'-P energy: -122.732
bonds (distance) P-C4' energy: -126.156
flat angles C4'-P-C4' energy: -110.954
flat angles P-C4'-P energy: -78.144
tors. eta vs tors. theta energy: -160.231
Dist. restrs. and SS energy: 2.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -1892.839101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.839101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.339310 (E_RNA)
where:
Base-Base interactions energy: -1278.390
where: short stacking energy: -523.086
Base-Backbone interact. energy: 0.218
local terms energy: -617.167272
where:
bonds (distance) C4'-P energy: -125.204
bonds (distance) P-C4' energy: -121.391
flat angles C4'-P-C4' energy: -124.223
flat angles P-C4'-P energy: -105.534
tors. eta vs tors. theta energy: -140.816
Dist. restrs. and SS energy: 2.500 (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: 9
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -2949.858808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2949.858808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2950.826290 (E_RNA)
where:
Base-Base interactions energy: -2066.096
where: short stacking energy: -853.745
Base-Backbone interact. energy: -2.946
local terms energy: -881.783852
where:
bonds (distance) C4'-P energy: -149.546
bonds (distance) P-C4' energy: -161.400
flat angles C4'-P-C4' energy: -186.352
flat angles P-C4'-P energy: -139.442
tors. eta vs tors. theta energy: -245.043
Dist. restrs. and SS energy: 0.967 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -2854.930856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2854.930856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2856.274830 (E_RNA)
where:
Base-Base interactions energy: -1990.704
where: short stacking energy: -837.285
Base-Backbone interact. energy: -2.730
local terms energy: -862.840788
where:
bonds (distance) C4'-P energy: -162.575
bonds (distance) P-C4' energy: -163.081
flat angles C4'-P-C4' energy: -181.329
flat angles P-C4'-P energy: -122.431
tors. eta vs tors. theta energy: -233.425
Dist. restrs. and SS energy: 1.344 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -2565.718597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.718597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.046659 (E_RNA)
where:
Base-Base interactions energy: -1728.654
where: short stacking energy: -748.247
Base-Backbone interact. energy: -0.246
local terms energy: -838.146798
where:
bonds (distance) C4'-P energy: -146.675
bonds (distance) P-C4' energy: -158.880
flat angles C4'-P-C4' energy: -186.272
flat angles P-C4'-P energy: -117.013
tors. eta vs tors. theta energy: -229.307
Dist. restrs. and SS energy: 1.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -2554.057874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.057874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.994721 (E_RNA)
where:
Base-Base interactions energy: -1757.255
where: short stacking energy: -746.674
Base-Backbone interact. energy: -0.534
local terms energy: -798.205904
where:
bonds (distance) C4'-P energy: -140.573
bonds (distance) P-C4' energy: -159.352
flat angles C4'-P-C4' energy: -165.293
flat angles P-C4'-P energy: -115.001
tors. eta vs tors. theta energy: -217.987
Dist. restrs. and SS energy: 1.937 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -2398.866093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.866093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.355758 (E_RNA)
where:
Base-Base interactions energy: -1637.668
where: short stacking energy: -708.274
Base-Backbone interact. energy: 0.087
local terms energy: -762.775264
where:
bonds (distance) C4'-P energy: -151.389
bonds (distance) P-C4' energy: -141.728
flat angles C4'-P-C4' energy: -165.130
flat angles P-C4'-P energy: -98.292
tors. eta vs tors. theta energy: -206.237
Dist. restrs. and SS energy: 1.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -2185.662641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.662641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.372350 (E_RNA)
where:
Base-Base interactions energy: -1476.442
where: short stacking energy: -636.668
Base-Backbone interact. energy: -2.444
local terms energy: -709.485919
where:
bonds (distance) C4'-P energy: -131.454
bonds (distance) P-C4' energy: -137.829
flat angles C4'-P-C4' energy: -163.699
flat angles P-C4'-P energy: -99.611
tors. eta vs tors. theta energy: -176.892
Dist. restrs. and SS energy: 2.710 (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: 8
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -2091.404804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.404804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.605541 (E_RNA)
where:
Base-Base interactions energy: -1399.691
where: short stacking energy: -592.636
Base-Backbone interact. energy: 5.227
local terms energy: -700.142326
where:
bonds (distance) C4'-P energy: -148.291
bonds (distance) P-C4' energy: -138.310
flat angles C4'-P-C4' energy: -145.592
flat angles P-C4'-P energy: -104.213
tors. eta vs tors. theta energy: -163.737
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: 8, replica: 1
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -2023.963643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.963643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.483352 (E_RNA)
where:
Base-Base interactions energy: -1359.269
where: short stacking energy: -592.186
Base-Backbone interact. energy: 0.639
local terms energy: -667.852924
where:
bonds (distance) C4'-P energy: -114.108
bonds (distance) P-C4' energy: -138.804
flat angles C4'-P-C4' energy: -152.326
flat angles P-C4'-P energy: -93.451
tors. eta vs tors. theta energy: -169.164
Dist. restrs. and SS energy: 2.520 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -1925.379404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.379404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.543645 (E_RNA)
where:
Base-Base interactions energy: -1304.564
where: short stacking energy: -583.469
Base-Backbone interact. energy: 1.884
local terms energy: -625.863918
where:
bonds (distance) C4'-P energy: -95.022
bonds (distance) P-C4' energy: -149.391
flat angles C4'-P-C4' energy: -142.758
flat angles P-C4'-P energy: -84.291
tors. eta vs tors. theta energy: -154.402
Dist. restrs. and SS energy: 3.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -1853.718099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.718099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.993524 (E_RNA)
where:
Base-Base interactions energy: -1280.195
where: short stacking energy: -540.275
Base-Backbone interact. energy: 4.357
local terms energy: -583.155909
where:
bonds (distance) C4'-P energy: -142.804
bonds (distance) P-C4' energy: -123.201
flat angles C4'-P-C4' energy: -128.848
flat angles P-C4'-P energy: -65.322
tors. eta vs tors. theta energy: -122.980
Dist. restrs. and SS energy: 5.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -2958.510922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2958.510922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2961.339304 (E_RNA)
where:
Base-Base interactions energy: -2081.546
where: short stacking energy: -849.514
Base-Backbone interact. energy: -2.708
local terms energy: -877.084691
where:
bonds (distance) C4'-P energy: -161.062
bonds (distance) P-C4' energy: -163.894
flat angles C4'-P-C4' energy: -176.040
flat angles P-C4'-P energy: -123.560
tors. eta vs tors. theta energy: -252.529
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: 2, replica: 4
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -2844.500383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2844.500383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2846.094859 (E_RNA)
where:
Base-Base interactions energy: -1974.855
where: short stacking energy: -814.682
Base-Backbone interact. energy: -2.190
local terms energy: -869.050002
where:
bonds (distance) C4'-P energy: -164.454
bonds (distance) P-C4' energy: -167.584
flat angles C4'-P-C4' energy: -182.775
flat angles P-C4'-P energy: -119.504
tors. eta vs tors. theta energy: -234.733
Dist. restrs. and SS energy: 1.594 (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: 6
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -2588.513934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.513934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.681452 (E_RNA)
where:
Base-Base interactions energy: -1754.288
where: short stacking energy: -758.033
Base-Backbone interact. energy: -1.293
local terms energy: -835.100394
where:
bonds (distance) C4'-P energy: -158.906
bonds (distance) P-C4' energy: -153.704
flat angles C4'-P-C4' energy: -176.277
flat angles P-C4'-P energy: -119.869
tors. eta vs tors. theta energy: -226.344
Dist. restrs. and SS energy: 2.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -2555.482101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.482101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.954301 (E_RNA)
where:
Base-Base interactions energy: -1786.369
where: short stacking energy: -724.041
Base-Backbone interact. energy: 0.810
local terms energy: -772.395540
where:
bonds (distance) C4'-P energy: -134.605
bonds (distance) P-C4' energy: -152.099
flat angles C4'-P-C4' energy: -169.824
flat angles P-C4'-P energy: -115.585
tors. eta vs tors. theta energy: -200.282
Dist. restrs. and SS energy: 2.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -2407.190953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.190953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.180632 (E_RNA)
where:
Base-Base interactions energy: -1607.232
where: short stacking energy: -689.891
Base-Backbone interact. energy: -1.447
local terms energy: -800.501854
where:
bonds (distance) C4'-P energy: -147.399
bonds (distance) P-C4' energy: -146.611
flat angles C4'-P-C4' energy: -183.694
flat angles P-C4'-P energy: -122.718
tors. eta vs tors. theta energy: -200.080
Dist. restrs. and SS energy: 1.990 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -2196.414180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.414180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.363663 (E_RNA)
where:
Base-Base interactions energy: -1468.065
where: short stacking energy: -610.098
Base-Backbone interact. energy: -3.615
local terms energy: -727.684490
where:
bonds (distance) C4'-P energy: -138.069
bonds (distance) P-C4' energy: -132.295
flat angles C4'-P-C4' energy: -169.344
flat angles P-C4'-P energy: -104.598
tors. eta vs tors. theta energy: -183.378
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: 7, replica: 8
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -2090.367392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.367392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.655826 (E_RNA)
where:
Base-Base interactions energy: -1411.671
where: short stacking energy: -604.062
Base-Backbone interact. energy: 0.471
local terms energy: -681.456183
where:
bonds (distance) C4'-P energy: -126.816
bonds (distance) P-C4' energy: -148.739
flat angles C4'-P-C4' energy: -151.158
flat angles P-C4'-P energy: -96.402
tors. eta vs tors. theta energy: -158.342
Dist. restrs. and SS energy: 2.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -2018.366335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.366335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.570653 (E_RNA)
where:
Base-Base interactions energy: -1383.286
where: short stacking energy: -561.734
Base-Backbone interact. energy: -3.406
local terms energy: -635.878633
where:
bonds (distance) C4'-P energy: -129.801
bonds (distance) P-C4' energy: -133.229
flat angles C4'-P-C4' energy: -136.050
flat angles P-C4'-P energy: -90.577
tors. eta vs tors. theta energy: -146.223
Dist. restrs. and SS energy: 4.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -1925.747603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.747603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.453890 (E_RNA)
where:
Base-Base interactions energy: -1303.682
where: short stacking energy: -532.841
Base-Backbone interact. energy: 3.165
local terms energy: -626.937028
where:
bonds (distance) C4'-P energy: -123.339
bonds (distance) P-C4' energy: -135.579
flat angles C4'-P-C4' energy: -132.297
flat angles P-C4'-P energy: -105.610
tors. eta vs tors. theta energy: -130.112
Dist. restrs. and SS energy: 1.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -1915.482558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.482558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.690771 (E_RNA)
where:
Base-Base interactions energy: -1316.786
where: short stacking energy: -547.948
Base-Backbone interact. energy: -1.692
local terms energy: -600.212658
where:
bonds (distance) C4'-P energy: -121.457
bonds (distance) P-C4' energy: -131.586
flat angles C4'-P-C4' energy: -128.461
flat angles P-C4'-P energy: -86.419
tors. eta vs tors. theta energy: -132.290
Dist. restrs. and SS energy: 3.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -2969.668620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2969.668620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2970.775772 (E_RNA)
where:
Base-Base interactions energy: -2072.867
where: short stacking energy: -860.269
Base-Backbone interact. energy: -2.100
local terms energy: -895.808680
where:
bonds (distance) C4'-P energy: -157.318
bonds (distance) P-C4' energy: -176.224
flat angles C4'-P-C4' energy: -182.087
flat angles P-C4'-P energy: -132.633
tors. eta vs tors. theta energy: -247.548
Dist. restrs. and SS energy: 1.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -2848.924056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2848.924056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2850.718633 (E_RNA)
where:
Base-Base interactions energy: -1990.044
where: short stacking energy: -817.249
Base-Backbone interact. energy: 0.946
local terms energy: -861.620633
where:
bonds (distance) C4'-P energy: -150.413
bonds (distance) P-C4' energy: -164.438
flat angles C4'-P-C4' energy: -185.818
flat angles P-C4'-P energy: -121.316
tors. eta vs tors. theta energy: -239.636
Dist. restrs. and SS energy: 1.795 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -2604.984044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.984044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.208050 (E_RNA)
where:
Base-Base interactions energy: -1781.025
where: short stacking energy: -791.887
Base-Backbone interact. energy: -2.317
local terms energy: -823.866375
where:
bonds (distance) C4'-P energy: -149.682
bonds (distance) P-C4' energy: -144.975
flat angles C4'-P-C4' energy: -176.188
flat angles P-C4'-P energy: -111.341
tors. eta vs tors. theta energy: -241.679
Dist. restrs. and SS energy: 2.224 (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: 5
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -2565.478370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.478370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.527708 (E_RNA)
where:
Base-Base interactions energy: -1760.050
where: short stacking energy: -736.182
Base-Backbone interact. energy: -1.520
local terms energy: -806.956972
where:
bonds (distance) C4'-P energy: -155.220
bonds (distance) P-C4' energy: -139.251
flat angles C4'-P-C4' energy: -165.465
flat angles P-C4'-P energy: -125.811
tors. eta vs tors. theta energy: -221.210
Dist. restrs. and SS energy: 3.049 (S_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: 261
Temperature: 1.100000
Total energy: -2353.476390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.476390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.424831 (E_RNA)
where:
Base-Base interactions energy: -1627.592
where: short stacking energy: -696.466
Base-Backbone interact. energy: 3.824
local terms energy: -731.656752
where:
bonds (distance) C4'-P energy: -134.989
bonds (distance) P-C4' energy: -150.472
flat angles C4'-P-C4' energy: -163.477
flat angles P-C4'-P energy: -99.505
tors. eta vs tors. theta energy: -183.214
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: 6, replica: 2
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -2208.177583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.177583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.812554 (E_RNA)
where:
Base-Base interactions energy: -1477.252
where: short stacking energy: -651.536
Base-Backbone interact. energy: 1.824
local terms energy: -735.384287
where:
bonds (distance) C4'-P energy: -153.209
bonds (distance) P-C4' energy: -145.410
flat angles C4'-P-C4' energy: -149.392
flat angles P-C4'-P energy: -108.628
tors. eta vs tors. theta energy: -178.746
Dist. restrs. and SS energy: 2.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -2116.572169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.572169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.311111 (E_RNA)
where:
Base-Base interactions energy: -1415.376
where: short stacking energy: -602.181
Base-Backbone interact. energy: 3.087
local terms energy: -708.021646
where:
bonds (distance) C4'-P energy: -156.382
bonds (distance) P-C4' energy: -136.979
flat angles C4'-P-C4' energy: -154.733
flat angles P-C4'-P energy: -100.985
tors. eta vs tors. theta energy: -158.942
Dist. restrs. and SS energy: 3.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -2007.614318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.614318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.252138 (E_RNA)
where:
Base-Base interactions energy: -1331.021
where: short stacking energy: -577.555
Base-Backbone interact. energy: -0.280
local terms energy: -679.951477
where:
bonds (distance) C4'-P energy: -132.688
bonds (distance) P-C4' energy: -139.545
flat angles C4'-P-C4' energy: -159.082
flat angles P-C4'-P energy: -89.288
tors. eta vs tors. theta energy: -159.348
Dist. restrs. and SS energy: 3.638 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -1965.174238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.174238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.640499 (E_RNA)
where:
Base-Base interactions energy: -1306.169
where: short stacking energy: -551.959
Base-Backbone interact. energy: -1.413
local terms energy: -661.058925
where:
bonds (distance) C4'-P energy: -137.034
bonds (distance) P-C4' energy: -140.599
flat angles C4'-P-C4' energy: -145.150
flat angles P-C4'-P energy: -90.782
tors. eta vs tors. theta energy: -147.493
Dist. restrs. and SS energy: 3.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -1863.371779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.371779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.168814 (E_RNA)
where:
Base-Base interactions energy: -1291.642
where: short stacking energy: -543.556
Base-Backbone interact. energy: 2.240
local terms energy: -579.766265
where:
bonds (distance) C4'-P energy: -130.550
bonds (distance) P-C4' energy: -96.336
flat angles C4'-P-C4' energy: -133.494
flat angles P-C4'-P energy: -79.020
tors. eta vs tors. theta energy: -140.367
Dist. restrs. and SS energy: 5.797 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -2950.061992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2950.061992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2951.315775 (E_RNA)
where:
Base-Base interactions energy: -2042.147
where: short stacking energy: -858.118
Base-Backbone interact. energy: -2.850
local terms energy: -906.318521
where:
bonds (distance) C4'-P energy: -168.306
bonds (distance) P-C4' energy: -166.222
flat angles C4'-P-C4' energy: -188.833
flat angles P-C4'-P energy: -134.853
tors. eta vs tors. theta energy: -248.105
Dist. restrs. and SS energy: 1.254 (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: 4
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -2834.793095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2834.793095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2836.153355 (E_RNA)
where:
Base-Base interactions energy: -1992.012
where: short stacking energy: -832.561
Base-Backbone interact. energy: 1.831
local terms energy: -845.972489
where:
bonds (distance) C4'-P energy: -140.016
bonds (distance) P-C4' energy: -161.140
flat angles C4'-P-C4' energy: -178.648
flat angles P-C4'-P energy: -126.158
tors. eta vs tors. theta energy: -240.009
Dist. restrs. and SS energy: 1.360 (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: 6
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -2604.037401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.037401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.545650 (E_RNA)
where:
Base-Base interactions energy: -1766.964
where: short stacking energy: -752.897
Base-Backbone interact. energy: -0.761
local terms energy: -837.820513
where:
bonds (distance) C4'-P energy: -155.416
bonds (distance) P-C4' energy: -148.368
flat angles C4'-P-C4' energy: -181.271
flat angles P-C4'-P energy: -117.526
tors. eta vs tors. theta energy: -235.240
Dist. restrs. and SS energy: 1.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -2592.040051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.040051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.325515 (E_RNA)
where:
Base-Base interactions energy: -1779.491
where: short stacking energy: -754.332
Base-Backbone interact. energy: -3.193
local terms energy: -811.641817
where:
bonds (distance) C4'-P energy: -147.898
bonds (distance) P-C4' energy: -156.664
flat angles C4'-P-C4' energy: -164.724
flat angles P-C4'-P energy: -117.495
tors. eta vs tors. theta energy: -224.860
Dist. restrs. and SS energy: 2.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -2419.689221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.689221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.283331 (E_RNA)
where:
Base-Base interactions energy: -1644.451
where: short stacking energy: -702.936
Base-Backbone interact. energy: -1.842
local terms energy: -774.989953
where:
bonds (distance) C4'-P energy: -147.567
bonds (distance) P-C4' energy: -141.571
flat angles C4'-P-C4' energy: -173.220
flat angles P-C4'-P energy: -101.470
tors. eta vs tors. theta energy: -211.163
Dist. restrs. and SS energy: 1.594 (S_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: 262
Temperature: 1.150000
Total energy: -2228.971065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.971065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.551326 (E_RNA)
where:
Base-Base interactions energy: -1540.151
where: short stacking energy: -646.492
Base-Backbone interact. energy: -4.083
local terms energy: -686.316880
where:
bonds (distance) C4'-P energy: -122.452
bonds (distance) P-C4' energy: -131.975
flat angles C4'-P-C4' energy: -164.184
flat angles P-C4'-P energy: -92.395
tors. eta vs tors. theta energy: -175.310
Dist. restrs. and SS energy: 1.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -2108.860533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.860533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.730357 (E_RNA)
where:
Base-Base interactions energy: -1404.000
where: short stacking energy: -601.435
Base-Backbone interact. energy: -3.545
local terms energy: -703.185637
where:
bonds (distance) C4'-P energy: -138.329
bonds (distance) P-C4' energy: -148.896
flat angles C4'-P-C4' energy: -154.592
flat angles P-C4'-P energy: -101.386
tors. eta vs tors. theta energy: -159.982
Dist. restrs. and SS energy: 1.870 (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: 262
Temperature: 1.250000
Total energy: -2050.346237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.346237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.158594 (E_RNA)
where:
Base-Base interactions energy: -1355.221
where: short stacking energy: -592.342
Base-Backbone interact. energy: -0.772
local terms energy: -697.165515
where:
bonds (distance) C4'-P energy: -124.149
bonds (distance) P-C4' energy: -157.656
flat angles C4'-P-C4' energy: -143.971
flat angles P-C4'-P energy: -107.572
tors. eta vs tors. theta energy: -163.818
Dist. restrs. and SS energy: 2.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -1988.612961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.612961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.971165 (E_RNA)
where:
Base-Base interactions energy: -1357.714
where: short stacking energy: -570.019
Base-Backbone interact. energy: 1.822
local terms energy: -635.079083
where:
bonds (distance) C4'-P energy: -130.767
bonds (distance) P-C4' energy: -133.567
flat angles C4'-P-C4' energy: -127.168
flat angles P-C4'-P energy: -80.932
tors. eta vs tors. theta energy: -162.644
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: 10, replica: 10
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -1903.748990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.748990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.503144 (E_RNA)
where:
Base-Base interactions energy: -1273.168
where: short stacking energy: -540.832
Base-Backbone interact. energy: -4.697
local terms energy: -629.637964
where:
bonds (distance) C4'-P energy: -129.062
bonds (distance) P-C4' energy: -120.325
flat angles C4'-P-C4' energy: -141.480
flat angles P-C4'-P energy: -82.690
tors. eta vs tors. theta energy: -156.081
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: 1, replica: 9
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -2940.657184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2940.657184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2941.914969 (E_RNA)
where:
Base-Base interactions energy: -2075.137
where: short stacking energy: -842.553
Base-Backbone interact. energy: 6.099
local terms energy: -872.877175
where:
bonds (distance) C4'-P energy: -146.222
bonds (distance) P-C4' energy: -173.604
flat angles C4'-P-C4' energy: -188.161
flat angles P-C4'-P energy: -127.450
tors. eta vs tors. theta energy: -237.439
Dist. restrs. and SS energy: 1.258 (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: 4
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -2837.755196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2837.755196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2840.131048 (E_RNA)
where:
Base-Base interactions energy: -1941.791
where: short stacking energy: -824.681
Base-Backbone interact. energy: 1.634
local terms energy: -899.974060
where:
bonds (distance) C4'-P energy: -161.370
bonds (distance) P-C4' energy: -176.725
flat angles C4'-P-C4' energy: -193.266
flat angles P-C4'-P energy: -127.358
tors. eta vs tors. theta energy: -241.255
Dist. restrs. and SS energy: 2.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -2581.410300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.410300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.264326 (E_RNA)
where:
Base-Base interactions energy: -1749.364
where: short stacking energy: -770.675
Base-Backbone interact. energy: 0.744
local terms energy: -834.644040
where:
bonds (distance) C4'-P energy: -148.330
bonds (distance) P-C4' energy: -158.341
flat angles C4'-P-C4' energy: -180.732
flat angles P-C4'-P energy: -118.725
tors. eta vs tors. theta energy: -228.516
Dist. restrs. and SS energy: 1.854 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -2553.823488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.823488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.034932 (E_RNA)
where:
Base-Base interactions energy: -1779.387
where: short stacking energy: -733.351
Base-Backbone interact. energy: 1.265
local terms energy: -777.913172
where:
bonds (distance) C4'-P energy: -155.656
bonds (distance) P-C4' energy: -148.206
flat angles C4'-P-C4' energy: -154.128
flat angles P-C4'-P energy: -117.799
tors. eta vs tors. theta energy: -202.125
Dist. restrs. and SS energy: 2.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -2433.431462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.431462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.542948 (E_RNA)
where:
Base-Base interactions energy: -1665.231
where: short stacking energy: -713.270
Base-Backbone interact. energy: -0.376
local terms energy: -769.935978
where:
bonds (distance) C4'-P energy: -145.866
bonds (distance) P-C4' energy: -135.841
flat angles C4'-P-C4' energy: -176.365
flat angles P-C4'-P energy: -116.121
tors. eta vs tors. theta energy: -195.742
Dist. restrs. and SS energy: 2.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -2224.472569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.472569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.910881 (E_RNA)
where:
Base-Base interactions energy: -1511.526
where: short stacking energy: -670.814
Base-Backbone interact. energy: -0.179
local terms energy: -715.205411
where:
bonds (distance) C4'-P energy: -127.948
bonds (distance) P-C4' energy: -144.201
flat angles C4'-P-C4' energy: -149.944
flat angles P-C4'-P energy: -108.689
tors. eta vs tors. theta energy: -184.424
Dist. restrs. and SS energy: 2.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -2088.175510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.175510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.306159 (E_RNA)
where:
Base-Base interactions energy: -1441.359
where: short stacking energy: -604.721
Base-Backbone interact. energy: 7.670
local terms energy: -656.617895
where:
bonds (distance) C4'-P energy: -120.418
bonds (distance) P-C4' energy: -150.205
flat angles C4'-P-C4' energy: -153.438
flat angles P-C4'-P energy: -80.861
tors. eta vs tors. theta energy: -151.696
Dist. restrs. and SS energy: 2.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -1990.169473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.169473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.708435 (E_RNA)
where:
Base-Base interactions energy: -1362.098
where: short stacking energy: -570.777
Base-Backbone interact. energy: 2.062
local terms energy: -632.672737
where:
bonds (distance) C4'-P energy: -130.555
bonds (distance) P-C4' energy: -124.539
flat angles C4'-P-C4' energy: -140.930
flat angles P-C4'-P energy: -85.089
tors. eta vs tors. theta energy: -151.560
Dist. restrs. and SS energy: 2.539 (S_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: 263
Temperature: 1.300000
Total energy: -1892.970273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.970273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.041841 (E_RNA)
where:
Base-Base interactions energy: -1287.001
where: short stacking energy: -529.721
Base-Backbone interact. energy: 2.870
local terms energy: -612.911062
where:
bonds (distance) C4'-P energy: -129.640
bonds (distance) P-C4' energy: -131.769
flat angles C4'-P-C4' energy: -148.806
flat angles P-C4'-P energy: -82.688
tors. eta vs tors. theta energy: -120.008
Dist. restrs. and SS energy: 4.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -1822.417137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.417137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.031233 (E_RNA)
where:
Base-Base interactions energy: -1232.380
where: short stacking energy: -514.169
Base-Backbone interact. energy: 3.724
local terms energy: -603.375056
where:
bonds (distance) C4'-P energy: -124.856
bonds (distance) P-C4' energy: -136.566
flat angles C4'-P-C4' energy: -137.657
flat angles P-C4'-P energy: -81.039
tors. eta vs tors. theta energy: -123.256
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: 1, replica: 9
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -2954.853292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2954.853292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2955.840425 (E_RNA)
where:
Base-Base interactions energy: -2057.759
where: short stacking energy: -857.386
Base-Backbone interact. energy: -0.970
local terms energy: -897.111407
where:
bonds (distance) C4'-P energy: -169.243
bonds (distance) P-C4' energy: -153.796
flat angles C4'-P-C4' energy: -182.535
flat angles P-C4'-P energy: -153.916
tors. eta vs tors. theta energy: -237.620
Dist. restrs. and SS energy: 0.987 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -2809.341365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.341365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.924207 (E_RNA)
where:
Base-Base interactions energy: -1956.900
where: short stacking energy: -844.728
Base-Backbone interact. energy: -1.861
local terms energy: -852.162977
where:
bonds (distance) C4'-P energy: -148.705
bonds (distance) P-C4' energy: -159.438
flat angles C4'-P-C4' energy: -184.337
flat angles P-C4'-P energy: -126.142
tors. eta vs tors. theta energy: -233.540
Dist. restrs. and SS energy: 1.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -2600.073290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.073290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.763885 (E_RNA)
where:
Base-Base interactions energy: -1780.902
where: short stacking energy: -798.071
Base-Backbone interact. energy: -0.174
local terms energy: -821.687999
where:
bonds (distance) C4'-P energy: -132.968
bonds (distance) P-C4' energy: -146.103
flat angles C4'-P-C4' energy: -168.024
flat angles P-C4'-P energy: -122.194
tors. eta vs tors. theta energy: -252.399
Dist. restrs. and SS energy: 2.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -2501.014093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.014093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.450973 (E_RNA)
where:
Base-Base interactions energy: -1724.681
where: short stacking energy: -726.475
Base-Backbone interact. energy: 6.244
local terms energy: -786.013977
where:
bonds (distance) C4'-P energy: -152.264
bonds (distance) P-C4' energy: -167.721
flat angles C4'-P-C4' energy: -157.880
flat angles P-C4'-P energy: -100.056
tors. eta vs tors. theta energy: -208.092
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: 5, replica: 7
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -2393.318697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.318697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.493191 (E_RNA)
where:
Base-Base interactions energy: -1625.069
where: short stacking energy: -701.914
Base-Backbone interact. energy: -2.696
local terms energy: -767.727584
where:
bonds (distance) C4'-P energy: -139.333
bonds (distance) P-C4' energy: -148.022
flat angles C4'-P-C4' energy: -160.505
flat angles P-C4'-P energy: -110.106
tors. eta vs tors. theta energy: -209.762
Dist. restrs. and SS energy: 2.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -2262.779456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.779456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.751386 (E_RNA)
where:
Base-Base interactions energy: -1541.827
where: short stacking energy: -663.978
Base-Backbone interact. energy: -3.912
local terms energy: -721.012524
where:
bonds (distance) C4'-P energy: -140.469
bonds (distance) P-C4' energy: -131.438
flat angles C4'-P-C4' energy: -150.675
flat angles P-C4'-P energy: -102.867
tors. eta vs tors. theta energy: -195.563
Dist. restrs. and SS energy: 3.972 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -2075.751159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.751159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.316290 (E_RNA)
where:
Base-Base interactions energy: -1402.717
where: short stacking energy: -600.707
Base-Backbone interact. energy: 1.001
local terms energy: -676.600333
where:
bonds (distance) C4'-P energy: -116.819
bonds (distance) P-C4' energy: -159.468
flat angles C4'-P-C4' energy: -154.146
flat angles P-C4'-P energy: -93.368
tors. eta vs tors. theta energy: -152.800
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: 8, replica: 8
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -2063.177274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.177274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.128068 (E_RNA)
where:
Base-Base interactions energy: -1403.423
where: short stacking energy: -589.675
Base-Backbone interact. energy: 1.964
local terms energy: -664.669190
where:
bonds (distance) C4'-P energy: -118.819
bonds (distance) P-C4' energy: -137.650
flat angles C4'-P-C4' energy: -146.259
flat angles P-C4'-P energy: -103.664
tors. eta vs tors. theta energy: -158.277
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: 9, replica: 3
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -1952.266594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.266594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.797350 (E_RNA)
where:
Base-Base interactions energy: -1327.476
where: short stacking energy: -564.334
Base-Backbone interact. energy: 0.194
local terms energy: -627.515112
where:
bonds (distance) C4'-P energy: -119.320
bonds (distance) P-C4' energy: -127.231
flat angles C4'-P-C4' energy: -161.379
flat angles P-C4'-P energy: -77.112
tors. eta vs tors. theta energy: -142.474
Dist. restrs. and SS energy: 2.531 (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: 10
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -1819.223247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.223247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.151390 (E_RNA)
where:
Base-Base interactions energy: -1222.417
where: short stacking energy: -510.836
Base-Backbone interact. energy: -0.562
local terms energy: -599.172409
where:
bonds (distance) C4'-P energy: -121.262
bonds (distance) P-C4' energy: -127.029
flat angles C4'-P-C4' energy: -137.393
flat angles P-C4'-P energy: -88.076
tors. eta vs tors. theta energy: -125.413
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: 1, replica: 9
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -2942.835601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2942.835601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2943.988704 (E_RNA)
where:
Base-Base interactions energy: -2029.155
where: short stacking energy: -850.893
Base-Backbone interact. energy: -4.110
local terms energy: -910.723161
where:
bonds (distance) C4'-P energy: -167.676
bonds (distance) P-C4' energy: -169.075
flat angles C4'-P-C4' energy: -189.043
flat angles P-C4'-P energy: -137.940
tors. eta vs tors. theta energy: -246.990
Dist. restrs. and SS energy: 1.153 (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: 4
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -2849.925981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2849.925981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2851.103569 (E_RNA)
where:
Base-Base interactions energy: -1985.623
where: short stacking energy: -819.328
Base-Backbone interact. energy: 0.840
local terms energy: -866.320957
where:
bonds (distance) C4'-P energy: -144.641
bonds (distance) P-C4' energy: -163.109
flat angles C4'-P-C4' energy: -197.875
flat angles P-C4'-P energy: -131.081
tors. eta vs tors. theta energy: -229.616
Dist. restrs. and SS energy: 1.178 (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: 6
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -2597.426293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.426293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.731867 (E_RNA)
where:
Base-Base interactions energy: -1783.562
where: short stacking energy: -778.721
Base-Backbone interact. energy: -3.152
local terms energy: -813.018146
where:
bonds (distance) C4'-P energy: -148.248
bonds (distance) P-C4' energy: -164.585
flat angles C4'-P-C4' energy: -170.629
flat angles P-C4'-P energy: -105.245
tors. eta vs tors. theta energy: -224.313
Dist. restrs. and SS energy: 2.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -2486.905963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.905963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.693885 (E_RNA)
where:
Base-Base interactions energy: -1689.684
where: short stacking energy: -734.592
Base-Backbone interact. energy: -0.960
local terms energy: -800.050205
where:
bonds (distance) C4'-P energy: -169.264
bonds (distance) P-C4' energy: -145.026
flat angles C4'-P-C4' energy: -165.875
flat angles P-C4'-P energy: -115.515
tors. eta vs tors. theta energy: -204.370
Dist. restrs. and SS energy: 3.788 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -2366.427388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.427388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.535987 (E_RNA)
where:
Base-Base interactions energy: -1595.705
where: short stacking energy: -664.751
Base-Backbone interact. energy: -0.244
local terms energy: -772.586845
where:
bonds (distance) C4'-P energy: -149.191
bonds (distance) P-C4' energy: -155.120
flat angles C4'-P-C4' energy: -165.363
flat angles P-C4'-P energy: -113.927
tors. eta vs tors. theta energy: -188.985
Dist. restrs. and SS energy: 2.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -2206.675617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.675617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.357175 (E_RNA)
where:
Base-Base interactions energy: -1471.649
where: short stacking energy: -646.895
Base-Backbone interact. energy: -2.779
local terms energy: -734.929227
where:
bonds (distance) C4'-P energy: -147.430
bonds (distance) P-C4' energy: -144.516
flat angles C4'-P-C4' energy: -160.674
flat angles P-C4'-P energy: -110.256
tors. eta vs tors. theta energy: -172.054
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: 7, replica: 1
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -2083.788805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.788805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.094500 (E_RNA)
where:
Base-Base interactions energy: -1399.921
where: short stacking energy: -608.030
Base-Backbone interact. energy: 6.304
local terms energy: -691.478067
where:
bonds (distance) C4'-P energy: -137.597
bonds (distance) P-C4' energy: -138.881
flat angles C4'-P-C4' energy: -157.761
flat angles P-C4'-P energy: -103.282
tors. eta vs tors. theta energy: -153.957
Dist. restrs. and SS energy: 1.306 (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: 8
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -2035.536284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.536284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.607076 (E_RNA)
where:
Base-Base interactions energy: -1347.359
where: short stacking energy: -556.937
Base-Backbone interact. energy: -4.650
local terms energy: -685.598528
where:
bonds (distance) C4'-P energy: -123.640
bonds (distance) P-C4' energy: -151.659
flat angles C4'-P-C4' energy: -170.659
flat angles P-C4'-P energy: -91.373
tors. eta vs tors. theta energy: -148.268
Dist. restrs. and SS energy: 2.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -1908.176354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.176354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.470176 (E_RNA)
where:
Base-Base interactions energy: -1287.393
where: short stacking energy: -542.315
Base-Backbone interact. energy: -0.908
local terms energy: -625.169397
where:
bonds (distance) C4'-P energy: -139.113
bonds (distance) P-C4' energy: -124.637
flat angles C4'-P-C4' energy: -129.792
flat angles P-C4'-P energy: -80.355
tors. eta vs tors. theta energy: -151.272
Dist. restrs. and SS energy: 5.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -1837.858612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.858612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.738629 (E_RNA)
where:
Base-Base interactions energy: -1282.039
where: short stacking energy: -526.730
Base-Backbone interact. energy: 8.128
local terms energy: -566.828125
where:
bonds (distance) C4'-P energy: -115.003
bonds (distance) P-C4' energy: -118.523
flat angles C4'-P-C4' energy: -135.854
flat angles P-C4'-P energy: -77.508
tors. eta vs tors. theta energy: -119.940
Dist. restrs. and SS energy: 2.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -2936.222172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2936.222172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2937.873254 (E_RNA)
where:
Base-Base interactions energy: -2043.029
where: short stacking energy: -869.123
Base-Backbone interact. energy: -3.408
local terms energy: -891.435486
where:
bonds (distance) C4'-P energy: -157.577
bonds (distance) P-C4' energy: -169.878
flat angles C4'-P-C4' energy: -178.707
flat angles P-C4'-P energy: -130.074
tors. eta vs tors. theta energy: -255.199
Dist. restrs. and SS energy: 1.651 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -2814.712540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.712540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2815.634179 (E_RNA)
where:
Base-Base interactions energy: -1970.650
where: short stacking energy: -788.955
Base-Backbone interact. energy: 0.446
local terms energy: -845.430585
where:
bonds (distance) C4'-P energy: -174.924
bonds (distance) P-C4' energy: -153.128
flat angles C4'-P-C4' energy: -178.693
flat angles P-C4'-P energy: -110.569
tors. eta vs tors. theta energy: -228.116
Dist. restrs. and SS energy: 0.922 (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: 6
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -2611.127877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.127877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.969218 (E_RNA)
where:
Base-Base interactions energy: -1764.075
where: short stacking energy: -777.143
Base-Backbone interact. energy: -1.001
local terms energy: -847.893770
where:
bonds (distance) C4'-P energy: -151.157
bonds (distance) P-C4' energy: -159.275
flat angles C4'-P-C4' energy: -185.936
flat angles P-C4'-P energy: -122.037
tors. eta vs tors. theta energy: -229.487
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: 4, replica: 5
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -2493.487843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.487843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.911109 (E_RNA)
where:
Base-Base interactions energy: -1708.315
where: short stacking energy: -696.762
Base-Backbone interact. energy: 2.443
local terms energy: -790.039285
where:
bonds (distance) C4'-P energy: -161.964
bonds (distance) P-C4' energy: -138.793
flat angles C4'-P-C4' energy: -181.338
flat angles P-C4'-P energy: -119.108
tors. eta vs tors. theta energy: -188.837
Dist. restrs. and SS energy: 2.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -2363.504093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.504093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.576682 (E_RNA)
where:
Base-Base interactions energy: -1611.206
where: short stacking energy: -688.346
Base-Backbone interact. energy: 0.746
local terms energy: -755.117219
where:
bonds (distance) C4'-P energy: -131.612
bonds (distance) P-C4' energy: -138.391
flat angles C4'-P-C4' energy: -171.726
flat angles P-C4'-P energy: -120.657
tors. eta vs tors. theta energy: -192.731
Dist. restrs. and SS energy: 2.073 (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: 2
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -2183.269841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.269841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.322853 (E_RNA)
where:
Base-Base interactions energy: -1513.082
where: short stacking energy: -632.981
Base-Backbone interact. energy: -1.792
local terms energy: -670.449328
where:
bonds (distance) C4'-P energy: -117.260
bonds (distance) P-C4' energy: -140.382
flat angles C4'-P-C4' energy: -148.128
flat angles P-C4'-P energy: -90.535
tors. eta vs tors. theta energy: -174.145
Dist. restrs. and SS energy: 2.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -2103.312322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.312322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.897514 (E_RNA)
where:
Base-Base interactions energy: -1391.293
where: short stacking energy: -631.223
Base-Backbone interact. energy: 1.677
local terms energy: -717.282062
where:
bonds (distance) C4'-P energy: -134.196
bonds (distance) P-C4' energy: -148.157
flat angles C4'-P-C4' energy: -155.612
flat angles P-C4'-P energy: -105.671
tors. eta vs tors. theta energy: -173.646
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: 8, replica: 8
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -1993.797634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.797634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.666446 (E_RNA)
where:
Base-Base interactions energy: -1343.350
where: short stacking energy: -539.652
Base-Backbone interact. energy: -1.348
local terms energy: -651.968365
where:
bonds (distance) C4'-P energy: -126.522
bonds (distance) P-C4' energy: -124.651
flat angles C4'-P-C4' energy: -145.269
flat angles P-C4'-P energy: -99.201
tors. eta vs tors. theta energy: -156.325
Dist. restrs. and SS energy: 2.869 (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: 3
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -1950.423339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.423339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.050262 (E_RNA)
where:
Base-Base interactions energy: -1298.848
where: short stacking energy: -561.300
Base-Backbone interact. energy: -3.702
local terms energy: -650.499710
where:
bonds (distance) C4'-P energy: -107.053
bonds (distance) P-C4' energy: -133.747
flat angles C4'-P-C4' energy: -160.164
flat angles P-C4'-P energy: -93.426
tors. eta vs tors. theta energy: -156.110
Dist. restrs. and SS energy: 2.627 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -1840.234006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.234006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.475803 (E_RNA)
where:
Base-Base interactions energy: -1271.371
where: short stacking energy: -535.899
Base-Backbone interact. energy: 7.301
local terms energy: -579.406041
where:
bonds (distance) C4'-P energy: -109.027
bonds (distance) P-C4' energy: -141.716
flat angles C4'-P-C4' energy: -118.852
flat angles P-C4'-P energy: -72.057
tors. eta vs tors. theta energy: -137.753
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: 1, replica: 9
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -2935.353567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2935.353567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2937.174038 (E_RNA)
where:
Base-Base interactions energy: -2056.809
where: short stacking energy: -852.707
Base-Backbone interact. energy: -3.586
local terms energy: -876.778926
where:
bonds (distance) C4'-P energy: -171.384
bonds (distance) P-C4' energy: -157.047
flat angles C4'-P-C4' energy: -176.699
flat angles P-C4'-P energy: -127.218
tors. eta vs tors. theta energy: -244.432
Dist. restrs. and SS energy: 1.820 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -2832.070577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.070577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2833.197620 (E_RNA)
where:
Base-Base interactions energy: -1990.029
where: short stacking energy: -835.351
Base-Backbone interact. energy: 2.799
local terms energy: -845.967672
where:
bonds (distance) C4'-P energy: -149.280
bonds (distance) P-C4' energy: -152.497
flat angles C4'-P-C4' energy: -193.094
flat angles P-C4'-P energy: -119.554
tors. eta vs tors. theta energy: -231.543
Dist. restrs. and SS energy: 1.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -2599.358431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.358431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.145824 (E_RNA)
where:
Base-Base interactions energy: -1772.324
where: short stacking energy: -756.062
Base-Backbone interact. energy: 0.145
local terms energy: -829.967534
where:
bonds (distance) C4'-P energy: -159.929
bonds (distance) P-C4' energy: -159.597
flat angles C4'-P-C4' energy: -173.832
flat angles P-C4'-P energy: -116.679
tors. eta vs tors. theta energy: -219.930
Dist. restrs. and SS energy: 2.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -2476.183144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.183144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.974945 (E_RNA)
where:
Base-Base interactions energy: -1677.246
where: short stacking energy: -724.980
Base-Backbone interact. energy: -1.074
local terms energy: -800.655124
where:
bonds (distance) C4'-P energy: -140.605
bonds (distance) P-C4' energy: -151.991
flat angles C4'-P-C4' energy: -172.457
flat angles P-C4'-P energy: -119.478
tors. eta vs tors. theta energy: -216.125
Dist. restrs. and SS energy: 2.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -2474.746199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.746199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.430780 (E_RNA)
where:
Base-Base interactions energy: -1705.705
where: short stacking energy: -691.144
Base-Backbone interact. energy: -0.941
local terms energy: -771.784696
where:
bonds (distance) C4'-P energy: -148.178
bonds (distance) P-C4' energy: -156.216
flat angles C4'-P-C4' energy: -157.527
flat angles P-C4'-P energy: -106.863
tors. eta vs tors. theta energy: -203.001
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: 6, replica: 2
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -2173.126864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.126864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.814583 (E_RNA)
where:
Base-Base interactions energy: -1467.710
where: short stacking energy: -623.110
Base-Backbone interact. energy: -0.395
local terms energy: -707.709750
where:
bonds (distance) C4'-P energy: -129.701
bonds (distance) P-C4' energy: -145.859
flat angles C4'-P-C4' energy: -155.141
flat angles P-C4'-P energy: -94.462
tors. eta vs tors. theta energy: -182.546
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: 7, replica: 1
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -2079.536937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.536937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.541575 (E_RNA)
where:
Base-Base interactions energy: -1421.198
where: short stacking energy: -624.200
Base-Backbone interact. energy: -1.546
local terms energy: -659.797998
where:
bonds (distance) C4'-P energy: -134.797
bonds (distance) P-C4' energy: -129.329
flat angles C4'-P-C4' energy: -143.289
flat angles P-C4'-P energy: -100.145
tors. eta vs tors. theta energy: -152.238
Dist. restrs. and SS energy: 3.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -2011.875278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.875278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.959873 (E_RNA)
where:
Base-Base interactions energy: -1355.466
where: short stacking energy: -581.792
Base-Backbone interact. energy: -2.149
local terms energy: -657.344383
where:
bonds (distance) C4'-P energy: -133.390
bonds (distance) P-C4' energy: -119.926
flat angles C4'-P-C4' energy: -158.612
flat angles P-C4'-P energy: -85.831
tors. eta vs tors. theta energy: -159.585
Dist. restrs. and SS energy: 3.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -1994.106181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.106181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.013246 (E_RNA)
where:
Base-Base interactions energy: -1369.201
where: short stacking energy: -593.652
Base-Backbone interact. energy: -1.636
local terms energy: -626.175507
where:
bonds (distance) C4'-P energy: -126.145
bonds (distance) P-C4' energy: -105.571
flat angles C4'-P-C4' energy: -154.139
flat angles P-C4'-P energy: -85.385
tors. eta vs tors. theta energy: -154.935
Dist. restrs. and SS energy: 2.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -1851.191665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.191665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.675201 (E_RNA)
where:
Base-Base interactions energy: -1220.247
where: short stacking energy: -490.133
Base-Backbone interact. energy: 0.859
local terms energy: -635.287405
where:
bonds (distance) C4'-P energy: -124.367
bonds (distance) P-C4' energy: -148.890
flat angles C4'-P-C4' energy: -159.184
flat angles P-C4'-P energy: -88.406
tors. eta vs tors. theta energy: -114.441
Dist. restrs. and SS energy: 3.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -2949.865971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2949.865971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2950.783474 (E_RNA)
where:
Base-Base interactions energy: -2072.440
where: short stacking energy: -835.603
Base-Backbone interact. energy: -1.835
local terms energy: -876.508607
where:
bonds (distance) C4'-P energy: -158.197
bonds (distance) P-C4' energy: -177.712
flat angles C4'-P-C4' energy: -178.711
flat angles P-C4'-P energy: -118.671
tors. eta vs tors. theta energy: -243.218
Dist. restrs. and SS energy: 0.918 (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: 4
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -2811.884693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.884693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.934631 (E_RNA)
where:
Base-Base interactions energy: -1928.380
where: short stacking energy: -808.590
Base-Backbone interact. energy: 0.798
local terms energy: -885.352262
where:
bonds (distance) C4'-P energy: -160.758
bonds (distance) P-C4' energy: -161.410
flat angles C4'-P-C4' energy: -192.002
flat angles P-C4'-P energy: -133.354
tors. eta vs tors. theta energy: -237.828
Dist. restrs. and SS energy: 1.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -2581.500366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.500366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.170766 (E_RNA)
where:
Base-Base interactions energy: -1778.024
where: short stacking energy: -765.819
Base-Backbone interact. energy: -3.477
local terms energy: -802.670086
where:
bonds (distance) C4'-P energy: -153.774
bonds (distance) P-C4' energy: -138.265
flat angles C4'-P-C4' energy: -170.868
flat angles P-C4'-P energy: -123.902
tors. eta vs tors. theta energy: -215.861
Dist. restrs. and SS energy: 2.670 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -2530.129795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.129795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.448735 (E_RNA)
where:
Base-Base interactions energy: -1722.664
where: short stacking energy: -748.232
Base-Backbone interact. energy: -0.110
local terms energy: -808.675420
where:
bonds (distance) C4'-P energy: -151.327
bonds (distance) P-C4' energy: -149.715
flat angles C4'-P-C4' energy: -168.410
flat angles P-C4'-P energy: -113.162
tors. eta vs tors. theta energy: -226.062
Dist. restrs. and SS energy: 1.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -2378.344692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.344692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.596226 (E_RNA)
where:
Base-Base interactions energy: -1603.030
where: short stacking energy: -699.286
Base-Backbone interact. energy: 4.473
local terms energy: -782.039906
where:
bonds (distance) C4'-P energy: -150.617
bonds (distance) P-C4' energy: -134.786
flat angles C4'-P-C4' energy: -186.204
flat angles P-C4'-P energy: -106.632
tors. eta vs tors. theta energy: -203.801
Dist. restrs. and SS energy: 2.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -2161.797677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.797677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.584832 (E_RNA)
where:
Base-Base interactions energy: -1449.359
where: short stacking energy: -606.321
Base-Backbone interact. energy: -2.255
local terms energy: -711.970960
where:
bonds (distance) C4'-P energy: -133.139
bonds (distance) P-C4' energy: -147.636
flat angles C4'-P-C4' energy: -164.450
flat angles P-C4'-P energy: -84.655
tors. eta vs tors. theta energy: -182.091
Dist. restrs. and SS energy: 1.787 (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: 3
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -2095.001202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.001202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.991370 (E_RNA)
where:
Base-Base interactions energy: -1379.647
where: short stacking energy: -603.193
Base-Backbone interact. energy: -0.740
local terms energy: -716.604491
where:
bonds (distance) C4'-P energy: -138.862
bonds (distance) P-C4' energy: -148.439
flat angles C4'-P-C4' energy: -155.933
flat angles P-C4'-P energy: -116.240
tors. eta vs tors. theta energy: -157.130
Dist. restrs. and SS energy: 1.990 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -2054.373587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.373587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.000079 (E_RNA)
where:
Base-Base interactions energy: -1396.365
where: short stacking energy: -631.456
Base-Backbone interact. energy: -0.875
local terms energy: -660.759931
where:
bonds (distance) C4'-P energy: -115.218
bonds (distance) P-C4' energy: -142.335
flat angles C4'-P-C4' energy: -149.687
flat angles P-C4'-P energy: -83.997
tors. eta vs tors. theta energy: -169.523
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: 9, replica: 8
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -1941.334882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.334882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.018780 (E_RNA)
where:
Base-Base interactions energy: -1321.120
where: short stacking energy: -551.970
Base-Backbone interact. energy: -3.687
local terms energy: -619.211555
where:
bonds (distance) C4'-P energy: -137.708
bonds (distance) P-C4' energy: -122.007
flat angles C4'-P-C4' energy: -122.065
flat angles P-C4'-P energy: -93.494
tors. eta vs tors. theta energy: -143.937
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: 10, replica: 10
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -1792.383842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.383842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.962401 (E_RNA)
where:
Base-Base interactions energy: -1205.026
where: short stacking energy: -483.705
Base-Backbone interact. energy: -3.189
local terms energy: -590.746697
where:
bonds (distance) C4'-P energy: -123.823
bonds (distance) P-C4' energy: -125.406
flat angles C4'-P-C4' energy: -140.285
flat angles P-C4'-P energy: -88.108
tors. eta vs tors. theta energy: -113.124
Dist. restrs. and SS energy: 6.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -2914.891380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2914.891380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2915.579423 (E_RNA)
where:
Base-Base interactions energy: -2070.755
where: short stacking energy: -856.869
Base-Backbone interact. energy: 6.826
local terms energy: -851.651025
where:
bonds (distance) C4'-P energy: -150.161
bonds (distance) P-C4' energy: -159.152
flat angles C4'-P-C4' energy: -183.073
flat angles P-C4'-P energy: -123.761
tors. eta vs tors. theta energy: -235.504
Dist. restrs. and SS energy: 0.688 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -2827.559331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2827.559331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2829.518991 (E_RNA)
where:
Base-Base interactions energy: -1981.766
where: short stacking energy: -845.440
Base-Backbone interact. energy: -5.039
local terms energy: -842.713983
where:
bonds (distance) C4'-P energy: -142.330
bonds (distance) P-C4' energy: -149.675
flat angles C4'-P-C4' energy: -187.491
flat angles P-C4'-P energy: -122.967
tors. eta vs tors. theta energy: -240.251
Dist. restrs. and SS energy: 1.960 (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: 6
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -2591.142812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.142812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.697481 (E_RNA)
where:
Base-Base interactions energy: -1753.613
where: short stacking energy: -757.836
Base-Backbone interact. energy: -1.100
local terms energy: -837.984444
where:
bonds (distance) C4'-P energy: -158.791
bonds (distance) P-C4' energy: -145.441
flat angles C4'-P-C4' energy: -184.630
flat angles P-C4'-P energy: -125.722
tors. eta vs tors. theta energy: -223.400
Dist. restrs. and SS energy: 1.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -2455.022688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.022688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.774733 (E_RNA)
where:
Base-Base interactions energy: -1643.595
where: short stacking energy: -722.672
Base-Backbone interact. energy: -0.546
local terms energy: -812.634120
where:
bonds (distance) C4'-P energy: -150.949
bonds (distance) P-C4' energy: -168.682
flat angles C4'-P-C4' energy: -178.849
flat angles P-C4'-P energy: -111.902
tors. eta vs tors. theta energy: -202.253
Dist. restrs. and SS energy: 1.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -2322.271204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.271204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.326757 (E_RNA)
where:
Base-Base interactions energy: -1582.187
where: short stacking energy: -654.133
Base-Backbone interact. energy: -3.195
local terms energy: -738.944894
where:
bonds (distance) C4'-P energy: -144.648
bonds (distance) P-C4' energy: -141.089
flat angles C4'-P-C4' energy: -161.442
flat angles P-C4'-P energy: -110.767
tors. eta vs tors. theta energy: -180.998
Dist. restrs. and SS energy: 2.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -2202.838616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.838616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.849770 (E_RNA)
where:
Base-Base interactions energy: -1466.085
where: short stacking energy: -620.892
Base-Backbone interact. energy: 1.178
local terms energy: -739.942865
where:
bonds (distance) C4'-P energy: -155.802
bonds (distance) P-C4' energy: -146.227
flat angles C4'-P-C4' energy: -154.276
flat angles P-C4'-P energy: -102.081
tors. eta vs tors. theta energy: -181.557
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: 7, replica: 3
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -2096.296836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.296836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.209995 (E_RNA)
where:
Base-Base interactions energy: -1427.772
where: short stacking energy: -613.841
Base-Backbone interact. energy: 2.932
local terms energy: -673.370083
where:
bonds (distance) C4'-P energy: -142.553
bonds (distance) P-C4' energy: -132.836
flat angles C4'-P-C4' energy: -158.952
flat angles P-C4'-P energy: -73.022
tors. eta vs tors. theta energy: -166.008
Dist. restrs. and SS energy: 1.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -2032.546511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.546511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.466009 (E_RNA)
where:
Base-Base interactions energy: -1379.862
where: short stacking energy: -573.262
Base-Backbone interact. energy: 5.125
local terms energy: -661.728510
where:
bonds (distance) C4'-P energy: -95.337
bonds (distance) P-C4' energy: -139.989
flat angles C4'-P-C4' energy: -159.558
flat angles P-C4'-P energy: -103.327
tors. eta vs tors. theta energy: -163.519
Dist. restrs. and SS energy: 3.919 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -1943.164448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.164448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.463653 (E_RNA)
where:
Base-Base interactions energy: -1281.527
where: short stacking energy: -538.411
Base-Backbone interact. energy: -1.993
local terms energy: -662.943359
where:
bonds (distance) C4'-P energy: -142.415
bonds (distance) P-C4' energy: -136.286
flat angles C4'-P-C4' energy: -147.594
flat angles P-C4'-P energy: -104.306
tors. eta vs tors. theta energy: -132.342
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: 10, replica: 10
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -1784.320129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.320129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.331334 (E_RNA)
where:
Base-Base interactions energy: -1257.665
where: short stacking energy: -516.140
Base-Backbone interact. energy: -2.009
local terms energy: -532.657842
where:
bonds (distance) C4'-P energy: -116.163
bonds (distance) P-C4' energy: -125.209
flat angles C4'-P-C4' energy: -123.725
flat angles P-C4'-P energy: -58.477
tors. eta vs tors. theta energy: -109.084
Dist. restrs. and SS energy: 8.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -2946.397104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2946.397104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2948.227819 (E_RNA)
where:
Base-Base interactions energy: -2086.971
where: short stacking energy: -864.655
Base-Backbone interact. energy: 1.569
local terms energy: -862.825882
where:
bonds (distance) C4'-P energy: -141.911
bonds (distance) P-C4' energy: -154.061
flat angles C4'-P-C4' energy: -178.635
flat angles P-C4'-P energy: -139.110
tors. eta vs tors. theta energy: -249.109
Dist. restrs. and SS energy: 1.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -2812.824260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.824260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.268032 (E_RNA)
where:
Base-Base interactions energy: -1935.654
where: short stacking energy: -808.836
Base-Backbone interact. energy: -2.308
local terms energy: -876.305810
where:
bonds (distance) C4'-P energy: -164.793
bonds (distance) P-C4' energy: -164.140
flat angles C4'-P-C4' energy: -188.067
flat angles P-C4'-P energy: -126.896
tors. eta vs tors. theta energy: -232.410
Dist. restrs. and SS energy: 1.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -2590.972426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.972426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.384163 (E_RNA)
where:
Base-Base interactions energy: -1781.295
where: short stacking energy: -765.492
Base-Backbone interact. energy: -1.342
local terms energy: -809.747213
where:
bonds (distance) C4'-P energy: -150.707
bonds (distance) P-C4' energy: -157.802
flat angles C4'-P-C4' energy: -170.771
flat angles P-C4'-P energy: -104.461
tors. eta vs tors. theta energy: -226.006
Dist. restrs. and SS energy: 1.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -2483.054964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.054964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.480026 (E_RNA)
where:
Base-Base interactions energy: -1694.900
where: short stacking energy: -742.395
Base-Backbone interact. energy: 1.084
local terms energy: -790.663894
where:
bonds (distance) C4'-P energy: -159.220
bonds (distance) P-C4' energy: -150.799
flat angles C4'-P-C4' energy: -160.079
flat angles P-C4'-P energy: -116.298
tors. eta vs tors. theta energy: -204.269
Dist. restrs. and SS energy: 1.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -2384.586206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.586206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.458744 (E_RNA)
where:
Base-Base interactions energy: -1602.580
where: short stacking energy: -688.926
Base-Backbone interact. energy: -3.621
local terms energy: -780.257530
where:
bonds (distance) C4'-P energy: -145.023
bonds (distance) P-C4' energy: -180.395
flat angles C4'-P-C4' energy: -167.403
flat angles P-C4'-P energy: -98.206
tors. eta vs tors. theta energy: -189.230
Dist. restrs. and SS energy: 1.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -2242.971528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.971528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.236809 (E_RNA)
where:
Base-Base interactions energy: -1507.978
where: short stacking energy: -657.811
Base-Backbone interact. energy: -3.907
local terms energy: -733.351858
where:
bonds (distance) C4'-P energy: -136.107
bonds (distance) P-C4' energy: -149.837
flat angles C4'-P-C4' energy: -165.384
flat angles P-C4'-P energy: -89.531
tors. eta vs tors. theta energy: -192.493
Dist. restrs. and SS energy: 2.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -2118.929320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.929320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.531713 (E_RNA)
where:
Base-Base interactions energy: -1455.087
where: short stacking energy: -614.501
Base-Backbone interact. energy: 4.090
local terms energy: -669.534260
where:
bonds (distance) C4'-P energy: -105.445
bonds (distance) P-C4' energy: -152.370
flat angles C4'-P-C4' energy: -141.878
flat angles P-C4'-P energy: -97.332
tors. eta vs tors. theta energy: -172.509
Dist. restrs. and SS energy: 1.602 (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: 3
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -2017.889522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.889522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.060653 (E_RNA)
where:
Base-Base interactions energy: -1364.593
where: short stacking energy: -567.469
Base-Backbone interact. energy: -1.356
local terms energy: -655.111260
where:
bonds (distance) C4'-P energy: -122.941
bonds (distance) P-C4' energy: -128.212
flat angles C4'-P-C4' energy: -157.051
flat angles P-C4'-P energy: -100.024
tors. eta vs tors. theta energy: -146.882
Dist. restrs. and SS energy: 3.171 (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: 8
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -1982.240687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.240687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.777893 (E_RNA)
where:
Base-Base interactions energy: -1356.236
where: short stacking energy: -552.599
Base-Backbone interact. energy: -0.767
local terms energy: -627.774922
where:
bonds (distance) C4'-P energy: -126.273
bonds (distance) P-C4' energy: -132.578
flat angles C4'-P-C4' energy: -132.235
flat angles P-C4'-P energy: -89.280
tors. eta vs tors. theta energy: -147.410
Dist. restrs. and SS energy: 2.537 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -1795.915872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.915872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.703460 (E_RNA)
where:
Base-Base interactions energy: -1198.659
where: short stacking energy: -475.142
Base-Backbone interact. energy: 2.291
local terms energy: -603.335653
where:
bonds (distance) C4'-P energy: -123.481
bonds (distance) P-C4' energy: -114.384
flat angles C4'-P-C4' energy: -138.761
flat angles P-C4'-P energy: -95.108
tors. eta vs tors. theta energy: -131.602
Dist. restrs. and SS energy: 3.788 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -2928.869285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2928.869285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2929.975454 (E_RNA)
where:
Base-Base interactions energy: -2063.317
where: short stacking energy: -877.184
Base-Backbone interact. energy: -2.304
local terms energy: -864.354569
where:
bonds (distance) C4'-P energy: -158.573
bonds (distance) P-C4' energy: -160.103
flat angles C4'-P-C4' energy: -177.375
flat angles P-C4'-P energy: -113.420
tors. eta vs tors. theta energy: -254.884
Dist. restrs. and SS energy: 1.106 (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: 4
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -2782.524867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.524867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.002941 (E_RNA)
where:
Base-Base interactions energy: -1941.040
where: short stacking energy: -820.836
Base-Backbone interact. energy: 5.787
local terms energy: -848.750102
where:
bonds (distance) C4'-P energy: -167.128
bonds (distance) P-C4' energy: -152.461
flat angles C4'-P-C4' energy: -177.887
flat angles P-C4'-P energy: -124.407
tors. eta vs tors. theta energy: -226.868
Dist. restrs. and SS energy: 1.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -2572.243315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.243315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.727686 (E_RNA)
where:
Base-Base interactions energy: -1749.701
where: short stacking energy: -727.343
Base-Backbone interact. energy: 0.954
local terms energy: -824.980809
where:
bonds (distance) C4'-P energy: -166.196
bonds (distance) P-C4' energy: -161.801
flat angles C4'-P-C4' energy: -166.177
flat angles P-C4'-P energy: -125.804
tors. eta vs tors. theta energy: -205.003
Dist. restrs. and SS energy: 1.484 (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: 7
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -2464.707189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.707189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.078811 (E_RNA)
where:
Base-Base interactions energy: -1671.211
where: short stacking energy: -724.501
Base-Backbone interact. energy: -1.898
local terms energy: -792.970046
where:
bonds (distance) C4'-P energy: -142.413
bonds (distance) P-C4' energy: -142.194
flat angles C4'-P-C4' energy: -172.366
flat angles P-C4'-P energy: -124.155
tors. eta vs tors. theta energy: -211.842
Dist. restrs. and SS energy: 1.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -2348.830441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.830441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.765116 (E_RNA)
where:
Base-Base interactions energy: -1584.243
where: short stacking energy: -680.952
Base-Backbone interact. energy: 0.653
local terms energy: -768.175239
where:
bonds (distance) C4'-P energy: -159.297
bonds (distance) P-C4' energy: -159.494
flat angles C4'-P-C4' energy: -147.557
flat angles P-C4'-P energy: -102.764
tors. eta vs tors. theta energy: -199.062
Dist. restrs. and SS energy: 2.935 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -2206.439798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.439798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.391591 (E_RNA)
where:
Base-Base interactions energy: -1515.043
where: short stacking energy: -658.214
Base-Backbone interact. energy: 6.303
local terms energy: -699.652429
where:
bonds (distance) C4'-P energy: -131.445
bonds (distance) P-C4' energy: -119.762
flat angles C4'-P-C4' energy: -161.409
flat angles P-C4'-P energy: -91.976
tors. eta vs tors. theta energy: -195.061
Dist. restrs. and SS energy: 1.952 (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: 2
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -2132.598270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.598270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.565063 (E_RNA)
where:
Base-Base interactions energy: -1434.381
where: short stacking energy: -614.443
Base-Backbone interact. energy: -3.132
local terms energy: -699.052633
where:
bonds (distance) C4'-P energy: -126.598
bonds (distance) P-C4' energy: -140.531
flat angles C4'-P-C4' energy: -159.034
flat angles P-C4'-P energy: -100.533
tors. eta vs tors. theta energy: -172.357
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: 8, replica: 8
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -2051.000909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.000909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.586363 (E_RNA)
where:
Base-Base interactions energy: -1416.466
where: short stacking energy: -605.972
Base-Backbone interact. energy: 12.244
local terms energy: -648.364822
where:
bonds (distance) C4'-P energy: -124.544
bonds (distance) P-C4' energy: -127.819
flat angles C4'-P-C4' energy: -135.124
flat angles P-C4'-P energy: -98.300
tors. eta vs tors. theta energy: -162.579
Dist. restrs. and SS energy: 1.585 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -1974.256191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.256191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.835359 (E_RNA)
where:
Base-Base interactions energy: -1354.196
where: short stacking energy: -553.006
Base-Backbone interact. energy: 1.682
local terms energy: -626.321695
where:
bonds (distance) C4'-P energy: -112.717
bonds (distance) P-C4' energy: -145.659
flat angles C4'-P-C4' energy: -140.128
flat angles P-C4'-P energy: -79.034
tors. eta vs tors. theta energy: -148.783
Dist. restrs. and SS energy: 4.579 (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: 10
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -1840.947609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.947609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.588742 (E_RNA)
where:
Base-Base interactions energy: -1255.497
where: short stacking energy: -530.817
Base-Backbone interact. energy: 5.855
local terms energy: -596.946093
where:
bonds (distance) C4'-P energy: -115.326
bonds (distance) P-C4' energy: -136.760
flat angles C4'-P-C4' energy: -131.864
flat angles P-C4'-P energy: -79.855
tors. eta vs tors. theta energy: -133.141
Dist. restrs. and SS energy: 5.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -2882.692351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2882.692351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2884.089718 (E_RNA)
where:
Base-Base interactions energy: -2010.037
where: short stacking energy: -820.431
Base-Backbone interact. energy: -2.057
local terms energy: -871.996541
where:
bonds (distance) C4'-P energy: -167.683
bonds (distance) P-C4' energy: -156.666
flat angles C4'-P-C4' energy: -181.024
flat angles P-C4'-P energy: -128.000
tors. eta vs tors. theta energy: -238.624
Dist. restrs. and SS energy: 1.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -2809.964131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.964131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.055270 (E_RNA)
where:
Base-Base interactions energy: -1983.296
where: short stacking energy: -811.229
Base-Backbone interact. energy: 1.058
local terms energy: -828.816547
where:
bonds (distance) C4'-P energy: -157.444
bonds (distance) P-C4' energy: -144.371
flat angles C4'-P-C4' energy: -174.555
flat angles P-C4'-P energy: -120.568
tors. eta vs tors. theta energy: -231.878
Dist. restrs. and SS energy: 1.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -2559.766227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.766227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.860855 (E_RNA)
where:
Base-Base interactions energy: -1763.786
where: short stacking energy: -783.120
Base-Backbone interact. energy: 2.948
local terms energy: -801.022401
where:
bonds (distance) C4'-P energy: -149.922
bonds (distance) P-C4' energy: -134.057
flat angles C4'-P-C4' energy: -174.819
flat angles P-C4'-P energy: -112.350
tors. eta vs tors. theta energy: -229.875
Dist. restrs. and SS energy: 2.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -2511.885873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.885873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.978971 (E_RNA)
where:
Base-Base interactions energy: -1704.476
where: short stacking energy: -726.728
Base-Backbone interact. energy: -2.689
local terms energy: -806.814311
where:
bonds (distance) C4'-P energy: -147.727
bonds (distance) P-C4' energy: -164.694
flat angles C4'-P-C4' energy: -172.275
flat angles P-C4'-P energy: -116.455
tors. eta vs tors. theta energy: -205.663
Dist. restrs. and SS energy: 2.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -2449.460956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.460956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.748859 (E_RNA)
where:
Base-Base interactions energy: -1708.834
where: short stacking energy: -697.223
Base-Backbone interact. energy: -0.550
local terms energy: -741.364399
where:
bonds (distance) C4'-P energy: -130.382
bonds (distance) P-C4' energy: -152.347
flat angles C4'-P-C4' energy: -158.632
flat angles P-C4'-P energy: -96.038
tors. eta vs tors. theta energy: -203.966
Dist. restrs. and SS energy: 1.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -2154.494370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.494370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.838693 (E_RNA)
where:
Base-Base interactions energy: -1426.798
where: short stacking energy: -646.190
Base-Backbone interact. energy: 0.066
local terms energy: -731.106443
where:
bonds (distance) C4'-P energy: -130.093
bonds (distance) P-C4' energy: -159.722
flat angles C4'-P-C4' energy: -158.906
flat angles P-C4'-P energy: -101.875
tors. eta vs tors. theta energy: -180.511
Dist. restrs. and SS energy: 3.344 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -2146.473547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.473547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.207212 (E_RNA)
where:
Base-Base interactions energy: -1433.435
where: short stacking energy: -635.619
Base-Backbone interact. energy: 1.443
local terms energy: -717.215387
where:
bonds (distance) C4'-P energy: -135.456
bonds (distance) P-C4' energy: -154.544
flat angles C4'-P-C4' energy: -140.903
flat angles P-C4'-P energy: -101.610
tors. eta vs tors. theta energy: -184.702
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: 8, replica: 8
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -2020.089586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.089586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.060230 (E_RNA)
where:
Base-Base interactions energy: -1368.438
where: short stacking energy: -594.993
Base-Backbone interact. energy: 4.921
local terms energy: -659.542340
where:
bonds (distance) C4'-P energy: -139.910
bonds (distance) P-C4' energy: -140.847
flat angles C4'-P-C4' energy: -156.302
flat angles P-C4'-P energy: -66.910
tors. eta vs tors. theta energy: -155.574
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: 9, replica: 3
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -1937.364666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.364666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.301388 (E_RNA)
where:
Base-Base interactions energy: -1331.969
where: short stacking energy: -543.763
Base-Backbone interact. energy: -0.961
local terms energy: -607.371183
where:
bonds (distance) C4'-P energy: -122.442
bonds (distance) P-C4' energy: -115.074
flat angles C4'-P-C4' energy: -142.465
flat angles P-C4'-P energy: -94.801
tors. eta vs tors. theta energy: -132.590
Dist. restrs. and SS energy: 2.937 (S_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: 272
Temperature: 1.350000
Total energy: -1779.235034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.235034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.749457 (E_RNA)
where:
Base-Base interactions energy: -1225.198
where: short stacking energy: -500.183
Base-Backbone interact. energy: 6.198
local terms energy: -562.749570
where:
bonds (distance) C4'-P energy: -96.962
bonds (distance) P-C4' energy: -143.796
flat angles C4'-P-C4' energy: -119.993
flat angles P-C4'-P energy: -87.205
tors. eta vs tors. theta energy: -114.794
Dist. restrs. and SS energy: 2.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -2971.631127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2971.631127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2972.873630 (E_RNA)
where:
Base-Base interactions energy: -2104.726
where: short stacking energy: -856.240
Base-Backbone interact. energy: -3.913
local terms energy: -864.234520
where:
bonds (distance) C4'-P energy: -157.999
bonds (distance) P-C4' energy: -163.054
flat angles C4'-P-C4' energy: -184.965
flat angles P-C4'-P energy: -121.133
tors. eta vs tors. theta energy: -237.084
Dist. restrs. and SS energy: 1.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -2814.184146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.184146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2815.321569 (E_RNA)
where:
Base-Base interactions energy: -1971.371
where: short stacking energy: -839.373
Base-Backbone interact. energy: 4.519
local terms energy: -848.469771
where:
bonds (distance) C4'-P energy: -147.506
bonds (distance) P-C4' energy: -152.086
flat angles C4'-P-C4' energy: -190.922
flat angles P-C4'-P energy: -125.186
tors. eta vs tors. theta energy: -232.770
Dist. restrs. and SS energy: 1.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -2534.950194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.950194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.162698 (E_RNA)
where:
Base-Base interactions energy: -1730.622
where: short stacking energy: -749.549
Base-Backbone interact. energy: -0.644
local terms energy: -804.896043
where:
bonds (distance) C4'-P energy: -143.555
bonds (distance) P-C4' energy: -143.781
flat angles C4'-P-C4' energy: -168.822
flat angles P-C4'-P energy: -115.862
tors. eta vs tors. theta energy: -232.876
Dist. restrs. and SS energy: 1.213 (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: 273
Temperature: 1.050000
Total energy: -2486.915903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.915903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.720548 (E_RNA)
where:
Base-Base interactions energy: -1712.383
where: short stacking energy: -716.470
Base-Backbone interact. energy: -1.044
local terms energy: -777.293582
where:
bonds (distance) C4'-P energy: -143.175
bonds (distance) P-C4' energy: -171.596
flat angles C4'-P-C4' energy: -171.205
flat angles P-C4'-P energy: -97.492
tors. eta vs tors. theta energy: -193.826
Dist. restrs. and SS energy: 3.805 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -2413.203725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.203725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.238295 (E_RNA)
where:
Base-Base interactions energy: -1663.208
where: short stacking energy: -716.310
Base-Backbone interact. energy: -2.522
local terms energy: -749.507984
where:
bonds (distance) C4'-P energy: -148.071
bonds (distance) P-C4' energy: -138.532
flat angles C4'-P-C4' energy: -163.913
flat angles P-C4'-P energy: -112.962
tors. eta vs tors. theta energy: -186.029
Dist. restrs. and SS energy: 2.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -2218.487344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.487344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.361859 (E_RNA)
where:
Base-Base interactions energy: -1487.784
where: short stacking energy: -631.374
Base-Backbone interact. energy: 9.678
local terms energy: -742.255970
where:
bonds (distance) C4'-P energy: -142.560
bonds (distance) P-C4' energy: -134.611
flat angles C4'-P-C4' energy: -172.440
flat angles P-C4'-P energy: -112.681
tors. eta vs tors. theta energy: -179.964
Dist. restrs. and SS energy: 1.875 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -2159.998235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.998235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.531328 (E_RNA)
where:
Base-Base interactions energy: -1467.783
where: short stacking energy: -649.285
Base-Backbone interact. energy: -2.583
local terms energy: -691.165317
where:
bonds (distance) C4'-P energy: -120.247
bonds (distance) P-C4' energy: -143.727
flat angles C4'-P-C4' energy: -149.492
flat angles P-C4'-P energy: -93.788
tors. eta vs tors. theta energy: -183.912
Dist. restrs. and SS energy: 1.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -2028.397727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.397727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.997460 (E_RNA)
where:
Base-Base interactions energy: -1362.521
where: short stacking energy: -549.543
Base-Backbone interact. energy: -3.534
local terms energy: -663.942581
where:
bonds (distance) C4'-P energy: -119.566
bonds (distance) P-C4' energy: -142.599
flat angles C4'-P-C4' energy: -145.881
flat angles P-C4'-P energy: -102.182
tors. eta vs tors. theta energy: -153.715
Dist. restrs. and SS energy: 1.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -1961.178469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.178469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.437998 (E_RNA)
where:
Base-Base interactions energy: -1325.990
where: short stacking energy: -568.127
Base-Backbone interact. energy: 3.242
local terms energy: -641.689122
where:
bonds (distance) C4'-P energy: -122.064
bonds (distance) P-C4' energy: -121.485
flat angles C4'-P-C4' energy: -157.450
flat angles P-C4'-P energy: -99.999
tors. eta vs tors. theta energy: -140.691
Dist. restrs. and SS energy: 3.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -1798.554767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.554767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.284288 (E_RNA)
where:
Base-Base interactions energy: -1216.292
where: short stacking energy: -498.730
Base-Backbone interact. energy: 1.788
local terms energy: -587.781223
where:
bonds (distance) C4'-P energy: -128.540
bonds (distance) P-C4' energy: -132.043
flat angles C4'-P-C4' energy: -120.883
flat angles P-C4'-P energy: -75.320
tors. eta vs tors. theta energy: -130.995
Dist. restrs. and SS energy: 3.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -2947.037645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2947.037645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2948.706462 (E_RNA)
where:
Base-Base interactions energy: -2078.547
where: short stacking energy: -835.763
Base-Backbone interact. energy: -4.898
local terms energy: -865.261361
where:
bonds (distance) C4'-P energy: -145.328
bonds (distance) P-C4' energy: -159.299
flat angles C4'-P-C4' energy: -179.508
flat angles P-C4'-P energy: -135.075
tors. eta vs tors. theta energy: -246.051
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: 2, replica: 4
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -2817.661715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.661715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2819.116337 (E_RNA)
where:
Base-Base interactions energy: -1930.802
where: short stacking energy: -793.785
Base-Backbone interact. energy: -2.799
local terms energy: -885.514709
where:
bonds (distance) C4'-P energy: -161.466
bonds (distance) P-C4' energy: -161.161
flat angles C4'-P-C4' energy: -195.498
flat angles P-C4'-P energy: -121.388
tors. eta vs tors. theta energy: -246.001
Dist. restrs. and SS energy: 1.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -2561.763992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.763992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.724510 (E_RNA)
where:
Base-Base interactions energy: -1731.013
where: short stacking energy: -760.538
Base-Backbone interact. energy: -5.550
local terms energy: -826.160789
where:
bonds (distance) C4'-P energy: -147.960
bonds (distance) P-C4' energy: -162.769
flat angles C4'-P-C4' energy: -166.397
flat angles P-C4'-P energy: -116.553
tors. eta vs tors. theta energy: -232.481
Dist. restrs. and SS energy: 0.961 (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: 6
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -2458.606884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.606884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.516504 (E_RNA)
where:
Base-Base interactions energy: -1672.422
where: short stacking energy: -727.886
Base-Backbone interact. energy: -2.318
local terms energy: -785.776738
where:
bonds (distance) C4'-P energy: -137.695
bonds (distance) P-C4' energy: -154.745
flat angles C4'-P-C4' energy: -174.460
flat angles P-C4'-P energy: -109.685
tors. eta vs tors. theta energy: -209.192
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: 5, replica: 5
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -2399.350969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.350969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.000365 (E_RNA)
where:
Base-Base interactions energy: -1630.397
where: short stacking energy: -716.849
Base-Backbone interact. energy: -2.582
local terms energy: -768.021916
where:
bonds (distance) C4'-P energy: -118.954
bonds (distance) P-C4' energy: -153.194
flat angles C4'-P-C4' energy: -179.065
flat angles P-C4'-P energy: -109.815
tors. eta vs tors. theta energy: -206.993
Dist. restrs. and SS energy: 1.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -2237.042725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.042725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.447794 (E_RNA)
where:
Base-Base interactions energy: -1504.251
where: short stacking energy: -660.158
Base-Backbone interact. energy: 0.608
local terms energy: -735.804269
where:
bonds (distance) C4'-P energy: -136.804
bonds (distance) P-C4' energy: -159.044
flat angles C4'-P-C4' energy: -162.588
flat angles P-C4'-P energy: -100.173
tors. eta vs tors. theta energy: -177.195
Dist. restrs. and SS energy: 2.405 (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: 2
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -2091.078070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.078070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.705455 (E_RNA)
where:
Base-Base interactions energy: -1407.324
where: short stacking energy: -604.819
Base-Backbone interact. energy: 0.056
local terms energy: -686.436911
where:
bonds (distance) C4'-P energy: -125.424
bonds (distance) P-C4' energy: -138.253
flat angles C4'-P-C4' energy: -150.395
flat angles P-C4'-P energy: -97.933
tors. eta vs tors. theta energy: -174.432
Dist. restrs. and SS energy: 2.627 (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: 3
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -2032.016929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.016929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.051675 (E_RNA)
where:
Base-Base interactions energy: -1379.314
where: short stacking energy: -559.638
Base-Backbone interact. energy: 3.127
local terms energy: -657.864274
where:
bonds (distance) C4'-P energy: -142.093
bonds (distance) P-C4' energy: -140.297
flat angles C4'-P-C4' energy: -141.724
flat angles P-C4'-P energy: -97.805
tors. eta vs tors. theta energy: -135.946
Dist. restrs. and SS energy: 2.035 (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: 8
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -1947.446490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.446490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.378369 (E_RNA)
where:
Base-Base interactions energy: -1330.200
where: short stacking energy: -541.890
Base-Backbone interact. energy: -1.601
local terms energy: -618.577354
where:
bonds (distance) C4'-P energy: -128.475
bonds (distance) P-C4' energy: -131.423
flat angles C4'-P-C4' energy: -153.823
flat angles P-C4'-P energy: -65.504
tors. eta vs tors. theta energy: -139.352
Dist. restrs. and SS energy: 2.932 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -1877.040795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.040795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.861833 (E_RNA)
where:
Base-Base interactions energy: -1261.656
where: short stacking energy: -535.769
Base-Backbone interact. energy: 0.119
local terms energy: -620.324440
where:
bonds (distance) C4'-P energy: -141.287
bonds (distance) P-C4' energy: -122.858
flat angles C4'-P-C4' energy: -128.252
flat angles P-C4'-P energy: -86.464
tors. eta vs tors. theta energy: -141.463
Dist. restrs. and SS energy: 4.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -2979.537936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2979.537936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2980.088297 (E_RNA)
where:
Base-Base interactions energy: -2086.412
where: short stacking energy: -840.233
Base-Backbone interact. energy: -2.355
local terms energy: -891.321915
where:
bonds (distance) C4'-P energy: -166.321
bonds (distance) P-C4' energy: -170.419
flat angles C4'-P-C4' energy: -182.111
flat angles P-C4'-P energy: -127.187
tors. eta vs tors. theta energy: -245.284
Dist. restrs. and SS energy: 0.550 (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: 4
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -2845.258419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2845.258419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2846.878255 (E_RNA)
where:
Base-Base interactions energy: -1993.052
where: short stacking energy: -806.584
Base-Backbone interact. energy: 1.706
local terms energy: -855.532175
where:
bonds (distance) C4'-P energy: -154.377
bonds (distance) P-C4' energy: -166.007
flat angles C4'-P-C4' energy: -174.378
flat angles P-C4'-P energy: -127.870
tors. eta vs tors. theta energy: -232.900
Dist. restrs. and SS energy: 1.620 (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: 7
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -2610.514231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.514231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.306032 (E_RNA)
where:
Base-Base interactions energy: -1771.738
where: short stacking energy: -787.932
Base-Backbone interact. energy: -2.461
local terms energy: -838.107175
where:
bonds (distance) C4'-P energy: -143.949
bonds (distance) P-C4' energy: -161.707
flat angles C4'-P-C4' energy: -187.855
flat angles P-C4'-P energy: -118.227
tors. eta vs tors. theta energy: -226.369
Dist. restrs. and SS energy: 1.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -2445.595114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.595114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.394221 (E_RNA)
where:
Base-Base interactions energy: -1663.874
where: short stacking energy: -709.530
Base-Backbone interact. energy: -1.601
local terms energy: -782.919249
where:
bonds (distance) C4'-P energy: -158.055
bonds (distance) P-C4' energy: -131.479
flat angles C4'-P-C4' energy: -159.599
flat angles P-C4'-P energy: -120.250
tors. eta vs tors. theta energy: -213.535
Dist. restrs. and SS energy: 2.799 (S_DIST_RNA)
chem. 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: -2407.632826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.632826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.716083 (E_RNA)
where:
Base-Base interactions energy: -1638.760
where: short stacking energy: -710.171
Base-Backbone interact. energy: -3.373
local terms energy: -767.583587
where:
bonds (distance) C4'-P energy: -133.907
bonds (distance) P-C4' energy: -153.656
flat angles C4'-P-C4' energy: -158.868
flat angles P-C4'-P energy: -116.648
tors. eta vs tors. theta energy: -204.504
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: 6, replica: 1
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -2202.976899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.976899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.349564 (E_RNA)
where:
Base-Base interactions energy: -1501.058
where: short stacking energy: -655.973
Base-Backbone interact. energy: -3.339
local terms energy: -699.951888
where:
bonds (distance) C4'-P energy: -126.279
bonds (distance) P-C4' energy: -147.485
flat angles C4'-P-C4' energy: -157.141
flat angles P-C4'-P energy: -102.051
tors. eta vs tors. theta energy: -166.995
Dist. restrs. and SS energy: 1.373 (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: 275
Temperature: 1.200000
Total energy: -2108.041939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.041939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.061111 (E_RNA)
where:
Base-Base interactions energy: -1408.952
where: short stacking energy: -608.515
Base-Backbone interact. energy: -2.438
local terms energy: -698.670888
where:
bonds (distance) C4'-P energy: -126.635
bonds (distance) P-C4' energy: -142.289
flat angles C4'-P-C4' energy: -162.835
flat angles P-C4'-P energy: -87.643
tors. eta vs tors. theta energy: -179.269
Dist. restrs. and SS energy: 2.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -2074.300362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.300362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.901261 (E_RNA)
where:
Base-Base interactions energy: -1399.894
where: short stacking energy: -603.597
Base-Backbone interact. energy: 3.646
local terms energy: -681.652756
where:
bonds (distance) C4'-P energy: -146.747
bonds (distance) P-C4' energy: -125.479
flat angles C4'-P-C4' energy: -154.800
flat angles P-C4'-P energy: -97.679
tors. eta vs tors. theta energy: -156.947
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: 9, replica: 3
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -1966.587943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.587943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.782027 (E_RNA)
where:
Base-Base interactions energy: -1323.194
where: short stacking energy: -559.475
Base-Backbone interact. energy: 0.761
local terms energy: -646.349288
where:
bonds (distance) C4'-P energy: -123.718
bonds (distance) P-C4' energy: -138.862
flat angles C4'-P-C4' energy: -149.751
flat angles P-C4'-P energy: -89.305
tors. eta vs tors. theta energy: -144.713
Dist. restrs. and SS energy: 2.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -1845.747693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.747693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.503441 (E_RNA)
where:
Base-Base interactions energy: -1242.975
where: short stacking energy: -510.744
Base-Backbone interact. energy: 3.306
local terms energy: -609.834533
where:
bonds (distance) C4'-P energy: -113.831
bonds (distance) P-C4' energy: -128.149
flat angles C4'-P-C4' energy: -144.040
flat angles P-C4'-P energy: -94.776
tors. eta vs tors. theta energy: -129.038
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: 1, replica: 9
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -2934.853021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2934.853021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2936.485704 (E_RNA)
where:
Base-Base interactions energy: -2034.878
where: short stacking energy: -844.558
Base-Backbone interact. energy: -1.698
local terms energy: -899.909419
where:
bonds (distance) C4'-P energy: -161.541
bonds (distance) P-C4' energy: -160.401
flat angles C4'-P-C4' energy: -189.186
flat angles P-C4'-P energy: -131.713
tors. eta vs tors. theta energy: -257.068
Dist. restrs. and SS energy: 1.633 (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: 4
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -2866.113819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2866.113819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2867.897093 (E_RNA)
where:
Base-Base interactions energy: -2008.304
where: short stacking energy: -808.614
Base-Backbone interact. energy: 0.683
local terms energy: -860.275702
where:
bonds (distance) C4'-P energy: -158.436
bonds (distance) P-C4' energy: -150.487
flat angles C4'-P-C4' energy: -180.953
flat angles P-C4'-P energy: -122.231
tors. eta vs tors. theta energy: -248.168
Dist. restrs. and SS energy: 1.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -2629.432437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.432437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.430904 (E_RNA)
where:
Base-Base interactions energy: -1795.938
where: short stacking energy: -780.117
Base-Backbone interact. energy: 0.766
local terms energy: -836.258741
where:
bonds (distance) C4'-P energy: -150.380
bonds (distance) P-C4' energy: -163.042
flat angles C4'-P-C4' energy: -181.943
flat angles P-C4'-P energy: -122.240
tors. eta vs tors. theta energy: -218.654
Dist. restrs. and SS energy: 1.998 (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: 276
Temperature: 1.050000
Total energy: -2464.160958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.160958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.731044 (E_RNA)
where:
Base-Base interactions energy: -1693.963
where: short stacking energy: -728.614
Base-Backbone interact. energy: -2.886
local terms energy: -768.882129
where:
bonds (distance) C4'-P energy: -146.497
bonds (distance) P-C4' energy: -140.291
flat angles C4'-P-C4' energy: -166.142
flat angles P-C4'-P energy: -109.085
tors. eta vs tors. theta energy: -206.867
Dist. restrs. and SS energy: 1.570 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -2430.135334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.135334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.713789 (E_RNA)
where:
Base-Base interactions energy: -1666.678
where: short stacking energy: -709.091
Base-Backbone interact. energy: -2.097
local terms energy: -762.938852
where:
bonds (distance) C4'-P energy: -140.853
bonds (distance) P-C4' energy: -141.458
flat angles C4'-P-C4' energy: -176.411
flat angles P-C4'-P energy: -110.799
tors. eta vs tors. theta energy: -193.418
Dist. restrs. and SS energy: 1.578 (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: 1
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -2180.999360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.999360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.217300 (E_RNA)
where:
Base-Base interactions energy: -1445.622
where: short stacking energy: -628.135
Base-Backbone interact. energy: -2.451
local terms energy: -735.143823
where:
bonds (distance) C4'-P energy: -140.904
bonds (distance) P-C4' energy: -150.469
flat angles C4'-P-C4' energy: -152.468
flat angles P-C4'-P energy: -111.083
tors. eta vs tors. theta energy: -180.219
Dist. restrs. and SS energy: 2.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -2116.690673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.690673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.142623 (E_RNA)
where:
Base-Base interactions energy: -1447.090
where: short stacking energy: -607.010
Base-Backbone interact. energy: 0.929
local terms energy: -673.982167
where:
bonds (distance) C4'-P energy: -127.338
bonds (distance) P-C4' energy: -119.360
flat angles C4'-P-C4' energy: -158.685
flat angles P-C4'-P energy: -87.508
tors. eta vs tors. theta energy: -181.092
Dist. restrs. and SS energy: 3.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -2048.450988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.450988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.481427 (E_RNA)
where:
Base-Base interactions energy: -1413.493
where: short stacking energy: -571.013
Base-Backbone interact. energy: 4.214
local terms energy: -643.202039
where:
bonds (distance) C4'-P energy: -120.975
bonds (distance) P-C4' energy: -146.048
flat angles C4'-P-C4' energy: -145.224
flat angles P-C4'-P energy: -78.202
tors. eta vs tors. theta energy: -152.753
Dist. restrs. and SS energy: 4.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -1945.789167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.789167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.898834 (E_RNA)
where:
Base-Base interactions energy: -1317.866
where: short stacking energy: -530.985
Base-Backbone interact. energy: -0.481
local terms energy: -629.551448
where:
bonds (distance) C4'-P energy: -113.275
bonds (distance) P-C4' energy: -141.238
flat angles C4'-P-C4' energy: -147.129
flat angles P-C4'-P energy: -96.293
tors. eta vs tors. theta energy: -131.617
Dist. restrs. and SS energy: 2.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -1844.628940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.628940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.320257 (E_RNA)
where:
Base-Base interactions energy: -1235.751
where: short stacking energy: -532.064
Base-Backbone interact. energy: -0.447
local terms energy: -614.122870
where:
bonds (distance) C4'-P energy: -126.827
bonds (distance) P-C4' energy: -151.540
flat angles C4'-P-C4' energy: -117.073
flat angles P-C4'-P energy: -86.078
tors. eta vs tors. theta energy: -132.606
Dist. restrs. and SS energy: 5.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -2957.443642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2957.443642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2958.887007 (E_RNA)
where:
Base-Base interactions energy: -2069.571
where: short stacking energy: -861.590
Base-Backbone interact. energy: 2.006
local terms energy: -891.322282
where:
bonds (distance) C4'-P energy: -162.571
bonds (distance) P-C4' energy: -161.181
flat angles C4'-P-C4' energy: -193.405
flat angles P-C4'-P energy: -129.516
tors. eta vs tors. theta energy: -244.649
Dist. restrs. and SS energy: 1.443 (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: 4
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -2817.301574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.301574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2819.997761 (E_RNA)
where:
Base-Base interactions energy: -1990.793
where: short stacking energy: -813.258
Base-Backbone interact. energy: -0.202
local terms energy: -829.002682
where:
bonds (distance) C4'-P energy: -152.492
bonds (distance) P-C4' energy: -144.769
flat angles C4'-P-C4' energy: -178.498
flat angles P-C4'-P energy: -120.584
tors. eta vs tors. theta energy: -232.659
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: 3, replica: 7
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -2617.997025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.997025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.625786 (E_RNA)
where:
Base-Base interactions energy: -1791.029
where: short stacking energy: -783.698
Base-Backbone interact. energy: -1.581
local terms energy: -826.016125
where:
bonds (distance) C4'-P energy: -154.271
bonds (distance) P-C4' energy: -146.734
flat angles C4'-P-C4' energy: -164.108
flat angles P-C4'-P energy: -130.929
tors. eta vs tors. theta energy: -229.975
Dist. restrs. and SS energy: 0.629 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -2484.364101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.364101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.045438 (E_RNA)
where:
Base-Base interactions energy: -1692.557
where: short stacking energy: -735.432
Base-Backbone interact. energy: -2.436
local terms energy: -792.053130
where:
bonds (distance) C4'-P energy: -133.277
bonds (distance) P-C4' energy: -160.485
flat angles C4'-P-C4' energy: -173.025
flat angles P-C4'-P energy: -120.142
tors. eta vs tors. theta energy: -205.124
Dist. restrs. and SS energy: 2.681 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -2415.510441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.510441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.700218 (E_RNA)
where:
Base-Base interactions energy: -1663.594
where: short stacking energy: -708.230
Base-Backbone interact. energy: 2.062
local terms energy: -756.168077
where:
bonds (distance) C4'-P energy: -128.083
bonds (distance) P-C4' energy: -145.416
flat angles C4'-P-C4' energy: -160.650
flat angles P-C4'-P energy: -112.115
tors. eta vs tors. theta energy: -209.904
Dist. restrs. and SS energy: 2.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -2177.112848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.112848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.731689 (E_RNA)
where:
Base-Base interactions energy: -1458.307
where: short stacking energy: -638.324
Base-Backbone interact. energy: -2.948
local terms energy: -718.477079
where:
bonds (distance) C4'-P energy: -145.299
bonds (distance) P-C4' energy: -147.823
flat angles C4'-P-C4' energy: -152.074
flat angles P-C4'-P energy: -107.077
tors. eta vs tors. theta energy: -166.204
Dist. restrs. and SS energy: 2.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -2057.383622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.383622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.449471 (E_RNA)
where:
Base-Base interactions energy: -1387.691
where: short stacking energy: -605.782
Base-Backbone interact. energy: 0.894
local terms energy: -672.652761
where:
bonds (distance) C4'-P energy: -125.102
bonds (distance) P-C4' energy: -135.613
flat angles C4'-P-C4' energy: -164.942
flat angles P-C4'-P energy: -78.040
tors. eta vs tors. theta energy: -168.955
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: 8, replica: 2
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -2045.574605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.574605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.362967 (E_RNA)
where:
Base-Base interactions energy: -1360.750
where: short stacking energy: -595.120
Base-Backbone interact. energy: -2.538
local terms energy: -685.074651
where:
bonds (distance) C4'-P energy: -147.158
bonds (distance) P-C4' energy: -139.034
flat angles C4'-P-C4' energy: -148.168
flat angles P-C4'-P energy: -80.875
tors. eta vs tors. theta energy: -169.840
Dist. restrs. and SS energy: 2.788 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -1939.667290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.667290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.668188 (E_RNA)
where:
Base-Base interactions energy: -1334.215
where: short stacking energy: -563.435
Base-Backbone interact. energy: -4.643
local terms energy: -603.810680
where:
bonds (distance) C4'-P energy: -128.266
bonds (distance) P-C4' energy: -123.823
flat angles C4'-P-C4' energy: -141.462
flat angles P-C4'-P energy: -67.825
tors. eta vs tors. theta energy: -142.435
Dist. restrs. and SS energy: 3.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -1831.913947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.913947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.802957 (E_RNA)
where:
Base-Base interactions energy: -1273.924
where: short stacking energy: -535.169
Base-Backbone interact. energy: -0.452
local terms energy: -559.427883
where:
bonds (distance) C4'-P energy: -115.070
bonds (distance) P-C4' energy: -124.575
flat angles C4'-P-C4' energy: -121.538
flat angles P-C4'-P energy: -73.705
tors. eta vs tors. theta energy: -124.540
Dist. restrs. and SS energy: 1.889 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -2935.775769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2935.775769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2936.903085 (E_RNA)
where:
Base-Base interactions energy: -2063.224
where: short stacking energy: -834.669
Base-Backbone interact. energy: -2.284
local terms energy: -871.394679
where:
bonds (distance) C4'-P energy: -159.377
bonds (distance) P-C4' energy: -167.401
flat angles C4'-P-C4' energy: -184.745
flat angles P-C4'-P energy: -121.565
tors. eta vs tors. theta energy: -238.307
Dist. restrs. and SS energy: 1.127 (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: 4
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -2805.663217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.663217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.712746 (E_RNA)
where:
Base-Base interactions energy: -1932.752
where: short stacking energy: -789.237
Base-Backbone interact. energy: -1.080
local terms energy: -873.881454
where:
bonds (distance) C4'-P energy: -158.670
bonds (distance) P-C4' energy: -156.495
flat angles C4'-P-C4' energy: -185.836
flat angles P-C4'-P energy: -132.394
tors. eta vs tors. theta energy: -240.487
Dist. restrs. and SS energy: 2.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -2557.098283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.098283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.064088 (E_RNA)
where:
Base-Base interactions energy: -1768.773
where: short stacking energy: -745.105
Base-Backbone interact. energy: -1.787
local terms energy: -788.505046
where:
bonds (distance) C4'-P energy: -160.036
bonds (distance) P-C4' energy: -147.488
flat angles C4'-P-C4' energy: -156.196
flat angles P-C4'-P energy: -110.646
tors. eta vs tors. theta energy: -214.138
Dist. restrs. and SS energy: 1.966 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -2498.518112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.518112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.316598 (E_RNA)
where:
Base-Base interactions energy: -1687.121
where: short stacking energy: -755.249
Base-Backbone interact. energy: -0.258
local terms energy: -813.937769
where:
bonds (distance) C4'-P energy: -147.924
bonds (distance) P-C4' energy: -139.853
flat angles C4'-P-C4' energy: -186.892
flat angles P-C4'-P energy: -111.290
tors. eta vs tors. theta energy: -227.979
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: 5, replica: 6
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -2453.283433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.283433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.846929 (E_RNA)
where:
Base-Base interactions energy: -1691.194
where: short stacking energy: -722.081
Base-Backbone interact. energy: 0.984
local terms energy: -764.636205
where:
bonds (distance) C4'-P energy: -141.137
bonds (distance) P-C4' energy: -157.500
flat angles C4'-P-C4' energy: -153.931
flat angles P-C4'-P energy: -97.399
tors. eta vs tors. theta energy: -214.670
Dist. restrs. and SS energy: 1.563 (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: 8
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -2220.102760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.102760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.456053 (E_RNA)
where:
Base-Base interactions energy: -1498.699
where: short stacking energy: -652.140
Base-Backbone interact. energy: -2.843
local terms energy: -720.913994
where:
bonds (distance) C4'-P energy: -135.140
bonds (distance) P-C4' energy: -144.951
flat angles C4'-P-C4' energy: -156.276
flat angles P-C4'-P energy: -99.238
tors. eta vs tors. theta energy: -185.309
Dist. restrs. and SS energy: 2.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -2118.911702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.911702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.008591 (E_RNA)
where:
Base-Base interactions energy: -1416.312
where: short stacking energy: -612.037
Base-Backbone interact. energy: -1.650
local terms energy: -702.046954
where:
bonds (distance) C4'-P energy: -122.741
bonds (distance) P-C4' energy: -143.894
flat angles C4'-P-C4' energy: -163.024
flat angles P-C4'-P energy: -100.411
tors. eta vs tors. theta energy: -171.977
Dist. restrs. and SS energy: 1.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -1991.547262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.547262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.669402 (E_RNA)
where:
Base-Base interactions energy: -1340.910
where: short stacking energy: -548.570
Base-Backbone interact. energy: -2.532
local terms energy: -650.227585
where:
bonds (distance) C4'-P energy: -117.432
bonds (distance) P-C4' energy: -133.174
flat angles C4'-P-C4' energy: -147.732
flat angles P-C4'-P energy: -99.855
tors. eta vs tors. theta energy: -152.035
Dist. restrs. and SS energy: 2.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -1994.764382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.764382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.429766 (E_RNA)
where:
Base-Base interactions energy: -1325.882
where: short stacking energy: -546.216
Base-Backbone interact. energy: 5.519
local terms energy: -678.066942
where:
bonds (distance) C4'-P energy: -128.223
bonds (distance) P-C4' energy: -129.054
flat angles C4'-P-C4' energy: -169.387
flat angles P-C4'-P energy: -103.237
tors. eta vs tors. theta energy: -148.165
Dist. restrs. and SS energy: 3.665 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -1822.302370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.302370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.984105 (E_RNA)
where:
Base-Base interactions energy: -1257.169
where: short stacking energy: -518.425
Base-Backbone interact. energy: 3.740
local terms energy: -571.555011
where:
bonds (distance) C4'-P energy: -126.463
bonds (distance) P-C4' energy: -140.671
flat angles C4'-P-C4' energy: -112.682
flat angles P-C4'-P energy: -70.150
tors. eta vs tors. theta energy: -121.590
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: 1, replica: 9
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -2927.421286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2927.421286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2928.500376 (E_RNA)
where:
Base-Base interactions energy: -2035.030
where: short stacking energy: -807.910
Base-Backbone interact. energy: -1.893
local terms energy: -891.577818
where:
bonds (distance) C4'-P energy: -165.650
bonds (distance) P-C4' energy: -165.941
flat angles C4'-P-C4' energy: -185.123
flat angles P-C4'-P energy: -133.699
tors. eta vs tors. theta energy: -241.164
Dist. restrs. and SS energy: 1.079 (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: 4
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -2805.131298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.131298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.998054 (E_RNA)
where:
Base-Base interactions energy: -1947.770
where: short stacking energy: -802.855
Base-Backbone interact. energy: -3.398
local terms energy: -856.829563
where:
bonds (distance) C4'-P energy: -164.100
bonds (distance) P-C4' energy: -164.210
flat angles C4'-P-C4' energy: -179.780
flat angles P-C4'-P energy: -122.483
tors. eta vs tors. theta energy: -226.256
Dist. restrs. and SS energy: 2.867 (S_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: 279
Temperature: 1.000000
Total energy: -2573.774657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.774657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.111701 (E_RNA)
where:
Base-Base interactions energy: -1766.282
where: short stacking energy: -744.248
Base-Backbone interact. energy: -3.270
local terms energy: -805.560591
where:
bonds (distance) C4'-P energy: -156.879
bonds (distance) P-C4' energy: -158.927
flat angles C4'-P-C4' energy: -162.788
flat angles P-C4'-P energy: -119.752
tors. eta vs tors. theta energy: -207.215
Dist. restrs. and SS energy: 1.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -2462.013694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.013694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.816933 (E_RNA)
where:
Base-Base interactions energy: -1664.630
where: short stacking energy: -710.811
Base-Backbone interact. energy: 0.773
local terms energy: -800.959848
where:
bonds (distance) C4'-P energy: -148.941
bonds (distance) P-C4' energy: -148.367
flat angles C4'-P-C4' energy: -190.384
flat angles P-C4'-P energy: -114.105
tors. eta vs tors. theta energy: -199.162
Dist. restrs. and SS energy: 2.803 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -2442.478609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.478609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.243259 (E_RNA)
where:
Base-Base interactions energy: -1676.793
where: short stacking energy: -725.206
Base-Backbone interact. energy: -2.304
local terms energy: -766.146857
where:
bonds (distance) C4'-P energy: -135.859
bonds (distance) P-C4' energy: -134.643
flat angles C4'-P-C4' energy: -171.022
flat angles P-C4'-P energy: -109.054
tors. eta vs tors. theta energy: -215.568
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: 8
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -2190.133177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.133177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.198344 (E_RNA)
where:
Base-Base interactions energy: -1505.021
where: short stacking energy: -641.170
Base-Backbone interact. energy: 5.149
local terms energy: -693.325690
where:
bonds (distance) C4'-P energy: -107.813
bonds (distance) P-C4' energy: -144.366
flat angles C4'-P-C4' energy: -169.342
flat angles P-C4'-P energy: -102.089
tors. eta vs tors. theta energy: -169.716
Dist. restrs. and SS energy: 3.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -2096.811418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.811418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.585620 (E_RNA)
where:
Base-Base interactions energy: -1393.054
where: short stacking energy: -602.496
Base-Backbone interact. energy: 2.613
local terms energy: -709.145068
where:
bonds (distance) C4'-P energy: -138.654
bonds (distance) P-C4' energy: -144.575
flat angles C4'-P-C4' energy: -163.595
flat angles P-C4'-P energy: -109.581
tors. eta vs tors. theta energy: -152.740
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: 8, replica: 3
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -2020.165233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.165233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.004868 (E_RNA)
where:
Base-Base interactions energy: -1402.545
where: short stacking energy: -555.098
Base-Backbone interact. energy: -2.046
local terms energy: -617.414563
where:
bonds (distance) C4'-P energy: -122.158
bonds (distance) P-C4' energy: -104.982
flat angles C4'-P-C4' energy: -148.908
flat angles P-C4'-P energy: -100.522
tors. eta vs tors. theta energy: -140.845
Dist. restrs. and SS energy: 1.840 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -1958.804101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.804101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.955571 (E_RNA)
where:
Base-Base interactions energy: -1323.512
where: short stacking energy: -560.132
Base-Backbone interact. energy: -2.625
local terms energy: -634.818483
where:
bonds (distance) C4'-P energy: -133.561
bonds (distance) P-C4' energy: -145.633
flat angles C4'-P-C4' energy: -122.845
flat angles P-C4'-P energy: -88.485
tors. eta vs tors. theta energy: -144.295
Dist. restrs. and SS energy: 2.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -1820.693500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.693500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.230383 (E_RNA)
where:
Base-Base interactions energy: -1239.185
where: short stacking energy: -496.296
Base-Backbone interact. energy: 4.368
local terms energy: -589.412733
where:
bonds (distance) C4'-P energy: -120.577
bonds (distance) P-C4' energy: -145.069
flat angles C4'-P-C4' energy: -107.657
flat angles P-C4'-P energy: -86.819
tors. eta vs tors. theta energy: -129.292
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: 1, replica: 9
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -2930.186309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2930.186309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2931.188277 (E_RNA)
where:
Base-Base interactions energy: -2038.906
where: short stacking energy: -808.561
Base-Backbone interact. energy: -1.939
local terms energy: -890.343622
where:
bonds (distance) C4'-P energy: -168.367
bonds (distance) P-C4' energy: -163.295
flat angles C4'-P-C4' energy: -192.386
flat angles P-C4'-P energy: -130.364
tors. eta vs tors. theta energy: -235.932
Dist. restrs. and SS energy: 1.002 (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: 4
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -2798.605550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.605550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.756521 (E_RNA)
where:
Base-Base interactions energy: -1960.226
where: short stacking energy: -814.595
Base-Backbone interact. energy: -1.889
local terms energy: -838.641055
where:
bonds (distance) C4'-P energy: -151.549
bonds (distance) P-C4' energy: -160.643
flat angles C4'-P-C4' energy: -176.872
flat angles P-C4'-P energy: -112.421
tors. eta vs tors. theta energy: -237.156
Dist. restrs. and SS energy: 2.151 (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: 7
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -2593.037075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.037075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.560545 (E_RNA)
where:
Base-Base interactions energy: -1763.581
where: short stacking energy: -770.623
Base-Backbone interact. energy: -1.891
local terms energy: -829.088109
where:
bonds (distance) C4'-P energy: -151.328
bonds (distance) P-C4' energy: -162.104
flat angles C4'-P-C4' energy: -179.309
flat angles P-C4'-P energy: -113.900
tors. eta vs tors. theta energy: -222.448
Dist. restrs. and SS energy: 1.523 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -2490.807796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.807796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.315854 (E_RNA)
where:
Base-Base interactions energy: -1691.679
where: short stacking energy: -731.134
Base-Backbone interact. energy: 1.017
local terms energy: -803.653909
where:
bonds (distance) C4'-P energy: -139.242
bonds (distance) P-C4' energy: -138.838
flat angles C4'-P-C4' energy: -180.327
flat angles P-C4'-P energy: -141.439
tors. eta vs tors. theta energy: -203.808
Dist. restrs. and SS energy: 3.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -2389.550577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.550577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.265021 (E_RNA)
where:
Base-Base interactions energy: -1587.493
where: short stacking energy: -691.089
Base-Backbone interact. energy: -3.350
local terms energy: -802.421497
where:
bonds (distance) C4'-P energy: -139.653
bonds (distance) P-C4' energy: -165.881
flat angles C4'-P-C4' energy: -175.639
flat angles P-C4'-P energy: -112.597
tors. eta vs tors. theta energy: -208.652
Dist. restrs. and SS energy: 3.714 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -2230.260958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.260958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.842663 (E_RNA)
where:
Base-Base interactions energy: -1517.848
where: short stacking energy: -656.158
Base-Backbone interact. energy: 1.412
local terms energy: -715.406084
where:
bonds (distance) C4'-P energy: -138.299
bonds (distance) P-C4' energy: -131.853
flat angles C4'-P-C4' energy: -171.000
flat angles P-C4'-P energy: -108.527
tors. eta vs tors. theta energy: -165.728
Dist. restrs. and SS energy: 1.582 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -2119.850281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.850281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.527035 (E_RNA)
where:
Base-Base interactions energy: -1435.515
where: short stacking energy: -626.672
Base-Backbone interact. energy: -3.750
local terms energy: -684.261753
where:
bonds (distance) C4'-P energy: -117.090
bonds (distance) P-C4' energy: -134.475
flat angles C4'-P-C4' energy: -164.855
flat angles P-C4'-P energy: -99.386
tors. eta vs tors. theta energy: -168.455
Dist. restrs. and SS energy: 3.677 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -2059.015740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.015740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.762331 (E_RNA)
where:
Base-Base interactions energy: -1376.040
where: short stacking energy: -585.660
Base-Backbone interact. energy: -0.122
local terms energy: -685.600229
where:
bonds (distance) C4'-P energy: -141.321
bonds (distance) P-C4' energy: -129.785
flat angles C4'-P-C4' energy: -158.044
flat angles P-C4'-P energy: -102.216
tors. eta vs tors. theta energy: -154.234
Dist. restrs. and SS energy: 2.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -1972.281816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.281816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.796815 (E_RNA)
where:
Base-Base interactions energy: -1321.768
where: short stacking energy: -561.268
Base-Backbone interact. energy: -1.066
local terms energy: -650.962779
where:
bonds (distance) C4'-P energy: -122.841
bonds (distance) P-C4' energy: -139.277
flat angles C4'-P-C4' energy: -145.793
flat angles P-C4'-P energy: -95.749
tors. eta vs tors. theta energy: -147.303
Dist. restrs. and SS energy: 1.515 (S_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: 280
Temperature: 1.350000
Total energy: -1830.434946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.434946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.565142 (E_RNA)
where:
Base-Base interactions energy: -1272.692
where: short stacking energy: -522.656
Base-Backbone interact. energy: -1.069
local terms energy: -560.804566
where:
bonds (distance) C4'-P energy: -109.371
bonds (distance) P-C4' energy: -130.995
flat angles C4'-P-C4' energy: -121.188
flat angles P-C4'-P energy: -71.982
tors. eta vs tors. theta energy: -127.268
Dist. restrs. and SS energy: 4.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -2919.639638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2919.639638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2921.537319 (E_RNA)
where:
Base-Base interactions energy: -2042.780
where: short stacking energy: -852.568
Base-Backbone interact. energy: -0.722
local terms energy: -878.034989
where:
bonds (distance) C4'-P energy: -144.037
bonds (distance) P-C4' energy: -158.431
flat angles C4'-P-C4' energy: -195.360
flat angles P-C4'-P energy: -128.815
tors. eta vs tors. theta energy: -251.392
Dist. restrs. and SS energy: 1.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -2770.213561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.213561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.153659 (E_RNA)
where:
Base-Base interactions energy: -1931.515
where: short stacking energy: -798.468
Base-Backbone interact. energy: -3.850
local terms energy: -838.789035
where:
bonds (distance) C4'-P energy: -157.181
bonds (distance) P-C4' energy: -160.724
flat angles C4'-P-C4' energy: -170.034
flat angles P-C4'-P energy: -122.680
tors. eta vs tors. theta energy: -228.170
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: 7
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -2595.877670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.877670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.374409 (E_RNA)
where:
Base-Base interactions energy: -1797.015
where: short stacking energy: -766.950
Base-Backbone interact. energy: -0.697
local terms energy: -799.662326
where:
bonds (distance) C4'-P energy: -140.526
bonds (distance) P-C4' energy: -148.102
flat angles C4'-P-C4' energy: -168.336
flat angles P-C4'-P energy: -110.722
tors. eta vs tors. theta energy: -231.976
Dist. restrs. and SS energy: 1.497 (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: 5
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -2481.326642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.326642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.504368 (E_RNA)
where:
Base-Base interactions energy: -1676.659
where: short stacking energy: -731.543
Base-Backbone interact. energy: -3.030
local terms energy: -802.815187
where:
bonds (distance) C4'-P energy: -148.311
bonds (distance) P-C4' energy: -155.072
flat angles C4'-P-C4' energy: -172.166
flat angles P-C4'-P energy: -118.786
tors. eta vs tors. theta energy: -208.480
Dist. restrs. and SS energy: 1.178 (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: 6
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -2405.755464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.755464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.507055 (E_RNA)
where:
Base-Base interactions energy: -1614.132
where: short stacking energy: -693.564
Base-Backbone interact. energy: -1.484
local terms energy: -792.891745
where:
bonds (distance) C4'-P energy: -151.310
bonds (distance) P-C4' energy: -148.947
flat angles C4'-P-C4' energy: -166.722
flat angles P-C4'-P energy: -125.126
tors. eta vs tors. theta energy: -200.788
Dist. restrs. and SS energy: 2.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -2189.266310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.266310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.465358 (E_RNA)
where:
Base-Base interactions energy: -1459.242
where: short stacking energy: -635.665
Base-Backbone interact. energy: -1.365
local terms energy: -731.858441
where:
bonds (distance) C4'-P energy: -142.618
bonds (distance) P-C4' energy: -162.776
flat angles C4'-P-C4' energy: -167.193
flat angles P-C4'-P energy: -90.656
tors. eta vs tors. theta energy: -168.616
Dist. restrs. and SS energy: 3.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -2044.364142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.364142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.538451 (E_RNA)
where:
Base-Base interactions energy: -1356.491
where: short stacking energy: -570.971
Base-Backbone interact. energy: -2.753
local terms energy: -690.294446
where:
bonds (distance) C4'-P energy: -137.705
bonds (distance) P-C4' energy: -137.693
flat angles C4'-P-C4' energy: -156.277
flat angles P-C4'-P energy: -106.646
tors. eta vs tors. theta energy: -151.973
Dist. restrs. and SS energy: 5.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -2049.681640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.681640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.837773 (E_RNA)
where:
Base-Base interactions energy: -1400.102
where: short stacking energy: -601.705
Base-Backbone interact. energy: -2.128
local terms energy: -650.607854
where:
bonds (distance) C4'-P energy: -131.762
bonds (distance) P-C4' energy: -138.979
flat angles C4'-P-C4' energy: -141.702
flat angles P-C4'-P energy: -93.969
tors. eta vs tors. theta energy: -144.197
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: 9, replica: 1
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -1948.091421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.091421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.641532 (E_RNA)
where:
Base-Base interactions energy: -1331.146
where: short stacking energy: -560.583
Base-Backbone interact. energy: 0.968
local terms energy: -620.462978
where:
bonds (distance) C4'-P energy: -128.310
bonds (distance) P-C4' energy: -128.351
flat angles C4'-P-C4' energy: -140.656
flat angles P-C4'-P energy: -75.471
tors. eta vs tors. theta energy: -147.675
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: 10, replica: 10
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -1841.396235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.396235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.878995 (E_RNA)
where:
Base-Base interactions energy: -1271.715
where: short stacking energy: -532.392
Base-Backbone interact. energy: 2.121
local terms energy: -579.284892
where:
bonds (distance) C4'-P energy: -114.923
bonds (distance) P-C4' energy: -124.478
flat angles C4'-P-C4' energy: -141.404
flat angles P-C4'-P energy: -67.573
tors. eta vs tors. theta energy: -130.907
Dist. restrs. and SS energy: 7.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -2914.505961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2914.505961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2915.672413 (E_RNA)
where:
Base-Base interactions energy: -2028.643
where: short stacking energy: -831.681
Base-Backbone interact. energy: -3.988
local terms energy: -883.042233
where:
bonds (distance) C4'-P energy: -163.949
bonds (distance) P-C4' energy: -148.411
flat angles C4'-P-C4' energy: -196.427
flat angles P-C4'-P energy: -128.669
tors. eta vs tors. theta energy: -245.586
Dist. restrs. and SS energy: 1.166 (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: 4
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -2803.870378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.870378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.167372 (E_RNA)
where:
Base-Base interactions energy: -1958.811
where: short stacking energy: -798.315
Base-Backbone interact. energy: -4.879
local terms energy: -841.477172
where:
bonds (distance) C4'-P energy: -153.298
bonds (distance) P-C4' energy: -154.592
flat angles C4'-P-C4' energy: -176.653
flat angles P-C4'-P energy: -126.149
tors. eta vs tors. theta energy: -230.785
Dist. restrs. and SS energy: 1.297 (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: 7
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -2600.144090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.144090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.898354 (E_RNA)
where:
Base-Base interactions energy: -1781.248
where: short stacking energy: -736.480
Base-Backbone interact. energy: -1.294
local terms energy: -819.356704
where:
bonds (distance) C4'-P energy: -146.219
bonds (distance) P-C4' energy: -160.506
flat angles C4'-P-C4' energy: -172.889
flat angles P-C4'-P energy: -113.668
tors. eta vs tors. theta energy: -226.075
Dist. restrs. and SS energy: 1.754 (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: 5
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -2556.691338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.691338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.474827 (E_RNA)
where:
Base-Base interactions energy: -1766.862
where: short stacking energy: -765.100
Base-Backbone interact. energy: 2.391
local terms energy: -794.003143
where:
bonds (distance) C4'-P energy: -129.999
bonds (distance) P-C4' energy: -150.561
flat angles C4'-P-C4' energy: -173.127
flat angles P-C4'-P energy: -111.129
tors. eta vs tors. theta energy: -229.186
Dist. restrs. and SS energy: 1.783 (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: 282
Temperature: 1.100000
Total energy: -2448.590886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.590886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.783770 (E_RNA)
where:
Base-Base interactions energy: -1686.441
where: short stacking energy: -706.836
Base-Backbone interact. energy: -1.230
local terms energy: -764.112074
where:
bonds (distance) C4'-P energy: -147.510
bonds (distance) P-C4' energy: -147.151
flat angles C4'-P-C4' energy: -165.600
flat angles P-C4'-P energy: -99.096
tors. eta vs tors. theta energy: -204.755
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: 6, replica: 8
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -2225.940946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.940946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.556141 (E_RNA)
where:
Base-Base interactions energy: -1501.312
where: short stacking energy: -638.605
Base-Backbone interact. energy: 1.754
local terms energy: -728.998320
where:
bonds (distance) C4'-P energy: -146.610
bonds (distance) P-C4' energy: -146.051
flat angles C4'-P-C4' energy: -156.928
flat angles P-C4'-P energy: -103.963
tors. eta vs tors. theta energy: -175.447
Dist. restrs. and SS energy: 2.615 (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: 2
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -2122.877225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.877225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.118818 (E_RNA)
where:
Base-Base interactions energy: -1440.419
where: short stacking energy: -624.854
Base-Backbone interact. energy: -1.048
local terms energy: -684.652007
where:
bonds (distance) C4'-P energy: -138.920
bonds (distance) P-C4' energy: -146.653
flat angles C4'-P-C4' energy: -144.856
flat angles P-C4'-P energy: -88.945
tors. eta vs tors. theta energy: -165.278
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: 8, replica: 3
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -1986.482635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.482635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.752010 (E_RNA)
where:
Base-Base interactions energy: -1353.667
where: short stacking energy: -578.933
Base-Backbone interact. energy: 0.125
local terms energy: -635.209605
where:
bonds (distance) C4'-P energy: -121.037
bonds (distance) P-C4' energy: -131.243
flat angles C4'-P-C4' energy: -132.636
flat angles P-C4'-P energy: -99.290
tors. eta vs tors. theta energy: -151.003
Dist. restrs. and SS energy: 2.269 (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: 1
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -1956.000869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.000869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.066282 (E_RNA)
where:
Base-Base interactions energy: -1319.754
where: short stacking energy: -550.340
Base-Backbone interact. energy: 0.507
local terms energy: -640.819329
where:
bonds (distance) C4'-P energy: -163.067
bonds (distance) P-C4' energy: -111.724
flat angles C4'-P-C4' energy: -145.922
flat angles P-C4'-P energy: -75.962
tors. eta vs tors. theta energy: -144.144
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: 10, replica: 10
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -1853.776723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.776723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.802073 (E_RNA)
where:
Base-Base interactions energy: -1250.281
where: short stacking energy: -530.376
Base-Backbone interact. energy: -1.242
local terms energy: -606.278835
where:
bonds (distance) C4'-P energy: -97.305
bonds (distance) P-C4' energy: -142.990
flat angles C4'-P-C4' energy: -136.513
flat angles P-C4'-P energy: -85.207
tors. eta vs tors. theta energy: -144.265
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: 1, replica: 9
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -2903.500196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2903.500196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2905.631694 (E_RNA)
where:
Base-Base interactions energy: -2033.282
where: short stacking energy: -843.176
Base-Backbone interact. energy: -4.477
local terms energy: -867.872512
where:
bonds (distance) C4'-P energy: -157.996
bonds (distance) P-C4' energy: -175.498
flat angles C4'-P-C4' energy: -174.522
flat angles P-C4'-P energy: -118.084
tors. eta vs tors. theta energy: -241.772
Dist. restrs. and SS energy: 2.131 (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: 4
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -2824.533098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2824.533098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2826.915377 (E_RNA)
where:
Base-Base interactions energy: -1965.843
where: short stacking energy: -816.505
Base-Backbone interact. energy: -1.027
local terms energy: -860.045373
where:
bonds (distance) C4'-P energy: -153.352
bonds (distance) P-C4' energy: -152.035
flat angles C4'-P-C4' energy: -192.835
flat angles P-C4'-P energy: -128.963
tors. eta vs tors. theta energy: -232.861
Dist. restrs. and SS energy: 2.382 (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: 7
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -2586.184179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.184179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.851816 (E_RNA)
where:
Base-Base interactions energy: -1790.781
where: short stacking energy: -746.133
Base-Backbone interact. energy: -4.603
local terms energy: -791.467843
where:
bonds (distance) C4'-P energy: -141.321
bonds (distance) P-C4' energy: -156.571
flat angles C4'-P-C4' energy: -175.376
flat angles P-C4'-P energy: -110.247
tors. eta vs tors. theta energy: -207.953
Dist. restrs. and SS energy: 0.668 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -2538.160668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.160668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.575335 (E_RNA)
where:
Base-Base interactions energy: -1727.736
where: short stacking energy: -728.473
Base-Backbone interact. energy: -2.280
local terms energy: -809.559623
where:
bonds (distance) C4'-P energy: -140.561
bonds (distance) P-C4' energy: -166.515
flat angles C4'-P-C4' energy: -175.841
flat angles P-C4'-P energy: -107.274
tors. eta vs tors. theta energy: -219.369
Dist. restrs. and SS energy: 1.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -2441.473803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.473803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.819824 (E_RNA)
where:
Base-Base interactions energy: -1686.085
where: short stacking energy: -745.598
Base-Backbone interact. energy: -1.128
local terms energy: -757.606691
where:
bonds (distance) C4'-P energy: -134.906
bonds (distance) P-C4' energy: -137.115
flat angles C4'-P-C4' energy: -164.289
flat angles P-C4'-P energy: -108.478
tors. eta vs tors. theta energy: -212.819
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: 6, replica: 8
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -2230.247667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.247667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.496872 (E_RNA)
where:
Base-Base interactions energy: -1486.843
where: short stacking energy: -630.042
Base-Backbone interact. energy: -4.053
local terms energy: -740.601465
where:
bonds (distance) C4'-P energy: -147.363
bonds (distance) P-C4' energy: -143.810
flat angles C4'-P-C4' energy: -170.796
flat angles P-C4'-P energy: -101.900
tors. eta vs tors. theta energy: -176.732
Dist. restrs. and SS energy: 1.249 (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: 2
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -2068.088934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.088934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.074006 (E_RNA)
where:
Base-Base interactions energy: -1380.669
where: short stacking energy: -590.806
Base-Backbone interact. energy: 1.105
local terms energy: -691.510203
where:
bonds (distance) C4'-P energy: -130.434
bonds (distance) P-C4' energy: -145.125
flat angles C4'-P-C4' energy: -138.270
flat angles P-C4'-P energy: -126.410
tors. eta vs tors. theta energy: -151.272
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: 8, replica: 3
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -1963.917204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.917204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.429811 (E_RNA)
where:
Base-Base interactions energy: -1341.374
where: short stacking energy: -549.552
Base-Backbone interact. energy: -3.193
local terms energy: -622.862791
where:
bonds (distance) C4'-P energy: -124.352
bonds (distance) P-C4' energy: -131.410
flat angles C4'-P-C4' energy: -147.017
flat angles P-C4'-P energy: -76.284
tors. eta vs tors. theta energy: -143.800
Dist. restrs. and SS energy: 3.513 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -1927.062298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.062298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.982904 (E_RNA)
where:
Base-Base interactions energy: -1318.369
where: short stacking energy: -573.149
Base-Backbone interact. energy: -2.277
local terms energy: -609.337026
where:
bonds (distance) C4'-P energy: -131.678
bonds (distance) P-C4' energy: -105.155
flat angles C4'-P-C4' energy: -149.720
flat angles P-C4'-P energy: -66.026
tors. eta vs tors. theta energy: -156.757
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: 10, replica: 10
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -1849.223672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.223672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.461991 (E_RNA)
where:
Base-Base interactions energy: -1270.555
where: short stacking energy: -555.404
Base-Backbone interact. energy: 2.467
local terms energy: -584.374771
where:
bonds (distance) C4'-P energy: -100.446
bonds (distance) P-C4' energy: -104.729
flat angles C4'-P-C4' energy: -152.766
flat angles P-C4'-P energy: -93.539
tors. eta vs tors. theta energy: -132.895
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: 1, replica: 9
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -2956.275064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2956.275064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2958.491657 (E_RNA)
where:
Base-Base interactions energy: -2081.017
where: short stacking energy: -860.135
Base-Backbone interact. energy: -3.958
local terms energy: -873.516548
where:
bonds (distance) C4'-P energy: -148.665
bonds (distance) P-C4' energy: -158.846
flat angles C4'-P-C4' energy: -185.860
flat angles P-C4'-P energy: -126.301
tors. eta vs tors. theta energy: -253.844
Dist. restrs. and SS energy: 2.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -2786.992062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.992062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.938967 (E_RNA)
where:
Base-Base interactions energy: -1936.275
where: short stacking energy: -788.936
Base-Backbone interact. energy: -4.092
local terms energy: -848.572505
where:
bonds (distance) C4'-P energy: -158.895
bonds (distance) P-C4' energy: -159.782
flat angles C4'-P-C4' energy: -177.072
flat angles P-C4'-P energy: -111.095
tors. eta vs tors. theta energy: -241.728
Dist. restrs. and SS energy: 1.947 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -2613.037897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.037897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.305326 (E_RNA)
where:
Base-Base interactions energy: -1809.424
where: short stacking energy: -757.528
Base-Backbone interact. energy: -2.164
local terms energy: -802.716821
where:
bonds (distance) C4'-P energy: -152.527
bonds (distance) P-C4' energy: -147.083
flat angles C4'-P-C4' energy: -181.034
flat angles P-C4'-P energy: -102.579
tors. eta vs tors. theta energy: -219.494
Dist. restrs. and SS energy: 1.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -2546.384848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.384848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.047262 (E_RNA)
where:
Base-Base interactions energy: -1731.699
where: short stacking energy: -748.111
Base-Backbone interact. energy: 5.264
local terms energy: -822.612368
where:
bonds (distance) C4'-P energy: -158.839
bonds (distance) P-C4' energy: -157.070
flat angles C4'-P-C4' energy: -169.248
flat angles P-C4'-P energy: -120.248
tors. eta vs tors. theta energy: -217.207
Dist. restrs. and SS energy: 2.662 (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: 6
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -2378.365748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.365748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.094699 (E_RNA)
where:
Base-Base interactions energy: -1633.422
where: short stacking energy: -701.512
Base-Backbone interact. energy: 1.757
local terms energy: -748.429210
where:
bonds (distance) C4'-P energy: -131.862
bonds (distance) P-C4' energy: -144.782
flat angles C4'-P-C4' energy: -171.724
flat angles P-C4'-P energy: -102.051
tors. eta vs tors. theta energy: -198.011
Dist. restrs. and SS energy: 1.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -2191.435159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.435159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.271308 (E_RNA)
where:
Base-Base interactions energy: -1484.665
where: short stacking energy: -630.142
Base-Backbone interact. energy: 2.656
local terms energy: -711.261651
where:
bonds (distance) C4'-P energy: -138.975
bonds (distance) P-C4' energy: -137.890
flat angles C4'-P-C4' energy: -171.031
flat angles P-C4'-P energy: -85.021
tors. eta vs tors. theta energy: -178.344
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: 7, replica: 3
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -2069.246690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.246690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.195194 (E_RNA)
where:
Base-Base interactions energy: -1404.548
where: short stacking energy: -596.305
Base-Backbone interact. energy: 0.761
local terms energy: -667.407787
where:
bonds (distance) C4'-P energy: -121.391
bonds (distance) P-C4' energy: -142.331
flat angles C4'-P-C4' energy: -156.553
flat angles P-C4'-P energy: -86.856
tors. eta vs tors. theta energy: -160.276
Dist. restrs. and SS energy: 1.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -2028.064300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.064300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.643329 (E_RNA)
where:
Base-Base interactions energy: -1384.527
where: short stacking energy: -600.881
Base-Backbone interact. energy: -3.526
local terms energy: -641.590759
where:
bonds (distance) C4'-P energy: -111.205
bonds (distance) P-C4' energy: -130.946
flat angles C4'-P-C4' energy: -159.021
flat angles P-C4'-P energy: -85.641
tors. eta vs tors. theta energy: -154.777
Dist. restrs. and SS energy: 1.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -1926.411138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.411138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.306791 (E_RNA)
where:
Base-Base interactions energy: -1315.497
where: short stacking energy: -544.144
Base-Backbone interact. energy: -1.296
local terms energy: -611.513770
where:
bonds (distance) C4'-P energy: -127.900
bonds (distance) P-C4' energy: -111.921
flat angles C4'-P-C4' energy: -143.606
flat angles P-C4'-P energy: -93.460
tors. eta vs tors. theta energy: -134.626
Dist. restrs. and SS energy: 1.896 (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: 284
Temperature: 1.350000
Total energy: -1812.656318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.656318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.258627 (E_RNA)
where:
Base-Base interactions energy: -1242.686
where: short stacking energy: -507.342
Base-Backbone interact. energy: 7.351
local terms energy: -580.923911
where:
bonds (distance) C4'-P energy: -130.039
bonds (distance) P-C4' energy: -141.107
flat angles C4'-P-C4' energy: -130.666
flat angles P-C4'-P energy: -57.367
tors. eta vs tors. theta energy: -121.745
Dist. restrs. and SS energy: 3.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -2960.463662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2960.463662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2962.924911 (E_RNA)
where:
Base-Base interactions energy: -2079.525
where: short stacking energy: -842.447
Base-Backbone interact. energy: -2.349
local terms energy: -881.050986
where:
bonds (distance) C4'-P energy: -158.574
bonds (distance) P-C4' energy: -158.306
flat angles C4'-P-C4' energy: -192.929
flat angles P-C4'-P energy: -126.733
tors. eta vs tors. theta energy: -244.510
Dist. restrs. and SS energy: 2.461 (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: 4
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -2811.494214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.494214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.581044 (E_RNA)
where:
Base-Base interactions energy: -1967.713
where: short stacking energy: -785.928
Base-Backbone interact. energy: -2.802
local terms energy: -843.066857
where:
bonds (distance) C4'-P energy: -160.194
bonds (distance) P-C4' energy: -173.146
flat angles C4'-P-C4' energy: -169.940
flat angles P-C4'-P energy: -123.283
tors. eta vs tors. theta energy: -216.504
Dist. restrs. and SS energy: 2.087 (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: 7
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -2662.007839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.007839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.115694 (E_RNA)
where:
Base-Base interactions energy: -1831.110
where: short stacking energy: -773.628
Base-Backbone interact. energy: 1.029
local terms energy: -834.033788
where:
bonds (distance) C4'-P energy: -153.751
bonds (distance) P-C4' energy: -149.563
flat angles C4'-P-C4' energy: -181.005
flat angles P-C4'-P energy: -131.287
tors. eta vs tors. theta energy: -218.428
Dist. restrs. and SS energy: 2.108 (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: 5
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -2528.295468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.295468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.063521 (E_RNA)
where:
Base-Base interactions energy: -1731.663
where: short stacking energy: -740.397
Base-Backbone interact. energy: -2.027
local terms energy: -797.372992
where:
bonds (distance) C4'-P energy: -142.848
bonds (distance) P-C4' energy: -164.217
flat angles C4'-P-C4' energy: -167.551
flat angles P-C4'-P energy: -108.037
tors. eta vs tors. theta energy: -214.720
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: 5, replica: 6
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -2377.930894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.930894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.511860 (E_RNA)
where:
Base-Base interactions energy: -1593.255
where: short stacking energy: -663.987
Base-Backbone interact. energy: -0.790
local terms energy: -785.466160
where:
bonds (distance) C4'-P energy: -154.006
bonds (distance) P-C4' energy: -155.579
flat angles C4'-P-C4' energy: -157.790
flat angles P-C4'-P energy: -119.763
tors. eta vs tors. theta energy: -198.328
Dist. restrs. and SS energy: 1.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -2284.757516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.757516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.327751 (E_RNA)
where:
Base-Base interactions energy: -1579.224
where: short stacking energy: -677.569
Base-Backbone interact. energy: 6.983
local terms energy: -714.086613
where:
bonds (distance) C4'-P energy: -137.414
bonds (distance) P-C4' energy: -142.778
flat angles C4'-P-C4' energy: -145.678
flat angles P-C4'-P energy: -104.182
tors. eta vs tors. theta energy: -184.035
Dist. restrs. and SS energy: 1.570 (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: 3
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -2089.743126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.743126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.092521 (E_RNA)
where:
Base-Base interactions energy: -1408.782
where: short stacking energy: -608.441
Base-Backbone interact. energy: 3.523
local terms energy: -686.833856
where:
bonds (distance) C4'-P energy: -131.644
bonds (distance) P-C4' energy: -136.394
flat angles C4'-P-C4' energy: -163.235
flat angles P-C4'-P energy: -84.508
tors. eta vs tors. theta energy: -171.052
Dist. restrs. and SS energy: 2.349 (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: 10
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -2045.731938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.731938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.590582 (E_RNA)
where:
Base-Base interactions energy: -1365.433
where: short stacking energy: -592.759
Base-Backbone interact. energy: -1.636
local terms energy: -680.520892
where:
bonds (distance) C4'-P energy: -141.499
bonds (distance) P-C4' energy: -151.213
flat angles C4'-P-C4' energy: -151.888
flat angles P-C4'-P energy: -84.650
tors. eta vs tors. theta energy: -151.271
Dist. restrs. and SS energy: 1.859 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -1958.399666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.399666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.024311 (E_RNA)
where:
Base-Base interactions energy: -1299.710
where: short stacking energy: -549.702
Base-Backbone interact. energy: -0.992
local terms energy: -661.322355
where:
bonds (distance) C4'-P energy: -129.140
bonds (distance) P-C4' energy: -151.688
flat angles C4'-P-C4' energy: -153.566
flat angles P-C4'-P energy: -89.937
tors. eta vs tors. theta energy: -136.992
Dist. restrs. and SS energy: 3.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -1877.190828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.190828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.931871 (E_RNA)
where:
Base-Base interactions energy: -1271.554
where: short stacking energy: -556.273
Base-Backbone interact. energy: -2.730
local terms energy: -606.648639
where:
bonds (distance) C4'-P energy: -125.127
bonds (distance) P-C4' energy: -127.099
flat angles C4'-P-C4' energy: -148.476
flat angles P-C4'-P energy: -62.631
tors. eta vs tors. theta energy: -143.316
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: 1, replica: 9
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -2925.314267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2925.314267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2927.659143 (E_RNA)
where:
Base-Base interactions energy: -2049.775
where: short stacking energy: -852.329
Base-Backbone interact. energy: 2.595
local terms energy: -880.478553
where:
bonds (distance) C4'-P energy: -152.109
bonds (distance) P-C4' energy: -168.675
flat angles C4'-P-C4' energy: -183.695
flat angles P-C4'-P energy: -126.055
tors. eta vs tors. theta energy: -249.946
Dist. restrs. and SS energy: 2.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -2849.498662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2849.498662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2851.626109 (E_RNA)
where:
Base-Base interactions energy: -1997.994
where: short stacking energy: -826.170
Base-Backbone interact. energy: 1.266
local terms energy: -854.898014
where:
bonds (distance) C4'-P energy: -155.622
bonds (distance) P-C4' energy: -151.503
flat angles C4'-P-C4' energy: -182.613
flat angles P-C4'-P energy: -133.747
tors. eta vs tors. theta energy: -231.413
Dist. restrs. and SS energy: 2.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -2650.649223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.649223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.449219 (E_RNA)
where:
Base-Base interactions energy: -1814.026
where: short stacking energy: -767.958
Base-Backbone interact. energy: -1.897
local terms energy: -836.525690
where:
bonds (distance) C4'-P energy: -157.769
bonds (distance) P-C4' energy: -153.772
flat angles C4'-P-C4' energy: -179.563
flat angles P-C4'-P energy: -116.948
tors. eta vs tors. theta energy: -228.473
Dist. restrs. and SS energy: 1.800 (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: 5
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -2518.601288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.601288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.280623 (E_RNA)
where:
Base-Base interactions energy: -1692.552
where: short stacking energy: -750.404
Base-Backbone interact. energy: -4.267
local terms energy: -823.461573
where:
bonds (distance) C4'-P energy: -150.448
bonds (distance) P-C4' energy: -134.813
flat angles C4'-P-C4' energy: -183.569
flat angles P-C4'-P energy: -123.299
tors. eta vs tors. theta energy: -231.333
Dist. restrs. and SS energy: 1.679 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -2396.777402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.777402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.958491 (E_RNA)
where:
Base-Base interactions energy: -1658.304
where: short stacking energy: -709.133
Base-Backbone interact. energy: 3.840
local terms energy: -744.495004
where:
bonds (distance) C4'-P energy: -125.049
bonds (distance) P-C4' energy: -142.580
flat angles C4'-P-C4' energy: -175.290
flat angles P-C4'-P energy: -90.704
tors. eta vs tors. theta energy: -210.872
Dist. restrs. and SS energy: 2.181 (S_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: 286
Temperature: 1.150000
Total energy: -2263.827566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.827566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.501321 (E_RNA)
where:
Base-Base interactions energy: -1547.946
where: short stacking energy: -648.719
Base-Backbone interact. energy: 4.282
local terms energy: -721.836364
where:
bonds (distance) C4'-P energy: -128.784
bonds (distance) P-C4' energy: -143.769
flat angles C4'-P-C4' energy: -157.104
flat angles P-C4'-P energy: -109.111
tors. eta vs tors. theta energy: -183.068
Dist. restrs. and SS energy: 1.674 (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: 10
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -2027.580555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.580555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.910922 (E_RNA)
where:
Base-Base interactions energy: -1359.504
where: short stacking energy: -568.597
Base-Backbone interact. energy: -2.803
local terms energy: -667.604520
where:
bonds (distance) C4'-P energy: -151.763
bonds (distance) P-C4' energy: -130.541
flat angles C4'-P-C4' energy: -135.280
flat angles P-C4'-P energy: -95.663
tors. eta vs tors. theta energy: -154.359
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: 8, replica: 3
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -2045.369686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.369686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.723724 (E_RNA)
where:
Base-Base interactions energy: -1370.479
where: short stacking energy: -587.817
Base-Backbone interact. energy: 4.478
local terms energy: -681.722909
where:
bonds (distance) C4'-P energy: -137.621
bonds (distance) P-C4' energy: -136.904
flat angles C4'-P-C4' energy: -149.433
flat angles P-C4'-P energy: -100.893
tors. eta vs tors. theta energy: -156.872
Dist. restrs. and SS energy: 2.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -1956.860470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.860470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.722294 (E_RNA)
where:
Base-Base interactions energy: -1309.822
where: short stacking energy: -544.656
Base-Backbone interact. energy: -2.138
local terms energy: -646.762103
where:
bonds (distance) C4'-P energy: -130.195
bonds (distance) P-C4' energy: -140.716
flat angles C4'-P-C4' energy: -148.820
flat angles P-C4'-P energy: -91.708
tors. eta vs tors. theta energy: -135.323
Dist. restrs. and SS energy: 1.862 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -1863.475243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.475243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.219045 (E_RNA)
where:
Base-Base interactions energy: -1240.071
where: short stacking energy: -512.063
Base-Backbone interact. energy: -2.377
local terms energy: -629.770928
where:
bonds (distance) C4'-P energy: -117.785
bonds (distance) P-C4' energy: -149.328
flat angles C4'-P-C4' energy: -129.669
flat angles P-C4'-P energy: -104.248
tors. eta vs tors. theta energy: -128.741
Dist. restrs. and SS energy: 8.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -2905.798595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2905.798595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2908.525396 (E_RNA)
where:
Base-Base interactions energy: -2021.482
where: short stacking energy: -838.492
Base-Backbone interact. energy: -1.995
local terms energy: -885.048720
where:
bonds (distance) C4'-P energy: -171.775
bonds (distance) P-C4' energy: -151.993
flat angles C4'-P-C4' energy: -191.063
flat angles P-C4'-P energy: -130.071
tors. eta vs tors. theta energy: -240.146
Dist. restrs. and SS energy: 2.727 (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: 4
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -2828.792708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2828.792708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2830.173562 (E_RNA)
where:
Base-Base interactions energy: -1957.580
where: short stacking energy: -823.461
Base-Backbone interact. energy: -3.261
local terms energy: -869.332768
where:
bonds (distance) C4'-P energy: -156.893
bonds (distance) P-C4' energy: -156.547
flat angles C4'-P-C4' energy: -179.311
flat angles P-C4'-P energy: -129.746
tors. eta vs tors. theta energy: -246.836
Dist. restrs. and SS energy: 1.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -2650.202733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.202733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.017516 (E_RNA)
where:
Base-Base interactions energy: -1858.801
where: short stacking energy: -778.183
Base-Backbone interact. energy: -1.887
local terms energy: -791.329131
where:
bonds (distance) C4'-P energy: -121.825
bonds (distance) P-C4' energy: -160.627
flat angles C4'-P-C4' energy: -178.471
flat angles P-C4'-P energy: -109.702
tors. eta vs tors. theta energy: -220.705
Dist. restrs. and SS energy: 1.815 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -2525.783244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.783244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.366812 (E_RNA)
where:
Base-Base interactions energy: -1726.454
where: short stacking energy: -747.546
Base-Backbone interact. energy: 9.791
local terms energy: -810.703657
where:
bonds (distance) C4'-P energy: -151.762
bonds (distance) P-C4' energy: -149.717
flat angles C4'-P-C4' energy: -178.227
flat angles P-C4'-P energy: -126.515
tors. eta vs tors. theta energy: -204.482
Dist. restrs. and SS energy: 1.584 (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: 6
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -2371.654555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.654555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.417321 (E_RNA)
where:
Base-Base interactions energy: -1651.920
where: short stacking energy: -675.524
Base-Backbone interact. energy: 6.914
local terms energy: -728.412191
where:
bonds (distance) C4'-P energy: -134.029
bonds (distance) P-C4' energy: -150.446
flat angles C4'-P-C4' energy: -158.326
flat angles P-C4'-P energy: -104.406
tors. eta vs tors. theta energy: -181.205
Dist. restrs. and SS energy: 1.763 (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: 8
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -2259.611325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.611325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.307378 (E_RNA)
where:
Base-Base interactions energy: -1551.008
where: short stacking energy: -645.386
Base-Backbone interact. energy: -1.837
local terms energy: -708.462300
where:
bonds (distance) C4'-P energy: -134.135
bonds (distance) P-C4' energy: -138.809
flat angles C4'-P-C4' energy: -168.641
flat angles P-C4'-P energy: -99.271
tors. eta vs tors. theta energy: -167.606
Dist. restrs. and SS energy: 1.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -2102.447094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.447094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.639626 (E_RNA)
where:
Base-Base interactions energy: -1428.195
where: short stacking energy: -625.133
Base-Backbone interact. energy: -2.548
local terms energy: -674.896432
where:
bonds (distance) C4'-P energy: -149.726
bonds (distance) P-C4' energy: -114.353
flat angles C4'-P-C4' energy: -158.779
flat angles P-C4'-P energy: -87.106
tors. eta vs tors. theta energy: -164.932
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: 8, replica: 2
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -2057.705933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.705933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.254841 (E_RNA)
where:
Base-Base interactions energy: -1416.109
where: short stacking energy: -615.454
Base-Backbone interact. energy: 5.877
local terms energy: -650.023245
where:
bonds (distance) C4'-P energy: -131.985
bonds (distance) P-C4' energy: -128.497
flat angles C4'-P-C4' energy: -141.002
flat angles P-C4'-P energy: -81.278
tors. eta vs tors. theta energy: -167.261
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: 9, replica: 3
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -1982.128204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.128204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.872927 (E_RNA)
where:
Base-Base interactions energy: -1380.799
where: short stacking energy: -584.889
Base-Backbone interact. energy: 5.632
local terms energy: -609.706097
where:
bonds (distance) C4'-P energy: -104.530
bonds (distance) P-C4' energy: -96.912
flat angles C4'-P-C4' energy: -152.903
flat angles P-C4'-P energy: -107.334
tors. eta vs tors. theta energy: -148.028
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: 10, replica: 1
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -1888.294793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.294793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.629493 (E_RNA)
where:
Base-Base interactions energy: -1287.816
where: short stacking energy: -523.136
Base-Backbone interact. energy: 7.438
local terms energy: -610.251786
where:
bonds (distance) C4'-P energy: -112.496
bonds (distance) P-C4' energy: -145.745
flat angles C4'-P-C4' energy: -133.552
flat angles P-C4'-P energy: -86.141
tors. eta vs tors. theta energy: -132.317
Dist. restrs. and SS energy: 2.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -2949.498123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2949.498123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2951.572312 (E_RNA)
where:
Base-Base interactions energy: -2068.390
where: short stacking energy: -844.001
Base-Backbone interact. energy: -2.679
local terms energy: -880.503179
where:
bonds (distance) C4'-P energy: -166.824
bonds (distance) P-C4' energy: -162.615
flat angles C4'-P-C4' energy: -180.986
flat angles P-C4'-P energy: -126.448
tors. eta vs tors. theta energy: -243.630
Dist. restrs. and SS energy: 2.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -2829.747023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2829.747023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2831.699346 (E_RNA)
where:
Base-Base interactions energy: -1967.765
where: short stacking energy: -814.411
Base-Backbone interact. energy: -1.318
local terms energy: -862.616561
where:
bonds (distance) C4'-P energy: -159.874
bonds (distance) P-C4' energy: -160.731
flat angles C4'-P-C4' energy: -183.086
flat angles P-C4'-P energy: -114.393
tors. eta vs tors. theta energy: -244.533
Dist. restrs. and SS energy: 1.952 (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: 7
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -2650.092264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.092264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.669214 (E_RNA)
where:
Base-Base interactions energy: -1848.076
where: short stacking energy: -742.686
Base-Backbone interact. energy: -1.800
local terms energy: -801.792687
where:
bonds (distance) C4'-P energy: -153.651
bonds (distance) P-C4' energy: -153.312
flat angles C4'-P-C4' energy: -169.005
flat angles P-C4'-P energy: -117.087
tors. eta vs tors. theta energy: -208.739
Dist. restrs. and SS energy: 1.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -2475.422655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.422655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.807600 (E_RNA)
where:
Base-Base interactions energy: -1702.016
where: short stacking energy: -723.682
Base-Backbone interact. energy: 7.655
local terms energy: -783.446120
where:
bonds (distance) C4'-P energy: -144.417
bonds (distance) P-C4' energy: -150.894
flat angles C4'-P-C4' energy: -177.657
flat angles P-C4'-P energy: -102.322
tors. eta vs tors. theta energy: -208.156
Dist. restrs. and SS energy: 2.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -2416.281213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.281213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.750237 (E_RNA)
where:
Base-Base interactions energy: -1655.492
where: short stacking energy: -688.583
Base-Backbone interact. energy: 0.503
local terms energy: -762.761334
where:
bonds (distance) C4'-P energy: -145.114
bonds (distance) P-C4' energy: -126.156
flat angles C4'-P-C4' energy: -162.114
flat angles P-C4'-P energy: -116.436
tors. eta vs tors. theta energy: -212.941
Dist. restrs. and SS energy: 1.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -2197.833375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.833375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.327857 (E_RNA)
where:
Base-Base interactions energy: -1467.475
where: short stacking energy: -601.996
Base-Backbone interact. energy: 0.856
local terms energy: -735.709176
where:
bonds (distance) C4'-P energy: -147.431
bonds (distance) P-C4' energy: -157.693
flat angles C4'-P-C4' energy: -149.978
flat angles P-C4'-P energy: -109.386
tors. eta vs tors. theta energy: -171.221
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: 7, replica: 2
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -2082.833146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.833146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.051647 (E_RNA)
where:
Base-Base interactions energy: -1383.149
where: short stacking energy: -590.465
Base-Backbone interact. energy: -3.270
local terms energy: -698.633044
where:
bonds (distance) C4'-P energy: -140.028
bonds (distance) P-C4' energy: -151.196
flat angles C4'-P-C4' energy: -153.382
flat angles P-C4'-P energy: -92.017
tors. eta vs tors. theta energy: -162.010
Dist. restrs. and SS energy: 2.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -2009.338051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.338051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.324940 (E_RNA)
where:
Base-Base interactions energy: -1352.712
where: short stacking energy: -561.924
Base-Backbone interact. energy: -1.858
local terms energy: -657.754620
where:
bonds (distance) C4'-P energy: -154.318
bonds (distance) P-C4' energy: -140.717
flat angles C4'-P-C4' energy: -140.192
flat angles P-C4'-P energy: -86.617
tors. eta vs tors. theta energy: -135.911
Dist. restrs. and SS energy: 2.987 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -1970.245572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.245572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.205846 (E_RNA)
where:
Base-Base interactions energy: -1378.793
where: short stacking energy: -579.830
Base-Backbone interact. energy: 7.442
local terms energy: -602.855196
where:
bonds (distance) C4'-P energy: -123.613
bonds (distance) P-C4' energy: -115.837
flat angles C4'-P-C4' energy: -141.116
flat angles P-C4'-P energy: -85.460
tors. eta vs tors. theta energy: -136.828
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: 10, replica: 1
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -1875.230264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.230264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.360729 (E_RNA)
where:
Base-Base interactions energy: -1284.418
where: short stacking energy: -532.973
Base-Backbone interact. energy: 5.265
local terms energy: -599.207980
where:
bonds (distance) C4'-P energy: -116.436
bonds (distance) P-C4' energy: -131.263
flat angles C4'-P-C4' energy: -143.892
flat angles P-C4'-P energy: -75.070
tors. eta vs tors. theta energy: -132.547
Dist. restrs. and SS energy: 3.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -2933.777878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2933.777878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2936.210951 (E_RNA)
where:
Base-Base interactions energy: -2059.346
where: short stacking energy: -841.676
Base-Backbone interact. energy: -1.980
local terms energy: -874.884759
where:
bonds (distance) C4'-P energy: -167.705
bonds (distance) P-C4' energy: -150.269
flat angles C4'-P-C4' energy: -186.959
flat angles P-C4'-P energy: -128.429
tors. eta vs tors. theta energy: -241.522
Dist. restrs. and SS energy: 2.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -2803.087640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.087640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.832065 (E_RNA)
where:
Base-Base interactions energy: -1944.355
where: short stacking energy: -827.899
Base-Backbone interact. energy: -3.581
local terms energy: -856.895560
where:
bonds (distance) C4'-P energy: -146.321
bonds (distance) P-C4' energy: -161.706
flat angles C4'-P-C4' energy: -189.939
flat angles P-C4'-P energy: -119.397
tors. eta vs tors. theta energy: -239.533
Dist. restrs. and SS energy: 1.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -2669.413574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.413574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.032466 (E_RNA)
where:
Base-Base interactions energy: -1844.117
where: short stacking energy: -751.084
Base-Backbone interact. energy: -1.897
local terms energy: -825.017765
where:
bonds (distance) C4'-P energy: -152.754
bonds (distance) P-C4' energy: -162.728
flat angles C4'-P-C4' energy: -178.309
flat angles P-C4'-P energy: -117.764
tors. eta vs tors. theta energy: -213.463
Dist. restrs. and SS energy: 1.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -2494.516962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.516962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.654601 (E_RNA)
where:
Base-Base interactions energy: -1688.558
where: short stacking energy: -744.137
Base-Backbone interact. energy: 1.862
local terms energy: -809.959123
where:
bonds (distance) C4'-P energy: -142.716
bonds (distance) P-C4' energy: -151.633
flat angles C4'-P-C4' energy: -176.102
flat angles P-C4'-P energy: -120.210
tors. eta vs tors. theta energy: -219.299
Dist. restrs. and SS energy: 2.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -2332.405686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.405686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.037394 (E_RNA)
where:
Base-Base interactions energy: -1605.420
where: short stacking energy: -695.070
Base-Backbone interact. energy: 0.303
local terms energy: -729.920658
where:
bonds (distance) C4'-P energy: -126.293
bonds (distance) P-C4' energy: -152.148
flat angles C4'-P-C4' energy: -156.391
flat angles P-C4'-P energy: -86.665
tors. eta vs tors. theta energy: -208.424
Dist. restrs. and SS energy: 2.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -2182.640895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.640895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.987221 (E_RNA)
where:
Base-Base interactions energy: -1499.674
where: short stacking energy: -610.487
Base-Backbone interact. energy: -4.764
local terms energy: -680.549327
where:
bonds (distance) C4'-P energy: -134.059
bonds (distance) P-C4' energy: -145.699
flat angles C4'-P-C4' energy: -156.043
flat angles P-C4'-P energy: -98.033
tors. eta vs tors. theta energy: -146.715
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: 2
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -2104.103446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.103446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.584076 (E_RNA)
where:
Base-Base interactions energy: -1410.715
where: short stacking energy: -623.463
Base-Backbone interact. energy: -1.775
local terms energy: -696.094096
where:
bonds (distance) C4'-P energy: -148.025
bonds (distance) P-C4' energy: -134.617
flat angles C4'-P-C4' energy: -162.210
flat angles P-C4'-P energy: -87.026
tors. eta vs tors. theta energy: -164.216
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: 8, replica: 10
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -2021.073953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.073953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.716895 (E_RNA)
where:
Base-Base interactions energy: -1369.650
where: short stacking energy: -559.069
Base-Backbone interact. energy: -0.996
local terms energy: -653.071496
where:
bonds (distance) C4'-P energy: -145.805
bonds (distance) P-C4' energy: -143.085
flat angles C4'-P-C4' energy: -125.870
flat angles P-C4'-P energy: -100.760
tors. eta vs tors. theta energy: -137.551
Dist. restrs. and SS energy: 2.643 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -1947.640009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.640009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.078686 (E_RNA)
where:
Base-Base interactions energy: -1337.498
where: short stacking energy: -584.962
Base-Backbone interact. energy: 11.703
local terms energy: -624.284450
where:
bonds (distance) C4'-P energy: -133.553
bonds (distance) P-C4' energy: -136.894
flat angles C4'-P-C4' energy: -129.589
flat angles P-C4'-P energy: -82.551
tors. eta vs tors. theta energy: -141.697
Dist. restrs. and SS energy: 2.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -1873.823880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.823880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.132359 (E_RNA)
where:
Base-Base interactions energy: -1282.022
where: short stacking energy: -544.177
Base-Backbone interact. energy: -5.023
local terms energy: -591.087988
where:
bonds (distance) C4'-P energy: -105.021
bonds (distance) P-C4' energy: -126.842
flat angles C4'-P-C4' energy: -136.188
flat angles P-C4'-P energy: -94.293
tors. eta vs tors. theta energy: -128.743
Dist. restrs. and SS energy: 4.308 (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: 9
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -2963.701100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2963.701100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2966.174419 (E_RNA)
where:
Base-Base interactions energy: -2095.829
where: short stacking energy: -848.526
Base-Backbone interact. energy: -3.243
local terms energy: -867.102179
where:
bonds (distance) C4'-P energy: -152.302
bonds (distance) P-C4' energy: -172.136
flat angles C4'-P-C4' energy: -174.388
flat angles P-C4'-P energy: -115.562
tors. eta vs tors. theta energy: -252.714
Dist. restrs. and SS energy: 2.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -2811.608303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.608303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.050197 (E_RNA)
where:
Base-Base interactions energy: -1955.300
where: short stacking energy: -836.976
Base-Backbone interact. energy: -0.110
local terms energy: -857.639881
where:
bonds (distance) C4'-P energy: -170.757
bonds (distance) P-C4' energy: -160.050
flat angles C4'-P-C4' energy: -172.822
flat angles P-C4'-P energy: -117.092
tors. eta vs tors. theta energy: -236.918
Dist. restrs. and SS energy: 1.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -2697.130687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.130687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.690817 (E_RNA)
where:
Base-Base interactions energy: -1889.124
where: short stacking energy: -753.274
Base-Backbone interact. energy: -3.625
local terms energy: -805.942343
where:
bonds (distance) C4'-P energy: -144.733
bonds (distance) P-C4' energy: -131.140
flat angles C4'-P-C4' energy: -178.275
flat angles P-C4'-P energy: -123.958
tors. eta vs tors. theta energy: -227.836
Dist. restrs. and SS energy: 1.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -2493.358304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.358304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.680595 (E_RNA)
where:
Base-Base interactions energy: -1697.415
where: short stacking energy: -719.993
Base-Backbone interact. energy: -2.550
local terms energy: -794.715412
where:
bonds (distance) C4'-P energy: -153.352
bonds (distance) P-C4' energy: -152.654
flat angles C4'-P-C4' energy: -175.802
flat angles P-C4'-P energy: -113.210
tors. eta vs tors. theta energy: -199.697
Dist. restrs. and SS energy: 1.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -2358.792153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.792153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.968919 (E_RNA)
where:
Base-Base interactions energy: -1609.993
where: short stacking energy: -677.882
Base-Backbone interact. energy: 3.976
local terms energy: -755.952330
where:
bonds (distance) C4'-P energy: -148.346
bonds (distance) P-C4' energy: -134.124
flat angles C4'-P-C4' energy: -170.320
flat angles P-C4'-P energy: -98.930
tors. eta vs tors. theta energy: -204.232
Dist. restrs. and SS energy: 3.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -2224.207035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.207035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.682663 (E_RNA)
where:
Base-Base interactions energy: -1541.999
where: short stacking energy: -648.453
Base-Backbone interact. energy: -1.076
local terms energy: -682.607010
where:
bonds (distance) C4'-P energy: -144.331
bonds (distance) P-C4' energy: -132.693
flat angles C4'-P-C4' energy: -146.918
flat angles P-C4'-P energy: -93.362
tors. eta vs tors. theta energy: -165.302
Dist. restrs. and SS energy: 1.476 (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: 2
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -2078.165019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.165019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.855510 (E_RNA)
where:
Base-Base interactions energy: -1384.286
where: short stacking energy: -606.851
Base-Backbone interact. energy: -1.228
local terms energy: -695.341619
where:
bonds (distance) C4'-P energy: -115.760
bonds (distance) P-C4' energy: -153.483
flat angles C4'-P-C4' energy: -164.510
flat angles P-C4'-P energy: -91.485
tors. eta vs tors. theta energy: -170.104
Dist. restrs. and SS energy: 2.690 (S_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: 290
Temperature: 1.250000
Total energy: -2005.470239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.470239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.360435 (E_RNA)
where:
Base-Base interactions energy: -1387.898
where: short stacking energy: -584.192
Base-Backbone interact. energy: 11.330
local terms energy: -631.792457
where:
bonds (distance) C4'-P energy: -151.213
bonds (distance) P-C4' energy: -120.704
flat angles C4'-P-C4' energy: -129.081
flat angles P-C4'-P energy: -85.659
tors. eta vs tors. theta energy: -145.136
Dist. restrs. and SS energy: 2.890 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -1964.546336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.546336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.356968 (E_RNA)
where:
Base-Base interactions energy: -1368.502
where: short stacking energy: -576.280
Base-Backbone interact. energy: -0.712
local terms energy: -597.143028
where:
bonds (distance) C4'-P energy: -109.353
bonds (distance) P-C4' energy: -129.037
flat angles C4'-P-C4' energy: -136.528
flat angles P-C4'-P energy: -80.947
tors. eta vs tors. theta energy: -141.277
Dist. restrs. and SS energy: 1.811 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -1877.188789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.188789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.606047 (E_RNA)
where:
Base-Base interactions energy: -1259.010
where: short stacking energy: -519.038
Base-Backbone interact. energy: -0.300
local terms energy: -622.295707
where:
bonds (distance) C4'-P energy: -139.957
bonds (distance) P-C4' energy: -130.588
flat angles C4'-P-C4' energy: -138.280
flat angles P-C4'-P energy: -81.338
tors. eta vs tors. theta energy: -132.134
Dist. restrs. and SS energy: 4.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -2970.796351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2970.796351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2972.817112 (E_RNA)
where:
Base-Base interactions energy: -2074.046
where: short stacking energy: -842.936
Base-Backbone interact. energy: 0.058
local terms energy: -898.829191
where:
bonds (distance) C4'-P energy: -161.420
bonds (distance) P-C4' energy: -165.473
flat angles C4'-P-C4' energy: -185.432
flat angles P-C4'-P energy: -137.808
tors. eta vs tors. theta energy: -248.696
Dist. restrs. and SS energy: 2.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -2827.848406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2827.848406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2829.324910 (E_RNA)
where:
Base-Base interactions energy: -1990.806
where: short stacking energy: -837.967
Base-Backbone interact. energy: -2.040
local terms energy: -836.479626
where:
bonds (distance) C4'-P energy: -146.803
bonds (distance) P-C4' energy: -151.026
flat angles C4'-P-C4' energy: -179.735
flat angles P-C4'-P energy: -125.469
tors. eta vs tors. theta energy: -233.446
Dist. restrs. and SS energy: 1.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -2715.733347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.733347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.968058 (E_RNA)
where:
Base-Base interactions energy: -1901.623
where: short stacking energy: -776.760
Base-Backbone interact. energy: 0.007
local terms energy: -816.351653
where:
bonds (distance) C4'-P energy: -134.543
bonds (distance) P-C4' energy: -165.185
flat angles C4'-P-C4' energy: -184.338
flat angles P-C4'-P energy: -101.706
tors. eta vs tors. theta energy: -230.579
Dist. restrs. and SS energy: 2.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -2463.522003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.522003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.671110 (E_RNA)
where:
Base-Base interactions energy: -1671.526
where: short stacking energy: -734.047
Base-Backbone interact. energy: -3.150
local terms energy: -790.994880
where:
bonds (distance) C4'-P energy: -133.312
bonds (distance) P-C4' energy: -151.316
flat angles C4'-P-C4' energy: -178.090
flat angles P-C4'-P energy: -112.816
tors. eta vs tors. theta energy: -215.461
Dist. restrs. and SS energy: 2.149 (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: 5
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -2405.199680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.199680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.239829 (E_RNA)
where:
Base-Base interactions energy: -1668.342
where: short stacking energy: -693.224
Base-Backbone interact. energy: -0.929
local terms energy: -737.969109
where:
bonds (distance) C4'-P energy: -119.496
bonds (distance) P-C4' energy: -153.050
flat angles C4'-P-C4' energy: -159.800
flat angles P-C4'-P energy: -110.020
tors. eta vs tors. theta energy: -195.603
Dist. restrs. and SS energy: 2.040 (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: 8
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -2238.718023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.718023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.407531 (E_RNA)
where:
Base-Base interactions energy: -1511.621
where: short stacking energy: -663.128
Base-Backbone interact. energy: 3.622
local terms energy: -732.408715
where:
bonds (distance) C4'-P energy: -140.986
bonds (distance) P-C4' energy: -150.849
flat angles C4'-P-C4' energy: -170.346
flat angles P-C4'-P energy: -86.212
tors. eta vs tors. theta energy: -184.016
Dist. restrs. and SS energy: 1.690 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -2104.042517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.042517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.962117 (E_RNA)
where:
Base-Base interactions energy: -1426.476
where: short stacking energy: -630.927
Base-Backbone interact. energy: 0.561
local terms energy: -680.046192
where:
bonds (distance) C4'-P energy: -121.933
bonds (distance) P-C4' energy: -135.525
flat angles C4'-P-C4' energy: -164.753
flat angles P-C4'-P energy: -91.076
tors. eta vs tors. theta energy: -166.760
Dist. restrs. and SS energy: 1.920 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -2010.987272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.987272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.368569 (E_RNA)
where:
Base-Base interactions energy: -1346.824
where: short stacking energy: -556.861
Base-Backbone interact. energy: -2.339
local terms energy: -666.205376
where:
bonds (distance) C4'-P energy: -133.664
bonds (distance) P-C4' energy: -129.415
flat angles C4'-P-C4' energy: -146.467
flat angles P-C4'-P energy: -104.632
tors. eta vs tors. theta energy: -152.027
Dist. restrs. and SS energy: 4.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -2005.408974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.408974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.614319 (E_RNA)
where:
Base-Base interactions energy: -1353.170
where: short stacking energy: -583.849
Base-Backbone interact. energy: -0.723
local terms energy: -653.721522
where:
bonds (distance) C4'-P energy: -140.579
bonds (distance) P-C4' energy: -131.779
flat angles C4'-P-C4' energy: -135.110
flat angles P-C4'-P energy: -102.722
tors. eta vs tors. theta energy: -143.532
Dist. restrs. and SS energy: 2.205 (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: 1
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -1926.124133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.124133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.958383 (E_RNA)
where:
Base-Base interactions energy: -1291.573
where: short stacking energy: -538.114
Base-Backbone interact. energy: 3.250
local terms energy: -639.635170
where:
bonds (distance) C4'-P energy: -129.074
bonds (distance) P-C4' energy: -132.292
flat angles C4'-P-C4' energy: -145.224
flat angles P-C4'-P energy: -90.945
tors. eta vs tors. theta energy: -142.100
Dist. restrs. and SS energy: 1.834 (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: 9
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -2982.621802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2982.621802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2984.427710 (E_RNA)
where:
Base-Base interactions energy: -2078.155
where: short stacking energy: -835.678
Base-Backbone interact. energy: -2.593
local terms energy: -903.680068
where:
bonds (distance) C4'-P energy: -161.121
bonds (distance) P-C4' energy: -179.851
flat angles C4'-P-C4' energy: -184.153
flat angles P-C4'-P energy: -129.963
tors. eta vs tors. theta energy: -248.593
Dist. restrs. and SS energy: 1.806 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -2857.548669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2857.548669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2859.833956 (E_RNA)
where:
Base-Base interactions energy: -1973.212
where: short stacking energy: -812.303
Base-Backbone interact. energy: -1.511
local terms energy: -885.110639
where:
bonds (distance) C4'-P energy: -167.302
bonds (distance) P-C4' energy: -176.986
flat angles C4'-P-C4' energy: -185.233
flat angles P-C4'-P energy: -133.553
tors. eta vs tors. theta energy: -222.036
Dist. restrs. and SS energy: 2.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -2696.599741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.599741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.617034 (E_RNA)
where:
Base-Base interactions energy: -1844.794
where: short stacking energy: -776.289
Base-Backbone interact. energy: -4.337
local terms energy: -849.485318
where:
bonds (distance) C4'-P energy: -164.486
bonds (distance) P-C4' energy: -168.229
flat angles C4'-P-C4' energy: -183.646
flat angles P-C4'-P energy: -108.267
tors. eta vs tors. theta energy: -224.857
Dist. restrs. and SS energy: 2.017 (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: 6
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -2501.151592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.151592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.850228 (E_RNA)
where:
Base-Base interactions energy: -1686.201
where: short stacking energy: -721.491
Base-Backbone interact. energy: -0.502
local terms energy: -816.147326
where:
bonds (distance) C4'-P energy: -138.253
bonds (distance) P-C4' energy: -180.927
flat angles C4'-P-C4' energy: -179.028
flat angles P-C4'-P energy: -104.431
tors. eta vs tors. theta energy: -213.508
Dist. restrs. and SS energy: 1.699 (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: 5
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -2392.435219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.435219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.443264 (E_RNA)
where:
Base-Base interactions energy: -1619.127
where: short stacking energy: -696.046
Base-Backbone interact. energy: -3.883
local terms energy: -772.433279
where:
bonds (distance) C4'-P energy: -147.216
bonds (distance) P-C4' energy: -146.492
flat angles C4'-P-C4' energy: -168.847
flat angles P-C4'-P energy: -118.145
tors. eta vs tors. theta energy: -191.733
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: 6, replica: 8
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -2295.264423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.264423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.150110 (E_RNA)
where:
Base-Base interactions energy: -1535.493
where: short stacking energy: -675.123
Base-Backbone interact. energy: -1.646
local terms energy: -760.012051
where:
bonds (distance) C4'-P energy: -141.057
bonds (distance) P-C4' energy: -131.878
flat angles C4'-P-C4' energy: -181.307
flat angles P-C4'-P energy: -105.351
tors. eta vs tors. theta energy: -200.419
Dist. restrs. and SS energy: 1.886 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -2066.137957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.137957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.251777 (E_RNA)
where:
Base-Base interactions energy: -1393.191
where: short stacking energy: -594.362
Base-Backbone interact. energy: -0.043
local terms energy: -676.017702
where:
bonds (distance) C4'-P energy: -125.912
bonds (distance) P-C4' energy: -139.282
flat angles C4'-P-C4' energy: -160.988
flat angles P-C4'-P energy: -89.192
tors. eta vs tors. theta energy: -160.643
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: 8, replica: 10
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -2041.207526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.207526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.844692 (E_RNA)
where:
Base-Base interactions energy: -1378.541
where: short stacking energy: -606.310
Base-Backbone interact. energy: -1.025
local terms energy: -664.278257
where:
bonds (distance) C4'-P energy: -136.038
bonds (distance) P-C4' energy: -129.232
flat angles C4'-P-C4' energy: -157.646
flat angles P-C4'-P energy: -82.167
tors. eta vs tors. theta energy: -159.195
Dist. restrs. and SS energy: 2.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -1971.229124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.229124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.577357 (E_RNA)
where:
Base-Base interactions energy: -1337.113
where: short stacking energy: -561.119
Base-Backbone interact. energy: -0.488
local terms energy: -635.976087
where:
bonds (distance) C4'-P energy: -112.977
bonds (distance) P-C4' energy: -108.422
flat angles C4'-P-C4' energy: -164.167
flat angles P-C4'-P energy: -96.620
tors. eta vs tors. theta energy: -153.790
Dist. restrs. and SS energy: 2.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -1878.599665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.599665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.122107 (E_RNA)
where:
Base-Base interactions energy: -1308.509
where: short stacking energy: -533.730
Base-Backbone interact. energy: -0.126
local terms energy: -573.487919
where:
bonds (distance) C4'-P energy: -113.944
bonds (distance) P-C4' energy: -107.447
flat angles C4'-P-C4' energy: -149.403
flat angles P-C4'-P energy: -76.359
tors. eta vs tors. theta energy: -126.334
Dist. restrs. and SS energy: 3.522 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -2972.846762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2972.846762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2975.062336 (E_RNA)
where:
Base-Base interactions energy: -2090.041
where: short stacking energy: -840.741
Base-Backbone interact. energy: -4.433
local terms energy: -880.588725
where:
bonds (distance) C4'-P energy: -160.528
bonds (distance) P-C4' energy: -180.431
flat angles C4'-P-C4' energy: -185.460
flat angles P-C4'-P energy: -107.772
tors. eta vs tors. theta energy: -246.397
Dist. restrs. and SS energy: 2.216 (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: 4
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -2838.063775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2838.063775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2839.467878 (E_RNA)
where:
Base-Base interactions energy: -1983.254
where: short stacking energy: -828.016
Base-Backbone interact. energy: -3.795
local terms energy: -852.418873
where:
bonds (distance) C4'-P energy: -163.877
bonds (distance) P-C4' energy: -138.994
flat angles C4'-P-C4' energy: -189.606
flat angles P-C4'-P energy: -117.197
tors. eta vs tors. theta energy: -242.744
Dist. restrs. and SS energy: 1.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -2645.132868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.132868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.883520 (E_RNA)
where:
Base-Base interactions energy: -1824.882
where: short stacking energy: -788.875
Base-Backbone interact. energy: 0.406
local terms energy: -823.407345
where:
bonds (distance) C4'-P energy: -154.618
bonds (distance) P-C4' energy: -153.444
flat angles C4'-P-C4' energy: -171.624
flat angles P-C4'-P energy: -114.155
tors. eta vs tors. theta energy: -229.567
Dist. restrs. and SS energy: 2.751 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -2466.887844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.887844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.496557 (E_RNA)
where:
Base-Base interactions energy: -1691.851
where: short stacking energy: -704.296
Base-Backbone interact. energy: -0.079
local terms energy: -777.566655
where:
bonds (distance) C4'-P energy: -142.508
bonds (distance) P-C4' energy: -142.023
flat angles C4'-P-C4' energy: -173.049
flat angles P-C4'-P energy: -109.427
tors. eta vs tors. theta energy: -210.560
Dist. restrs. and SS energy: 2.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -2372.822444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.822444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.437042 (E_RNA)
where:
Base-Base interactions energy: -1603.017
where: short stacking energy: -686.685
Base-Backbone interact. energy: -3.367
local terms energy: -769.052994
where:
bonds (distance) C4'-P energy: -136.037
bonds (distance) P-C4' energy: -133.113
flat angles C4'-P-C4' energy: -183.333
flat angles P-C4'-P energy: -115.557
tors. eta vs tors. theta energy: -201.013
Dist. restrs. and SS energy: 2.615 (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: 8
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -2276.498954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.498954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.964252 (E_RNA)
where:
Base-Base interactions energy: -1537.245
where: short stacking energy: -646.405
Base-Backbone interact. energy: -0.313
local terms energy: -741.405460
where:
bonds (distance) C4'-P energy: -151.349
bonds (distance) P-C4' energy: -144.503
flat angles C4'-P-C4' energy: -152.212
flat angles P-C4'-P energy: -105.789
tors. eta vs tors. theta energy: -187.552
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: 7, replica: 2
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -2119.378536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.378536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.255149 (E_RNA)
where:
Base-Base interactions energy: -1439.467
where: short stacking energy: -613.482
Base-Backbone interact. energy: -0.706
local terms energy: -681.082086
where:
bonds (distance) C4'-P energy: -125.478
bonds (distance) P-C4' energy: -121.678
flat angles C4'-P-C4' energy: -159.279
flat angles P-C4'-P energy: -98.348
tors. eta vs tors. theta energy: -176.300
Dist. restrs. and SS energy: 1.877 (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: 10
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -2035.796818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.796818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.760685 (E_RNA)
where:
Base-Base interactions energy: -1389.770
where: short stacking energy: -571.108
Base-Backbone interact. energy: -3.108
local terms energy: -647.882881
where:
bonds (distance) C4'-P energy: -136.250
bonds (distance) P-C4' energy: -142.160
flat angles C4'-P-C4' energy: -152.730
flat angles P-C4'-P energy: -78.605
tors. eta vs tors. theta energy: -138.138
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: 9, replica: 3
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -1884.293608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.293608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.778311 (E_RNA)
where:
Base-Base interactions energy: -1276.029
where: short stacking energy: -538.395
Base-Backbone interact. energy: -2.365
local terms energy: -608.384831
where:
bonds (distance) C4'-P energy: -125.491
bonds (distance) P-C4' energy: -124.819
flat angles C4'-P-C4' energy: -150.388
flat angles P-C4'-P energy: -67.453
tors. eta vs tors. theta energy: -140.234
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: 10, replica: 1
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -1907.060296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.060296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.787439 (E_RNA)
where:
Base-Base interactions energy: -1266.238
where: short stacking energy: -538.683
Base-Backbone interact. energy: 1.221
local terms energy: -644.770523
where:
bonds (distance) C4'-P energy: -141.813
bonds (distance) P-C4' energy: -126.295
flat angles C4'-P-C4' energy: -135.933
flat angles P-C4'-P energy: -97.910
tors. eta vs tors. theta energy: -142.819
Dist. restrs. and SS energy: 2.727 (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: 9
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -2946.971521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2946.971521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2949.288581 (E_RNA)
where:
Base-Base interactions energy: -2067.253
where: short stacking energy: -831.957
Base-Backbone interact. energy: -4.032
local terms energy: -878.002868
where:
bonds (distance) C4'-P energy: -157.096
bonds (distance) P-C4' energy: -160.928
flat angles C4'-P-C4' energy: -173.653
flat angles P-C4'-P energy: -138.026
tors. eta vs tors. theta energy: -248.300
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: 2, replica: 4
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -2824.405813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2824.405813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.950264 (E_RNA)
where:
Base-Base interactions energy: -1952.324
where: short stacking energy: -805.391
Base-Backbone interact. energy: -1.256
local terms energy: -872.370556
where:
bonds (distance) C4'-P energy: -160.304
bonds (distance) P-C4' energy: -156.647
flat angles C4'-P-C4' energy: -188.377
flat angles P-C4'-P energy: -128.700
tors. eta vs tors. theta energy: -238.342
Dist. restrs. and SS energy: 1.544 (S_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: 294
Temperature: 1.000000
Total energy: -2685.900676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.900676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.943239 (E_RNA)
where:
Base-Base interactions energy: -1836.795
where: short stacking energy: -776.331
Base-Backbone interact. energy: 0.608
local terms energy: -850.756476
where:
bonds (distance) C4'-P energy: -157.649
bonds (distance) P-C4' energy: -155.879
flat angles C4'-P-C4' energy: -181.163
flat angles P-C4'-P energy: -131.914
tors. eta vs tors. theta energy: -224.151
Dist. restrs. and SS energy: 1.043 (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: 6
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -2498.261723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.261723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.700254 (E_RNA)
where:
Base-Base interactions energy: -1707.940
where: short stacking energy: -740.268
Base-Backbone interact. energy: 1.181
local terms energy: -794.941497
where:
bonds (distance) C4'-P energy: -140.219
bonds (distance) P-C4' energy: -149.271
flat angles C4'-P-C4' energy: -170.091
flat angles P-C4'-P energy: -112.677
tors. eta vs tors. theta energy: -222.684
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: 5
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -2413.110331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.110331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.739300 (E_RNA)
where:
Base-Base interactions energy: -1658.240
where: short stacking energy: -712.040
Base-Backbone interact. energy: 3.997
local terms energy: -760.496155
where:
bonds (distance) C4'-P energy: -156.955
bonds (distance) P-C4' energy: -133.802
flat angles C4'-P-C4' energy: -159.135
flat angles P-C4'-P energy: -100.537
tors. eta vs tors. theta energy: -210.067
Dist. restrs. and SS energy: 1.629 (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: 8
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -2246.198934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.198934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.920871 (E_RNA)
where:
Base-Base interactions energy: -1536.695
where: short stacking energy: -664.925
Base-Backbone interact. energy: -4.220
local terms energy: -707.005518
where:
bonds (distance) C4'-P energy: -147.485
bonds (distance) P-C4' energy: -143.833
flat angles C4'-P-C4' energy: -145.293
flat angles P-C4'-P energy: -93.525
tors. eta vs tors. theta energy: -176.870
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: 7, replica: 2
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -2171.601830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.601830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.741654 (E_RNA)
where:
Base-Base interactions energy: -1478.926
where: short stacking energy: -628.480
Base-Backbone interact. energy: -2.173
local terms energy: -693.642009
where:
bonds (distance) C4'-P energy: -111.521
bonds (distance) P-C4' energy: -131.712
flat angles C4'-P-C4' energy: -160.732
flat angles P-C4'-P energy: -99.085
tors. eta vs tors. theta energy: -190.592
Dist. restrs. and SS energy: 3.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -2026.641800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.641800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.500665 (E_RNA)
where:
Base-Base interactions energy: -1396.168
where: short stacking energy: -597.555
Base-Backbone interact. energy: 1.112
local terms energy: -634.445022
where:
bonds (distance) C4'-P energy: -123.585
bonds (distance) P-C4' energy: -112.335
flat angles C4'-P-C4' energy: -144.979
flat angles P-C4'-P energy: -92.761
tors. eta vs tors. theta energy: -160.784
Dist. restrs. and SS energy: 2.859 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -1949.970899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.970899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.877008 (E_RNA)
where:
Base-Base interactions energy: -1311.825
where: short stacking energy: -549.857
Base-Backbone interact. energy: -1.619
local terms energy: -638.432620
where:
bonds (distance) C4'-P energy: -118.028
bonds (distance) P-C4' energy: -129.887
flat angles C4'-P-C4' energy: -147.251
flat angles P-C4'-P energy: -96.886
tors. eta vs tors. theta energy: -146.381
Dist. restrs. and SS energy: 1.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -1826.390974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.390974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.457548 (E_RNA)
where:
Base-Base interactions energy: -1232.783
where: short stacking energy: -496.840
Base-Backbone interact. energy: 7.053
local terms energy: -604.727060
where:
bonds (distance) C4'-P energy: -125.865
bonds (distance) P-C4' energy: -123.545
flat angles C4'-P-C4' energy: -145.548
flat angles P-C4'-P energy: -100.497
tors. eta vs tors. theta energy: -109.273
Dist. restrs. and SS energy: 4.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -2955.073255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2955.073255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2957.521910 (E_RNA)
where:
Base-Base interactions energy: -2063.671
where: short stacking energy: -846.195
Base-Backbone interact. energy: -3.795
local terms energy: -890.056017
where:
bonds (distance) C4'-P energy: -156.873
bonds (distance) P-C4' energy: -169.430
flat angles C4'-P-C4' energy: -184.275
flat angles P-C4'-P energy: -132.834
tors. eta vs tors. theta energy: -246.645
Dist. restrs. and SS energy: 2.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -2832.154215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.154215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2833.958176 (E_RNA)
where:
Base-Base interactions energy: -1959.636
where: short stacking energy: -816.712
Base-Backbone interact. energy: -1.976
local terms energy: -872.346189
where:
bonds (distance) C4'-P energy: -163.882
bonds (distance) P-C4' energy: -162.735
flat angles C4'-P-C4' energy: -185.147
flat angles P-C4'-P energy: -123.516
tors. eta vs tors. theta energy: -237.066
Dist. restrs. and SS energy: 1.804 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -2661.146352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.146352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.014086 (E_RNA)
where:
Base-Base interactions energy: -1838.867
where: short stacking energy: -759.132
Base-Backbone interact. energy: -1.749
local terms energy: -821.397946
where:
bonds (distance) C4'-P energy: -141.244
bonds (distance) P-C4' energy: -143.920
flat angles C4'-P-C4' energy: -176.224
flat angles P-C4'-P energy: -131.880
tors. eta vs tors. theta energy: -228.129
Dist. restrs. and SS energy: 0.868 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -2524.376777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.376777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.938238 (E_RNA)
where:
Base-Base interactions energy: -1705.383
where: short stacking energy: -728.063
Base-Backbone interact. energy: 2.973
local terms energy: -824.527756
where:
bonds (distance) C4'-P energy: -147.231
bonds (distance) P-C4' energy: -165.988
flat angles C4'-P-C4' energy: -179.657
flat angles P-C4'-P energy: -121.655
tors. eta vs tors. theta energy: -209.998
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: 5, replica: 5
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -2395.359747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.359747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.617315 (E_RNA)
where:
Base-Base interactions energy: -1604.761
where: short stacking energy: -672.392
Base-Backbone interact. energy: -2.602
local terms energy: -790.254054
where:
bonds (distance) C4'-P energy: -143.372
bonds (distance) P-C4' energy: -163.420
flat angles C4'-P-C4' energy: -170.386
flat angles P-C4'-P energy: -112.277
tors. eta vs tors. theta energy: -200.798
Dist. restrs. and SS energy: 2.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -2249.274181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.274181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.008931 (E_RNA)
where:
Base-Base interactions energy: -1531.598
where: short stacking energy: -663.786
Base-Backbone interact. energy: -2.809
local terms energy: -716.601764
where:
bonds (distance) C4'-P energy: -148.437
bonds (distance) P-C4' energy: -115.261
flat angles C4'-P-C4' energy: -152.885
flat angles P-C4'-P energy: -98.005
tors. eta vs tors. theta energy: -202.014
Dist. restrs. and SS energy: 1.735 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -2152.358705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.358705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.821262 (E_RNA)
where:
Base-Base interactions energy: -1476.750
where: short stacking energy: -629.051
Base-Backbone interact. energy: 6.529
local terms energy: -683.600270
where:
bonds (distance) C4'-P energy: -135.938
bonds (distance) P-C4' energy: -129.025
flat angles C4'-P-C4' energy: -153.466
flat angles P-C4'-P energy: -102.792
tors. eta vs tors. theta energy: -162.379
Dist. restrs. and SS energy: 1.463 (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: 1
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -2055.635676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.635676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.431442 (E_RNA)
where:
Base-Base interactions energy: -1382.953
where: short stacking energy: -579.811
Base-Backbone interact. energy: -2.675
local terms energy: -672.803743
where:
bonds (distance) C4'-P energy: -124.773
bonds (distance) P-C4' energy: -145.939
flat angles C4'-P-C4' energy: -146.703
flat angles P-C4'-P energy: -90.421
tors. eta vs tors. theta energy: -164.968
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: 9, replica: 10
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -1979.367892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.367892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.726335 (E_RNA)
where:
Base-Base interactions energy: -1340.045
where: short stacking energy: -557.782
Base-Backbone interact. energy: -2.206
local terms energy: -640.475042
where:
bonds (distance) C4'-P energy: -140.977
bonds (distance) P-C4' energy: -133.157
flat angles C4'-P-C4' energy: -132.836
flat angles P-C4'-P energy: -96.986
tors. eta vs tors. theta energy: -136.520
Dist. restrs. and SS energy: 3.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -1848.777553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.777553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.960901 (E_RNA)
where:
Base-Base interactions energy: -1279.418
where: short stacking energy: -548.457
Base-Backbone interact. energy: 1.865
local terms energy: -575.407551
where:
bonds (distance) C4'-P energy: -121.778
bonds (distance) P-C4' energy: -107.768
flat angles C4'-P-C4' energy: -141.517
flat angles P-C4'-P energy: -80.775
tors. eta vs tors. theta energy: -123.571
Dist. restrs. and SS energy: 4.183 (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: 9
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -2943.776475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2943.776475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2946.979966 (E_RNA)
where:
Base-Base interactions energy: -2074.115
where: short stacking energy: -823.063
Base-Backbone interact. energy: -2.134
local terms energy: -870.731112
where:
bonds (distance) C4'-P energy: -160.298
bonds (distance) P-C4' energy: -172.990
flat angles C4'-P-C4' energy: -180.330
flat angles P-C4'-P energy: -117.667
tors. eta vs tors. theta energy: -239.446
Dist. restrs. and SS energy: 3.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -2781.506226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.506226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.485694 (E_RNA)
where:
Base-Base interactions energy: -1926.844
where: short stacking energy: -802.665
Base-Backbone interact. energy: -1.913
local terms energy: -853.728681
where:
bonds (distance) C4'-P energy: -158.234
bonds (distance) P-C4' energy: -155.341
flat angles C4'-P-C4' energy: -185.386
flat angles P-C4'-P energy: -109.458
tors. eta vs tors. theta energy: -245.310
Dist. restrs. and SS energy: 0.979 (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: 7
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -2642.979719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.979719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.188220 (E_RNA)
where:
Base-Base interactions energy: -1814.510
where: short stacking energy: -759.159
Base-Backbone interact. energy: 0.068
local terms energy: -829.745775
where:
bonds (distance) C4'-P energy: -148.158
bonds (distance) P-C4' energy: -167.288
flat angles C4'-P-C4' energy: -186.564
flat angles P-C4'-P energy: -107.245
tors. eta vs tors. theta energy: -220.492
Dist. restrs. and SS energy: 1.209 (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: 6
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -2513.103016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.103016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.490099 (E_RNA)
where:
Base-Base interactions energy: -1722.013
where: short stacking energy: -744.367
Base-Backbone interact. energy: 0.913
local terms energy: -794.390315
where:
bonds (distance) C4'-P energy: -139.917
bonds (distance) P-C4' energy: -150.493
flat angles C4'-P-C4' energy: -165.388
flat angles P-C4'-P energy: -123.243
tors. eta vs tors. theta energy: -215.350
Dist. restrs. and SS energy: 2.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -2413.597992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.597992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.195060 (E_RNA)
where:
Base-Base interactions energy: -1653.106
where: short stacking energy: -712.408
Base-Backbone interact. energy: 2.076
local terms energy: -764.165092
where:
bonds (distance) C4'-P energy: -123.663
bonds (distance) P-C4' energy: -160.963
flat angles C4'-P-C4' energy: -163.911
flat angles P-C4'-P energy: -109.310
tors. eta vs tors. theta energy: -206.317
Dist. restrs. and SS energy: 1.597 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -2232.986443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.986443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.134085 (E_RNA)
where:
Base-Base interactions energy: -1505.831
where: short stacking energy: -637.434
Base-Backbone interact. energy: 8.433
local terms energy: -737.736248
where:
bonds (distance) C4'-P energy: -154.048
bonds (distance) P-C4' energy: -148.140
flat angles C4'-P-C4' energy: -160.788
flat angles P-C4'-P energy: -93.620
tors. eta vs tors. theta energy: -181.140
Dist. restrs. and SS energy: 2.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -2187.373100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.373100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.626357 (E_RNA)
where:
Base-Base interactions energy: -1477.831
where: short stacking energy: -642.163
Base-Backbone interact. energy: -2.823
local terms energy: -707.972963
where:
bonds (distance) C4'-P energy: -148.675
bonds (distance) P-C4' energy: -130.320
flat angles C4'-P-C4' energy: -148.878
flat angles P-C4'-P energy: -99.881
tors. eta vs tors. theta energy: -180.218
Dist. restrs. and SS energy: 1.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -2053.719891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.719891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.974873 (E_RNA)
where:
Base-Base interactions energy: -1378.068
where: short stacking energy: -604.337
Base-Backbone interact. energy: -2.988
local terms energy: -674.919104
where:
bonds (distance) C4'-P energy: -130.139
bonds (distance) P-C4' energy: -131.309
flat angles C4'-P-C4' energy: -144.802
flat angles P-C4'-P energy: -96.761
tors. eta vs tors. theta energy: -171.908
Dist. restrs. and SS energy: 2.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -2006.208897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.208897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.679566 (E_RNA)
where:
Base-Base interactions energy: -1339.268
where: short stacking energy: -574.368
Base-Backbone interact. energy: -5.271
local terms energy: -665.139821
where:
bonds (distance) C4'-P energy: -139.350
bonds (distance) P-C4' energy: -127.718
flat angles C4'-P-C4' energy: -150.029
flat angles P-C4'-P energy: -96.925
tors. eta vs tors. theta energy: -151.117
Dist. restrs. and SS energy: 3.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -1854.364846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.364846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.608500 (E_RNA)
where:
Base-Base interactions energy: -1264.389
where: short stacking energy: -520.944
Base-Backbone interact. energy: 10.784
local terms energy: -603.003497
where:
bonds (distance) C4'-P energy: -119.763
bonds (distance) P-C4' energy: -122.501
flat angles C4'-P-C4' energy: -142.119
flat angles P-C4'-P energy: -97.460
tors. eta vs tors. theta energy: -121.161
Dist. restrs. and SS energy: 2.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -2975.452740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2975.452740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2976.942023 (E_RNA)
where:
Base-Base interactions energy: -2109.032
where: short stacking energy: -858.825
Base-Backbone interact. energy: 0.243
local terms energy: -868.153559
where:
bonds (distance) C4'-P energy: -157.098
bonds (distance) P-C4' energy: -159.511
flat angles C4'-P-C4' energy: -173.973
flat angles P-C4'-P energy: -129.281
tors. eta vs tors. theta energy: -248.290
Dist. restrs. and SS energy: 1.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -2811.382038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.382038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.189553 (E_RNA)
where:
Base-Base interactions energy: -1949.663
where: short stacking energy: -833.091
Base-Backbone interact. energy: -5.375
local terms energy: -858.150974
where:
bonds (distance) C4'-P energy: -151.075
bonds (distance) P-C4' energy: -174.819
flat angles C4'-P-C4' energy: -177.439
flat angles P-C4'-P energy: -112.336
tors. eta vs tors. theta energy: -242.481
Dist. restrs. and SS energy: 1.808 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -2681.403805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.403805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.874780 (E_RNA)
where:
Base-Base interactions energy: -1881.910
where: short stacking energy: -783.443
Base-Backbone interact. energy: -4.009
local terms energy: -796.956358
where:
bonds (distance) C4'-P energy: -138.950
bonds (distance) P-C4' energy: -158.338
flat angles C4'-P-C4' energy: -162.455
flat angles P-C4'-P energy: -116.407
tors. eta vs tors. theta energy: -220.806
Dist. restrs. and SS energy: 1.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -2470.722788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.722788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.612868 (E_RNA)
where:
Base-Base interactions energy: -1687.713
where: short stacking energy: -731.014
Base-Backbone interact. energy: -3.525
local terms energy: -781.375267
where:
bonds (distance) C4'-P energy: -143.701
bonds (distance) P-C4' energy: -141.314
flat angles C4'-P-C4' energy: -175.697
flat angles P-C4'-P energy: -106.780
tors. eta vs tors. theta energy: -213.883
Dist. restrs. and SS energy: 1.890 (S_DIST_RNA)
chem. 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: -2420.912995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.912995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.081541 (E_RNA)
where:
Base-Base interactions energy: -1679.588
where: short stacking energy: -699.917
Base-Backbone interact. energy: 0.977
local terms energy: -744.470410
where:
bonds (distance) C4'-P energy: -136.773
bonds (distance) P-C4' energy: -141.708
flat angles C4'-P-C4' energy: -158.947
flat angles P-C4'-P energy: -105.480
tors. eta vs tors. theta energy: -201.562
Dist. restrs. and SS energy: 2.169 (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: 2
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -2198.446954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.446954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.880743 (E_RNA)
where:
Base-Base interactions energy: -1481.806
where: short stacking energy: -647.062
Base-Backbone interact. energy: -4.044
local terms energy: -715.031134
where:
bonds (distance) C4'-P energy: -144.687
bonds (distance) P-C4' energy: -128.711
flat angles C4'-P-C4' energy: -162.071
flat angles P-C4'-P energy: -107.365
tors. eta vs tors. theta energy: -172.197
Dist. restrs. and SS energy: 2.434 (S_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: 297
Temperature: 1.200000
Total energy: -2172.747691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.747691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.775642 (E_RNA)
where:
Base-Base interactions energy: -1481.737
where: short stacking energy: -598.598
Base-Backbone interact. energy: 5.949
local terms energy: -699.988356
where:
bonds (distance) C4'-P energy: -123.846
bonds (distance) P-C4' energy: -155.666
flat angles C4'-P-C4' energy: -159.077
flat angles P-C4'-P energy: -104.385
tors. eta vs tors. theta energy: -157.014
Dist. restrs. and SS energy: 3.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -2048.921899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.921899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.925595 (E_RNA)
where:
Base-Base interactions energy: -1375.823
where: short stacking energy: -571.445
Base-Backbone interact. energy: -0.441
local terms energy: -674.661668
where:
bonds (distance) C4'-P energy: -136.387
bonds (distance) P-C4' energy: -129.503
flat angles C4'-P-C4' energy: -153.879
flat angles P-C4'-P energy: -94.929
tors. eta vs tors. theta energy: -159.963
Dist. restrs. and SS energy: 2.004 (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: 1
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -1933.237160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.237160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.566352 (E_RNA)
where:
Base-Base interactions energy: -1329.715
where: short stacking energy: -567.758
Base-Backbone interact. energy: -1.883
local terms energy: -603.968498
where:
bonds (distance) C4'-P energy: -131.639
bonds (distance) P-C4' energy: -130.196
flat angles C4'-P-C4' energy: -144.279
flat angles P-C4'-P energy: -67.635
tors. eta vs tors. theta energy: -130.218
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: 10, replica: 3
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -1863.200394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.200394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.100735 (E_RNA)
where:
Base-Base interactions energy: -1281.683
where: short stacking energy: -531.684
Base-Backbone interact. energy: -0.024
local terms energy: -588.394173
where:
bonds (distance) C4'-P energy: -102.585
bonds (distance) P-C4' energy: -131.934
flat angles C4'-P-C4' energy: -133.117
flat angles P-C4'-P energy: -97.616
tors. eta vs tors. theta energy: -123.142
Dist. restrs. and SS energy: 6.900 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -2936.840994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2936.840994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2939.370609 (E_RNA)
where:
Base-Base interactions energy: -2068.974
where: short stacking energy: -845.252
Base-Backbone interact. energy: -3.930
local terms energy: -866.466596
where:
bonds (distance) C4'-P energy: -163.288
bonds (distance) P-C4' energy: -153.962
flat angles C4'-P-C4' energy: -186.377
flat angles P-C4'-P energy: -115.145
tors. eta vs tors. theta energy: -247.694
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: 4
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -2825.831395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2825.831395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2826.961606 (E_RNA)
where:
Base-Base interactions energy: -1963.578
where: short stacking energy: -819.429
Base-Backbone interact. energy: -0.648
local terms energy: -862.736255
where:
bonds (distance) C4'-P energy: -151.848
bonds (distance) P-C4' energy: -163.359
flat angles C4'-P-C4' energy: -188.705
flat angles P-C4'-P energy: -117.590
tors. eta vs tors. theta energy: -241.234
Dist. restrs. and SS energy: 1.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -2673.397959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.397959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.891135 (E_RNA)
where:
Base-Base interactions energy: -1848.027
where: short stacking energy: -799.722
Base-Backbone interact. energy: -4.111
local terms energy: -822.753516
where:
bonds (distance) C4'-P energy: -134.057
bonds (distance) P-C4' energy: -180.212
flat angles C4'-P-C4' energy: -179.283
flat angles P-C4'-P energy: -97.780
tors. eta vs tors. theta energy: -231.422
Dist. restrs. and SS energy: 1.493 (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: 6
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -2479.896487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.896487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.202427 (E_RNA)
where:
Base-Base interactions energy: -1715.114
where: short stacking energy: -760.157
Base-Backbone interact. energy: -0.823
local terms energy: -765.264830
where:
bonds (distance) C4'-P energy: -141.806
bonds (distance) P-C4' energy: -142.741
flat angles C4'-P-C4' energy: -165.896
flat angles P-C4'-P energy: -96.018
tors. eta vs tors. theta energy: -218.804
Dist. restrs. and SS energy: 1.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -2400.806503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.806503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.079091 (E_RNA)
where:
Base-Base interactions energy: -1656.903
where: short stacking energy: -685.078
Base-Backbone interact. energy: -0.930
local terms energy: -744.246326
where:
bonds (distance) C4'-P energy: -143.398
bonds (distance) P-C4' energy: -139.366
flat angles C4'-P-C4' energy: -166.830
flat angles P-C4'-P energy: -104.178
tors. eta vs tors. theta energy: -190.473
Dist. restrs. and SS energy: 1.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -2255.088282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.088282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.239687 (E_RNA)
where:
Base-Base interactions energy: -1545.367
where: short stacking energy: -679.203
Base-Backbone interact. energy: -2.254
local terms energy: -709.618145
where:
bonds (distance) C4'-P energy: -109.707
bonds (distance) P-C4' energy: -139.204
flat angles C4'-P-C4' energy: -172.015
flat angles P-C4'-P energy: -91.686
tors. eta vs tors. theta energy: -197.006
Dist. restrs. and SS energy: 2.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -2214.652535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.652535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.118246 (E_RNA)
where:
Base-Base interactions energy: -1501.718
where: short stacking energy: -636.088
Base-Backbone interact. energy: -4.960
local terms energy: -710.440380
where:
bonds (distance) C4'-P energy: -138.975
bonds (distance) P-C4' energy: -132.293
flat angles C4'-P-C4' energy: -154.252
flat angles P-C4'-P energy: -108.132
tors. eta vs tors. theta energy: -176.789
Dist. restrs. and SS energy: 2.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -2030.637800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.637800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.984634 (E_RNA)
where:
Base-Base interactions energy: -1393.726
where: short stacking energy: -575.714
Base-Backbone interact. energy: 4.850
local terms energy: -644.108095
where:
bonds (distance) C4'-P energy: -135.520
bonds (distance) P-C4' energy: -116.810
flat angles C4'-P-C4' energy: -144.752
flat angles P-C4'-P energy: -101.482
tors. eta vs tors. theta energy: -145.544
Dist. restrs. and SS energy: 2.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -1988.108011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.108011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.106395 (E_RNA)
where:
Base-Base interactions energy: -1346.225
where: short stacking energy: -577.922
Base-Backbone interact. energy: 2.769
local terms energy: -647.649888
where:
bonds (distance) C4'-P energy: -149.250
bonds (distance) P-C4' energy: -99.520
flat angles C4'-P-C4' energy: -141.202
flat angles P-C4'-P energy: -97.131
tors. eta vs tors. theta energy: -160.547
Dist. restrs. and SS energy: 2.998 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -1884.768904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.768904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.558597 (E_RNA)
where:
Base-Base interactions energy: -1303.213
where: short stacking energy: -527.249
Base-Backbone interact. energy: -1.046
local terms energy: -583.298982
where:
bonds (distance) C4'-P energy: -126.174
bonds (distance) P-C4' energy: -124.757
flat angles C4'-P-C4' energy: -127.685
flat angles P-C4'-P energy: -74.667
tors. eta vs tors. theta energy: -130.016
Dist. restrs. and SS energy: 2.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -2943.034925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2943.034925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2945.925849 (E_RNA)
where:
Base-Base interactions energy: -2077.464
where: short stacking energy: -866.881
Base-Backbone interact. energy: -2.200
local terms energy: -866.261164
where:
bonds (distance) C4'-P energy: -157.638
bonds (distance) P-C4' energy: -157.187
flat angles C4'-P-C4' energy: -193.476
flat angles P-C4'-P energy: -111.248
tors. eta vs tors. theta energy: -246.712
Dist. restrs. and SS energy: 2.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -2794.273344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.273344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.483087 (E_RNA)
where:
Base-Base interactions energy: -1924.396
where: short stacking energy: -797.192
Base-Backbone interact. energy: -2.037
local terms energy: -870.050841
where:
bonds (distance) C4'-P energy: -153.253
bonds (distance) P-C4' energy: -176.481
flat angles C4'-P-C4' energy: -186.941
flat angles P-C4'-P energy: -128.376
tors. eta vs tors. theta energy: -225.000
Dist. restrs. and SS energy: 2.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -2661.844669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.844669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.290006 (E_RNA)
where:
Base-Base interactions energy: -1814.765
where: short stacking energy: -751.682
Base-Backbone interact. energy: 4.636
local terms energy: -854.161151
where:
bonds (distance) C4'-P energy: -151.248
bonds (distance) P-C4' energy: -165.836
flat angles C4'-P-C4' energy: -188.991
flat angles P-C4'-P energy: -116.881
tors. eta vs tors. theta energy: -231.204
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: 6
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -2468.596884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.596884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.395938 (E_RNA)
where:
Base-Base interactions energy: -1696.637
where: short stacking energy: -727.370
Base-Backbone interact. energy: 3.146
local terms energy: -776.905377
where:
bonds (distance) C4'-P energy: -152.836
bonds (distance) P-C4' energy: -137.957
flat angles C4'-P-C4' energy: -169.602
flat angles P-C4'-P energy: -108.717
tors. eta vs tors. theta energy: -207.794
Dist. restrs. and SS energy: 1.799 (S_DIST_RNA)
chem. 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: -2379.309953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.309953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.492090 (E_RNA)
where:
Base-Base interactions energy: -1626.753
where: short stacking energy: -692.621
Base-Backbone interact. energy: 6.143
local terms energy: -760.882181
where:
bonds (distance) C4'-P energy: -149.530
bonds (distance) P-C4' energy: -139.715
flat angles C4'-P-C4' energy: -176.302
flat angles P-C4'-P energy: -97.479
tors. eta vs tors. theta energy: -197.856
Dist. restrs. and SS energy: 2.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -2238.720417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.720417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.707614 (E_RNA)
where:
Base-Base interactions energy: -1511.446
where: short stacking energy: -655.680
Base-Backbone interact. energy: 0.441
local terms energy: -729.703193
where:
bonds (distance) C4'-P energy: -144.057
bonds (distance) P-C4' energy: -133.573
flat angles C4'-P-C4' energy: -165.507
flat angles P-C4'-P energy: -111.728
tors. eta vs tors. theta energy: -174.838
Dist. restrs. and SS energy: 1.987 (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: 8
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -2197.063056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.063056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.226346 (E_RNA)
where:
Base-Base interactions energy: -1486.131
where: short stacking energy: -640.301
Base-Backbone interact. energy: -2.285
local terms energy: -710.810600
where:
bonds (distance) C4'-P energy: -132.195
bonds (distance) P-C4' energy: -128.054
flat angles C4'-P-C4' energy: -154.633
flat angles P-C4'-P energy: -112.158
tors. eta vs tors. theta energy: -183.771
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: 8, replica: 10
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -2034.983842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.983842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.879811 (E_RNA)
where:
Base-Base interactions energy: -1373.837
where: short stacking energy: -591.428
Base-Backbone interact. energy: 1.974
local terms energy: -666.016916
where:
bonds (distance) C4'-P energy: -131.150
bonds (distance) P-C4' energy: -136.153
flat angles C4'-P-C4' energy: -143.094
flat angles P-C4'-P energy: -92.079
tors. eta vs tors. theta energy: -163.541
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: 9, replica: 3
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -1898.963595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.963595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.858082 (E_RNA)
where:
Base-Base interactions energy: -1310.786
where: short stacking energy: -547.596
Base-Backbone interact. energy: 9.433
local terms energy: -601.504995
where:
bonds (distance) C4'-P energy: -123.183
bonds (distance) P-C4' energy: -110.816
flat angles C4'-P-C4' energy: -146.143
flat angles P-C4'-P energy: -93.288
tors. eta vs tors. theta energy: -128.075
Dist. restrs. and SS energy: 3.894 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -1893.912635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.912635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.833128 (E_RNA)
where:
Base-Base interactions energy: -1300.874
where: short stacking energy: -543.388
Base-Backbone interact. energy: 3.849
local terms energy: -599.808075
where:
bonds (distance) C4'-P energy: -119.983
bonds (distance) P-C4' energy: -119.860
flat angles C4'-P-C4' energy: -136.230
flat angles P-C4'-P energy: -68.263
tors. eta vs tors. theta energy: -155.472
Dist. restrs. and SS energy: 2.920 (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: 9
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -2957.393861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2957.393861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2959.791202 (E_RNA)
where:
Base-Base interactions energy: -2081.194
where: short stacking energy: -837.744
Base-Backbone interact. energy: 4.343
local terms energy: -882.939792
where:
bonds (distance) C4'-P energy: -160.453
bonds (distance) P-C4' energy: -160.716
flat angles C4'-P-C4' energy: -180.234
flat angles P-C4'-P energy: -128.701
tors. eta vs tors. theta energy: -252.836
Dist. restrs. and SS energy: 2.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -2829.716561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2829.716561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2832.219181 (E_RNA)
where:
Base-Base interactions energy: -1965.406
where: short stacking energy: -816.339
Base-Backbone interact. energy: -3.430
local terms energy: -863.382539
where:
bonds (distance) C4'-P energy: -159.002
bonds (distance) P-C4' energy: -161.479
flat angles C4'-P-C4' energy: -191.900
flat angles P-C4'-P energy: -117.608
tors. eta vs tors. theta energy: -233.393
Dist. restrs. and SS energy: 2.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -2661.727292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.727292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.563311 (E_RNA)
where:
Base-Base interactions energy: -1835.673
where: short stacking energy: -747.782
Base-Backbone interact. energy: -1.852
local terms energy: -827.037941
where:
bonds (distance) C4'-P energy: -162.985
bonds (distance) P-C4' energy: -145.534
flat angles C4'-P-C4' energy: -177.833
flat angles P-C4'-P energy: -120.823
tors. eta vs tors. theta energy: -219.863
Dist. restrs. and SS energy: 2.836 (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: 6
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -2448.117123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.117123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.605101 (E_RNA)
where:
Base-Base interactions energy: -1665.097
where: short stacking energy: -704.330
Base-Backbone interact. energy: -0.152
local terms energy: -784.356248
where:
bonds (distance) C4'-P energy: -140.490
bonds (distance) P-C4' energy: -155.829
flat angles C4'-P-C4' energy: -173.221
flat angles P-C4'-P energy: -104.766
tors. eta vs tors. theta energy: -210.050
Dist. restrs. and SS energy: 1.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -2444.916655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.916655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.038581 (E_RNA)
where:
Base-Base interactions energy: -1702.859
where: short stacking energy: -715.154
Base-Backbone interact. energy: 6.348
local terms energy: -750.527685
where:
bonds (distance) C4'-P energy: -128.728
bonds (distance) P-C4' energy: -137.917
flat angles C4'-P-C4' energy: -167.745
flat angles P-C4'-P energy: -114.073
tors. eta vs tors. theta energy: -202.065
Dist. restrs. and SS energy: 2.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -2217.973143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.973143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.120898 (E_RNA)
where:
Base-Base interactions energy: -1462.260
where: short stacking energy: -646.190
Base-Backbone interact. energy: -5.789
local terms energy: -752.071412
where:
bonds (distance) C4'-P energy: -149.563
bonds (distance) P-C4' energy: -147.030
flat angles C4'-P-C4' energy: -166.184
flat angles P-C4'-P energy: -112.035
tors. eta vs tors. theta energy: -177.259
Dist. restrs. and SS energy: 2.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -2121.777577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.777577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.508342 (E_RNA)
where:
Base-Base interactions energy: -1449.957
where: short stacking energy: -601.596
Base-Backbone interact. energy: 1.254
local terms energy: -675.805366
where:
bonds (distance) C4'-P energy: -122.415
bonds (distance) P-C4' energy: -144.698
flat angles C4'-P-C4' energy: -159.217
flat angles P-C4'-P energy: -88.518
tors. eta vs tors. theta energy: -160.958
Dist. restrs. and SS energy: 2.731 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -2011.177928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.177928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.623607 (E_RNA)
where:
Base-Base interactions energy: -1368.047
where: short stacking energy: -576.863
Base-Backbone interact. energy: 4.928
local terms energy: -650.504248
where:
bonds (distance) C4'-P energy: -112.842
bonds (distance) P-C4' energy: -117.758
flat angles C4'-P-C4' energy: -156.206
flat angles P-C4'-P energy: -95.384
tors. eta vs tors. theta energy: -168.314
Dist. restrs. and SS energy: 2.446 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -1942.393736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.393736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.800462 (E_RNA)
where:
Base-Base interactions energy: -1300.517
where: short stacking energy: -551.657
Base-Backbone interact. energy: -1.675
local terms energy: -644.608503
where:
bonds (distance) C4'-P energy: -129.431
bonds (distance) P-C4' energy: -127.301
flat angles C4'-P-C4' energy: -154.273
flat angles P-C4'-P energy: -84.008
tors. eta vs tors. theta energy: -149.596
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: 10, replica: 3
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -1893.183780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.183780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.397361 (E_RNA)
where:
Base-Base interactions energy: -1286.084
where: short stacking energy: -532.516
Base-Backbone interact. energy: -1.528
local terms energy: -610.785707
where:
bonds (distance) C4'-P energy: -126.872
bonds (distance) P-C4' energy: -140.869
flat angles C4'-P-C4' energy: -139.614
flat angles P-C4'-P energy: -71.070
tors. eta vs tors. theta energy: -132.361
Dist. restrs. and SS energy: 5.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -2965.749715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2965.749715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2968.073816 (E_RNA)
where:
Base-Base interactions energy: -2085.659
where: short stacking energy: -838.939
Base-Backbone interact. energy: -2.929
local terms energy: -879.485519
where:
bonds (distance) C4'-P energy: -158.342
bonds (distance) P-C4' energy: -166.733
flat angles C4'-P-C4' energy: -188.361
flat angles P-C4'-P energy: -121.914
tors. eta vs tors. theta energy: -244.135
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: 2, replica: 4
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -2827.635922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2827.635922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2829.340689 (E_RNA)
where:
Base-Base interactions energy: -1969.376
where: short stacking energy: -805.293
Base-Backbone interact. energy: -4.571
local terms energy: -855.393248
where:
bonds (distance) C4'-P energy: -157.280
bonds (distance) P-C4' energy: -174.992
flat angles C4'-P-C4' energy: -176.334
flat angles P-C4'-P energy: -117.441
tors. eta vs tors. theta energy: -229.347
Dist. restrs. and SS energy: 1.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -2718.917650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.917650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.919082 (E_RNA)
where:
Base-Base interactions energy: -1893.645
where: short stacking energy: -774.837
Base-Backbone interact. energy: -3.809
local terms energy: -823.465591
where:
bonds (distance) C4'-P energy: -139.261
bonds (distance) P-C4' energy: -161.852
flat angles C4'-P-C4' energy: -169.456
flat angles P-C4'-P energy: -129.105
tors. eta vs tors. theta energy: -223.791
Dist. restrs. and SS energy: 2.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -2461.948101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.948101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.891952 (E_RNA)
where:
Base-Base interactions energy: -1676.340
where: short stacking energy: -755.858
Base-Backbone interact. energy: 2.763
local terms energy: -791.315002
where:
bonds (distance) C4'-P energy: -148.908
bonds (distance) P-C4' energy: -139.603
flat angles C4'-P-C4' energy: -169.147
flat angles P-C4'-P energy: -121.437
tors. eta vs tors. theta energy: -212.220
Dist. restrs. and SS energy: 2.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -2386.477184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.477184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.379274 (E_RNA)
where:
Base-Base interactions energy: -1622.161
where: short stacking energy: -691.049
Base-Backbone interact. energy: -1.027
local terms energy: -765.191098
where:
bonds (distance) C4'-P energy: -140.416
bonds (distance) P-C4' energy: -135.179
flat angles C4'-P-C4' energy: -168.109
flat angles P-C4'-P energy: -115.394
tors. eta vs tors. theta energy: -206.093
Dist. restrs. and SS energy: 1.902 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -2256.403397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.403397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.619956 (E_RNA)
where:
Base-Base interactions energy: -1512.331
where: short stacking energy: -660.038
Base-Backbone interact. energy: 0.219
local terms energy: -745.508105
where:
bonds (distance) C4'-P energy: -147.045
bonds (distance) P-C4' energy: -141.907
flat angles C4'-P-C4' energy: -156.731
flat angles P-C4'-P energy: -101.590
tors. eta vs tors. theta energy: -198.235
Dist. restrs. and SS energy: 1.217 (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: 8
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -2134.155859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.155859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.446604 (E_RNA)
where:
Base-Base interactions energy: -1458.525
where: short stacking energy: -597.177
Base-Backbone interact. energy: -4.007
local terms energy: -672.914465
where:
bonds (distance) C4'-P energy: -136.228
bonds (distance) P-C4' energy: -132.251
flat angles C4'-P-C4' energy: -165.596
flat angles P-C4'-P energy: -83.501
tors. eta vs tors. theta energy: -155.339
Dist. restrs. and SS energy: 1.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -2051.245937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.245937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.693963 (E_RNA)
where:
Base-Base interactions energy: -1383.274
where: short stacking energy: -603.686
Base-Backbone interact. energy: -3.765
local terms energy: -667.655066
where:
bonds (distance) C4'-P energy: -119.696
bonds (distance) P-C4' energy: -138.812
flat angles C4'-P-C4' energy: -159.676
flat angles P-C4'-P energy: -92.998
tors. eta vs tors. theta energy: -156.473
Dist. restrs. and SS energy: 3.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -1987.294983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.294983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.038475 (E_RNA)
where:
Base-Base interactions energy: -1351.583
where: short stacking energy: -544.601
Base-Backbone interact. energy: 4.039
local terms energy: -641.494813
where:
bonds (distance) C4'-P energy: -108.401
bonds (distance) P-C4' energy: -139.349
flat angles C4'-P-C4' energy: -155.499
flat angles P-C4'-P energy: -93.508
tors. eta vs tors. theta energy: -144.737
Dist. restrs. and SS energy: 1.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -1838.160239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.160239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.161975 (E_RNA)
where:
Base-Base interactions energy: -1242.603
where: short stacking energy: -529.491
Base-Backbone interact. energy: 2.681
local terms energy: -601.239921
where:
bonds (distance) C4'-P energy: -111.677
bonds (distance) P-C4' energy: -143.187
flat angles C4'-P-C4' energy: -135.109
flat angles P-C4'-P energy: -74.076
tors. eta vs tors. theta energy: -137.192
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: 1, replica: 9
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -2955.144720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2955.144720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2956.856190 (E_RNA)
where:
Base-Base interactions energy: -2065.273
where: short stacking energy: -841.873
Base-Backbone interact. energy: -5.287
local terms energy: -886.295949
where:
bonds (distance) C4'-P energy: -160.810
bonds (distance) P-C4' energy: -153.402
flat angles C4'-P-C4' energy: -200.757
flat angles P-C4'-P energy: -134.250
tors. eta vs tors. theta energy: -237.076
Dist. restrs. and SS energy: 1.711 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -2827.481805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2827.481805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2830.816986 (E_RNA)
where:
Base-Base interactions energy: -1939.499
where: short stacking energy: -816.270
Base-Backbone interact. energy: 3.229
local terms energy: -894.546642
where:
bonds (distance) C4'-P energy: -163.217
bonds (distance) P-C4' energy: -166.232
flat angles C4'-P-C4' energy: -190.470
flat angles P-C4'-P energy: -124.764
tors. eta vs tors. theta energy: -249.863
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: 3, replica: 7
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -2697.765343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.765343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.418146 (E_RNA)
where:
Base-Base interactions energy: -1837.011
where: short stacking energy: -741.950
Base-Backbone interact. energy: -5.432
local terms energy: -856.975410
where:
bonds (distance) C4'-P energy: -171.262
bonds (distance) P-C4' energy: -165.000
flat angles C4'-P-C4' energy: -185.508
flat angles P-C4'-P energy: -111.775
tors. eta vs tors. theta energy: -223.431
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: 4, replica: 6
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -2461.109135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.109135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.178468 (E_RNA)
where:
Base-Base interactions energy: -1685.538
where: short stacking energy: -718.245
Base-Backbone interact. energy: -3.459
local terms energy: -774.181847
where:
bonds (distance) C4'-P energy: -125.118
bonds (distance) P-C4' energy: -155.660
flat angles C4'-P-C4' energy: -163.980
flat angles P-C4'-P energy: -127.151
tors. eta vs tors. theta energy: -202.273
Dist. restrs. and SS energy: 2.069 (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: 5
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -2398.849732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.849732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.250580 (E_RNA)
where:
Base-Base interactions energy: -1625.620
where: short stacking energy: -682.553
Base-Backbone interact. energy: -1.286
local terms energy: -773.344637
where:
bonds (distance) C4'-P energy: -135.407
bonds (distance) P-C4' energy: -150.633
flat angles C4'-P-C4' energy: -169.335
flat angles P-C4'-P energy: -99.726
tors. eta vs tors. theta energy: -218.244
Dist. restrs. and SS energy: 1.401 (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: 2
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -2203.919186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.919186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.526894 (E_RNA)
where:
Base-Base interactions energy: -1503.294
where: short stacking energy: -653.427
Base-Backbone interact. energy: -1.742
local terms energy: -701.490477
where:
bonds (distance) C4'-P energy: -128.819
bonds (distance) P-C4' energy: -139.523
flat angles C4'-P-C4' energy: -155.003
flat angles P-C4'-P energy: -100.303
tors. eta vs tors. theta energy: -177.842
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: 7, replica: 8
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -2148.056498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.056498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.329039 (E_RNA)
where:
Base-Base interactions energy: -1493.557
where: short stacking energy: -641.409
Base-Backbone interact. energy: -2.399
local terms energy: -656.372803
where:
bonds (distance) C4'-P energy: -132.635
bonds (distance) P-C4' energy: -128.143
flat angles C4'-P-C4' energy: -152.196
flat angles P-C4'-P energy: -81.779
tors. eta vs tors. theta energy: -161.620
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: 8, replica: 1
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -2027.397085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.397085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.051385 (E_RNA)
where:
Base-Base interactions energy: -1340.094
where: short stacking energy: -598.797
Base-Backbone interact. energy: -1.051
local terms energy: -688.906266
where:
bonds (distance) C4'-P energy: -141.727
bonds (distance) P-C4' energy: -134.388
flat angles C4'-P-C4' energy: -149.790
flat angles P-C4'-P energy: -99.369
tors. eta vs tors. theta energy: -163.633
Dist. restrs. and SS energy: 2.654 (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: 3
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -1950.228638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.228638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.512730 (E_RNA)
where:
Base-Base interactions energy: -1331.686
where: short stacking energy: -554.946
Base-Backbone interact. energy: -0.641
local terms energy: -621.185578
where:
bonds (distance) C4'-P energy: -133.795
bonds (distance) P-C4' energy: -116.885
flat angles C4'-P-C4' energy: -138.259
flat angles P-C4'-P energy: -80.792
tors. eta vs tors. theta energy: -151.455
Dist. restrs. and SS energy: 3.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -1893.658413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.658413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.893797 (E_RNA)
where:
Base-Base interactions energy: -1307.966
where: short stacking energy: -540.477
Base-Backbone interact. energy: 1.388
local terms energy: -588.315741
where:
bonds (distance) C4'-P energy: -120.095
bonds (distance) P-C4' energy: -108.434
flat angles C4'-P-C4' energy: -142.801
flat angles P-C4'-P energy: -79.643
tors. eta vs tors. theta energy: -137.342
Dist. restrs. and SS energy: 1.235 (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: 9
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -2947.501169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2947.501169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2949.800691 (E_RNA)
where:
Base-Base interactions energy: -2053.664
where: short stacking energy: -833.207
Base-Backbone interact. energy: -2.117
local terms energy: -894.020270
where:
bonds (distance) C4'-P energy: -170.774
bonds (distance) P-C4' energy: -167.417
flat angles C4'-P-C4' energy: -173.280
flat angles P-C4'-P energy: -134.091
tors. eta vs tors. theta energy: -248.459
Dist. restrs. and SS energy: 2.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -2801.679301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2801.679301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.299265 (E_RNA)
where:
Base-Base interactions energy: -1956.851
where: short stacking energy: -839.534
Base-Backbone interact. energy: -0.169
local terms energy: -846.278969
where:
bonds (distance) C4'-P energy: -148.625
bonds (distance) P-C4' energy: -163.196
flat angles C4'-P-C4' energy: -176.829
flat angles P-C4'-P energy: -119.609
tors. eta vs tors. theta energy: -238.020
Dist. restrs. and SS energy: 1.620 (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: 7
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -2694.486654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.486654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.259880 (E_RNA)
where:
Base-Base interactions energy: -1885.429
where: short stacking energy: -793.159
Base-Backbone interact. energy: -1.651
local terms energy: -809.179697
where:
bonds (distance) C4'-P energy: -143.412
bonds (distance) P-C4' energy: -153.163
flat angles C4'-P-C4' energy: -173.152
flat angles P-C4'-P energy: -112.036
tors. eta vs tors. theta energy: -227.417
Dist. restrs. and SS energy: 1.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -2485.140529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.140529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.703082 (E_RNA)
where:
Base-Base interactions energy: -1685.968
where: short stacking energy: -735.719
Base-Backbone interact. energy: 1.619
local terms energy: -802.354102
where:
bonds (distance) C4'-P energy: -152.771
bonds (distance) P-C4' energy: -150.514
flat angles C4'-P-C4' energy: -165.221
flat angles P-C4'-P energy: -129.607
tors. eta vs tors. theta energy: -204.241
Dist. restrs. and SS energy: 1.563 (S_DIST_RNA)
chem. 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: -2416.624308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.624308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.940632 (E_RNA)
where:
Base-Base interactions energy: -1636.877
where: short stacking energy: -703.625
Base-Backbone interact. energy: -1.346
local terms energy: -780.717384
where:
bonds (distance) C4'-P energy: -135.323
bonds (distance) P-C4' energy: -158.394
flat angles C4'-P-C4' energy: -172.263
flat angles P-C4'-P energy: -103.579
tors. eta vs tors. theta energy: -211.159
Dist. restrs. and SS energy: 2.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -2280.908555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.908555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.338016 (E_RNA)
where:
Base-Base interactions energy: -1584.949
where: short stacking energy: -692.029
Base-Backbone interact. energy: -5.776
local terms energy: -691.613000
where:
bonds (distance) C4'-P energy: -136.133
bonds (distance) P-C4' energy: -135.836
flat angles C4'-P-C4' energy: -145.068
flat angles P-C4'-P energy: -89.302
tors. eta vs tors. theta energy: -185.275
Dist. restrs. and SS energy: 1.429 (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: 2
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -2149.365476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.365476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.697567 (E_RNA)
where:
Base-Base interactions energy: -1439.788
where: short stacking energy: -615.368
Base-Backbone interact. energy: -1.988
local terms energy: -709.922046
where:
bonds (distance) C4'-P energy: -130.508
bonds (distance) P-C4' energy: -147.896
flat angles C4'-P-C4' energy: -157.761
flat angles P-C4'-P energy: -103.489
tors. eta vs tors. theta energy: -170.267
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: 8, replica: 1
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -2026.258498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.258498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.623615 (E_RNA)
where:
Base-Base interactions energy: -1371.298
where: short stacking energy: -579.348
Base-Backbone interact. energy: -0.776
local terms energy: -656.549771
where:
bonds (distance) C4'-P energy: -144.835
bonds (distance) P-C4' energy: -132.352
flat angles C4'-P-C4' energy: -138.851
flat angles P-C4'-P energy: -91.211
tors. eta vs tors. theta energy: -149.300
Dist. restrs. and SS energy: 2.365 (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: 3
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -1883.377170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.377170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.110412 (E_RNA)
where:
Base-Base interactions energy: -1275.041
where: short stacking energy: -538.381
Base-Backbone interact. energy: 1.435
local terms energy: -612.503979
where:
bonds (distance) C4'-P energy: -127.319
bonds (distance) P-C4' energy: -121.924
flat angles C4'-P-C4' energy: -146.927
flat angles P-C4'-P energy: -81.867
tors. eta vs tors. theta energy: -134.467
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: 10, replica: 10
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -1884.496289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.496289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.607384 (E_RNA)
where:
Base-Base interactions energy: -1283.595
where: short stacking energy: -539.397
Base-Backbone interact. energy: 4.523
local terms energy: -609.535997
where:
bonds (distance) C4'-P energy: -134.617
bonds (distance) P-C4' energy: -130.361
flat angles C4'-P-C4' energy: -126.250
flat angles P-C4'-P energy: -84.830
tors. eta vs tors. theta energy: -133.478
Dist. restrs. and SS energy: 4.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -2952.571368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2952.571368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2954.663900 (E_RNA)
where:
Base-Base interactions energy: -2069.517
where: short stacking energy: -847.986
Base-Backbone interact. energy: 2.504
local terms energy: -887.651674
where:
bonds (distance) C4'-P energy: -153.731
bonds (distance) P-C4' energy: -171.477
flat angles C4'-P-C4' energy: -188.160
flat angles P-C4'-P energy: -125.344
tors. eta vs tors. theta energy: -248.939
Dist. restrs. and SS energy: 2.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -2822.021975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.021975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2823.621142 (E_RNA)
where:
Base-Base interactions energy: -1957.548
where: short stacking energy: -830.928
Base-Backbone interact. energy: 1.718
local terms energy: -867.791554
where:
bonds (distance) C4'-P energy: -157.671
bonds (distance) P-C4' energy: -164.852
flat angles C4'-P-C4' energy: -175.316
flat angles P-C4'-P energy: -126.605
tors. eta vs tors. theta energy: -243.349
Dist. restrs. and SS energy: 1.599 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -2693.751497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.751497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.056512 (E_RNA)
where:
Base-Base interactions energy: -1870.647
where: short stacking energy: -772.400
Base-Backbone interact. energy: -2.347
local terms energy: -822.062577
where:
bonds (distance) C4'-P energy: -154.118
bonds (distance) P-C4' energy: -147.517
flat angles C4'-P-C4' energy: -172.153
flat angles P-C4'-P energy: -118.329
tors. eta vs tors. theta energy: -229.945
Dist. restrs. and SS energy: 1.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -2447.453488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.453488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.117689 (E_RNA)
where:
Base-Base interactions energy: -1648.589
where: short stacking energy: -702.229
Base-Backbone interact. energy: -1.845
local terms energy: -798.684124
where:
bonds (distance) C4'-P energy: -157.830
bonds (distance) P-C4' energy: -157.944
flat angles C4'-P-C4' energy: -162.505
flat angles P-C4'-P energy: -116.642
tors. eta vs tors. theta energy: -203.763
Dist. restrs. and SS energy: 1.664 (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: 304
Temperature: 1.100000
Total energy: -2400.851033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.851033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.856595 (E_RNA)
where:
Base-Base interactions energy: -1631.811
where: short stacking energy: -696.645
Base-Backbone interact. energy: -2.195
local terms energy: -768.850857
where:
bonds (distance) C4'-P energy: -124.009
bonds (distance) P-C4' energy: -159.364
flat angles C4'-P-C4' energy: -171.107
flat angles P-C4'-P energy: -99.093
tors. eta vs tors. theta energy: -215.278
Dist. restrs. and SS energy: 2.006 (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: 8
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -2260.197245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.197245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.161379 (E_RNA)
where:
Base-Base interactions energy: -1541.545
where: short stacking energy: -642.471
Base-Backbone interact. energy: -4.206
local terms energy: -716.410577
where:
bonds (distance) C4'-P energy: -132.988
bonds (distance) P-C4' energy: -139.115
flat angles C4'-P-C4' energy: -154.142
flat angles P-C4'-P energy: -116.282
tors. eta vs tors. theta energy: -173.883
Dist. restrs. and SS energy: 1.964 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -2153.160692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.160692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.475544 (E_RNA)
where:
Base-Base interactions energy: -1448.689
where: short stacking energy: -630.331
Base-Backbone interact. energy: -2.596
local terms energy: -704.190428
where:
bonds (distance) C4'-P energy: -136.746
bonds (distance) P-C4' energy: -137.694
flat angles C4'-P-C4' energy: -158.462
flat angles P-C4'-P energy: -95.070
tors. eta vs tors. theta energy: -176.218
Dist. restrs. and SS energy: 2.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -2014.537781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.537781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.021163 (E_RNA)
where:
Base-Base interactions energy: -1351.863
where: short stacking energy: -581.534
Base-Backbone interact. energy: -0.780
local terms energy: -663.378275
where:
bonds (distance) C4'-P energy: -119.472
bonds (distance) P-C4' energy: -145.570
flat angles C4'-P-C4' energy: -155.847
flat angles P-C4'-P energy: -86.778
tors. eta vs tors. theta energy: -155.712
Dist. restrs. and SS energy: 1.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -1917.119177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.119177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.472440 (E_RNA)
where:
Base-Base interactions energy: -1310.078
where: short stacking energy: -523.935
Base-Backbone interact. energy: 0.252
local terms energy: -611.646352
where:
bonds (distance) C4'-P energy: -124.629
bonds (distance) P-C4' energy: -122.940
flat angles C4'-P-C4' energy: -147.037
flat angles P-C4'-P energy: -98.631
tors. eta vs tors. theta energy: -118.410
Dist. restrs. and SS energy: 4.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -1840.532021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.532021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.432561 (E_RNA)
where:
Base-Base interactions energy: -1245.668
where: short stacking energy: -508.404
Base-Backbone interact. energy: -1.693
local terms energy: -598.071510
where:
bonds (distance) C4'-P energy: -115.540
bonds (distance) P-C4' energy: -125.876
flat angles C4'-P-C4' energy: -136.747
flat angles P-C4'-P energy: -92.736
tors. eta vs tors. theta energy: -127.174
Dist. restrs. and SS energy: 4.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -2941.214599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2941.214599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2944.032878 (E_RNA)
where:
Base-Base interactions energy: -2048.942
where: short stacking energy: -832.892
Base-Backbone interact. energy: -2.691
local terms energy: -892.400157
where:
bonds (distance) C4'-P energy: -160.929
bonds (distance) P-C4' energy: -165.421
flat angles C4'-P-C4' energy: -192.323
flat angles P-C4'-P energy: -133.109
tors. eta vs tors. theta energy: -240.618
Dist. restrs. and SS energy: 2.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -2804.445633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2804.445633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.202715 (E_RNA)
where:
Base-Base interactions energy: -1931.302
where: short stacking energy: -815.339
Base-Backbone interact. energy: -0.219
local terms energy: -874.681630
where:
bonds (distance) C4'-P energy: -148.734
bonds (distance) P-C4' energy: -167.330
flat angles C4'-P-C4' energy: -185.315
flat angles P-C4'-P energy: -127.594
tors. eta vs tors. theta energy: -245.708
Dist. restrs. and SS energy: 1.757 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -2681.350453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.350453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.092591 (E_RNA)
where:
Base-Base interactions energy: -1840.515
where: short stacking energy: -744.343
Base-Backbone interact. energy: 2.388
local terms energy: -844.964770
where:
bonds (distance) C4'-P energy: -152.563
bonds (distance) P-C4' energy: -157.511
flat angles C4'-P-C4' energy: -179.201
flat angles P-C4'-P energy: -129.952
tors. eta vs tors. theta energy: -225.739
Dist. restrs. and SS energy: 1.742 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -2497.275872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.275872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.580563 (E_RNA)
where:
Base-Base interactions energy: -1721.024
where: short stacking energy: -723.006
Base-Backbone interact. energy: -2.576
local terms energy: -774.980490
where:
bonds (distance) C4'-P energy: -150.331
bonds (distance) P-C4' energy: -135.827
flat angles C4'-P-C4' energy: -181.359
flat angles P-C4'-P energy: -106.155
tors. eta vs tors. theta energy: -201.309
Dist. restrs. and SS energy: 1.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -2417.651971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.651971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.635188 (E_RNA)
where:
Base-Base interactions energy: -1658.900
where: short stacking energy: -692.833
Base-Backbone interact. energy: -3.290
local terms energy: -757.445181
where:
bonds (distance) C4'-P energy: -143.609
bonds (distance) P-C4' energy: -153.395
flat angles C4'-P-C4' energy: -161.487
flat angles P-C4'-P energy: -102.742
tors. eta vs tors. theta energy: -196.211
Dist. restrs. and SS energy: 1.983 (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: 8
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -2297.795926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.795926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.189434 (E_RNA)
where:
Base-Base interactions energy: -1544.193
where: short stacking energy: -636.296
Base-Backbone interact. energy: -2.103
local terms energy: -752.892845
where:
bonds (distance) C4'-P energy: -141.293
bonds (distance) P-C4' energy: -148.688
flat angles C4'-P-C4' energy: -154.639
flat angles P-C4'-P energy: -118.128
tors. eta vs tors. theta energy: -190.145
Dist. restrs. and SS energy: 1.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -2082.228207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.228207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.780759 (E_RNA)
where:
Base-Base interactions energy: -1424.595
where: short stacking energy: -588.971
Base-Backbone interact. energy: -3.828
local terms energy: -655.357476
where:
bonds (distance) C4'-P energy: -137.636
bonds (distance) P-C4' energy: -128.062
flat angles C4'-P-C4' energy: -132.610
flat angles P-C4'-P energy: -82.873
tors. eta vs tors. theta energy: -174.175
Dist. restrs. and SS energy: 1.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -2026.956679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.956679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.780775 (E_RNA)
where:
Base-Base interactions energy: -1373.826
where: short stacking energy: -581.536
Base-Backbone interact. energy: 4.197
local terms energy: -659.151564
where:
bonds (distance) C4'-P energy: -126.136
bonds (distance) P-C4' energy: -141.186
flat angles C4'-P-C4' energy: -139.160
flat angles P-C4'-P energy: -95.705
tors. eta vs tors. theta energy: -156.965
Dist. restrs. and SS energy: 1.824 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -1881.956917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.956917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.212224 (E_RNA)
where:
Base-Base interactions energy: -1269.406
where: short stacking energy: -536.685
Base-Backbone interact. energy: 1.902
local terms energy: -620.707272
where:
bonds (distance) C4'-P energy: -111.826
bonds (distance) P-C4' energy: -142.728
flat angles C4'-P-C4' energy: -148.299
flat angles P-C4'-P energy: -75.435
tors. eta vs tors. theta energy: -142.420
Dist. restrs. and SS energy: 6.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -1869.191311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.191311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.476269 (E_RNA)
where:
Base-Base interactions energy: -1239.940
where: short stacking energy: -529.002
Base-Backbone interact. energy: -1.251
local terms energy: -634.284447
where:
bonds (distance) C4'-P energy: -141.224
bonds (distance) P-C4' energy: -142.761
flat angles C4'-P-C4' energy: -133.677
flat angles P-C4'-P energy: -84.932
tors. eta vs tors. theta energy: -131.690
Dist. restrs. and SS energy: 6.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -2919.539866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2919.539866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2922.148479 (E_RNA)
where:
Base-Base interactions energy: -2070.430
where: short stacking energy: -832.898
Base-Backbone interact. energy: 6.510
local terms energy: -858.227997
where:
bonds (distance) C4'-P energy: -152.098
bonds (distance) P-C4' energy: -153.575
flat angles C4'-P-C4' energy: -194.336
flat angles P-C4'-P energy: -117.124
tors. eta vs tors. theta energy: -241.094
Dist. restrs. and SS energy: 2.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -2790.736610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.736610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.245775 (E_RNA)
where:
Base-Base interactions energy: -1921.590
where: short stacking energy: -818.101
Base-Backbone interact. energy: 1.310
local terms energy: -872.965363
where:
bonds (distance) C4'-P energy: -157.916
bonds (distance) P-C4' energy: -167.635
flat angles C4'-P-C4' energy: -184.843
flat angles P-C4'-P energy: -120.075
tors. eta vs tors. theta energy: -242.496
Dist. restrs. and SS energy: 2.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -2690.097923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.097923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.424442 (E_RNA)
where:
Base-Base interactions energy: -1856.366
where: short stacking energy: -771.642
Base-Backbone interact. energy: -1.741
local terms energy: -833.317512
where:
bonds (distance) C4'-P energy: -162.142
bonds (distance) P-C4' energy: -171.307
flat angles C4'-P-C4' energy: -168.502
flat angles P-C4'-P energy: -113.215
tors. eta vs tors. theta energy: -218.151
Dist. restrs. and SS energy: 1.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -2486.129534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.129534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.684700 (E_RNA)
where:
Base-Base interactions energy: -1698.710
where: short stacking energy: -730.982
Base-Backbone interact. energy: 9.315
local terms energy: -798.289739
where:
bonds (distance) C4'-P energy: -153.434
bonds (distance) P-C4' energy: -156.661
flat angles C4'-P-C4' energy: -178.053
flat angles P-C4'-P energy: -112.573
tors. eta vs tors. theta energy: -197.569
Dist. restrs. and SS energy: 1.555 (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: 6
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -2423.378214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.378214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.823479 (E_RNA)
where:
Base-Base interactions energy: -1689.673
where: short stacking energy: -679.933
Base-Backbone interact. energy: 4.318
local terms energy: -739.468248
where:
bonds (distance) C4'-P energy: -143.104
bonds (distance) P-C4' energy: -133.348
flat angles C4'-P-C4' energy: -165.518
flat angles P-C4'-P energy: -100.224
tors. eta vs tors. theta energy: -197.275
Dist. restrs. and SS energy: 1.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -2275.783712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.783712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.323490 (E_RNA)
where:
Base-Base interactions energy: -1552.893
where: short stacking energy: -648.978
Base-Backbone interact. energy: -2.139
local terms energy: -722.291483
where:
bonds (distance) C4'-P energy: -116.808
bonds (distance) P-C4' energy: -146.250
flat angles C4'-P-C4' energy: -155.179
flat angles P-C4'-P energy: -112.719
tors. eta vs tors. theta energy: -191.335
Dist. restrs. and SS energy: 1.540 (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: 1
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -2092.639848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.639848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.409502 (E_RNA)
where:
Base-Base interactions energy: -1397.239
where: short stacking energy: -611.077
Base-Backbone interact. energy: -3.293
local terms energy: -693.877329
where:
bonds (distance) C4'-P energy: -122.339
bonds (distance) P-C4' energy: -164.929
flat angles C4'-P-C4' energy: -155.098
flat angles P-C4'-P energy: -88.326
tors. eta vs tors. theta energy: -163.185
Dist. restrs. and SS energy: 1.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -2052.229240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.229240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.071906 (E_RNA)
where:
Base-Base interactions energy: -1394.608
where: short stacking energy: -577.158
Base-Backbone interact. energy: -0.500
local terms energy: -658.963326
where:
bonds (distance) C4'-P energy: -123.313
bonds (distance) P-C4' energy: -135.297
flat angles C4'-P-C4' energy: -151.985
flat angles P-C4'-P energy: -98.929
tors. eta vs tors. theta energy: -149.439
Dist. restrs. and SS energy: 1.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -1933.097585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.097585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.784034 (E_RNA)
where:
Base-Base interactions energy: -1328.244
where: short stacking energy: -554.339
Base-Backbone interact. energy: 2.635
local terms energy: -610.175428
where:
bonds (distance) C4'-P energy: -126.662
bonds (distance) P-C4' energy: -124.688
flat angles C4'-P-C4' energy: -136.698
flat angles P-C4'-P energy: -89.675
tors. eta vs tors. theta energy: -132.452
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: 10, replica: 3
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -1845.953467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.953467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.706368 (E_RNA)
where:
Base-Base interactions energy: -1240.167
where: short stacking energy: -514.690
Base-Backbone interact. energy: 1.501
local terms energy: -612.039683
where:
bonds (distance) C4'-P energy: -136.364
bonds (distance) P-C4' energy: -118.074
flat angles C4'-P-C4' energy: -134.811
flat angles P-C4'-P energy: -89.281
tors. eta vs tors. theta energy: -133.510
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: 1, replica: 9
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -2944.824719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2944.824719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2947.208310 (E_RNA)
where:
Base-Base interactions energy: -2024.226
where: short stacking energy: -816.831
Base-Backbone interact. energy: -4.494
local terms energy: -918.487868
where:
bonds (distance) C4'-P energy: -168.864
bonds (distance) P-C4' energy: -173.614
flat angles C4'-P-C4' energy: -192.794
flat angles P-C4'-P energy: -138.568
tors. eta vs tors. theta energy: -244.648
Dist. restrs. and SS energy: 2.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -2795.860003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.860003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.125003 (E_RNA)
where:
Base-Base interactions energy: -1936.778
where: short stacking energy: -794.308
Base-Backbone interact. energy: -3.498
local terms energy: -856.848472
where:
bonds (distance) C4'-P energy: -144.705
bonds (distance) P-C4' energy: -175.910
flat angles C4'-P-C4' energy: -185.896
flat angles P-C4'-P energy: -117.733
tors. eta vs tors. theta energy: -232.604
Dist. restrs. and SS energy: 1.265 (S_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: 307
Temperature: 1.000000
Total energy: -2681.688036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.688036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.812847 (E_RNA)
where:
Base-Base interactions energy: -1857.051
where: short stacking energy: -754.074
Base-Backbone interact. energy: -0.124
local terms energy: -826.637109
where:
bonds (distance) C4'-P energy: -147.848
bonds (distance) P-C4' energy: -162.906
flat angles C4'-P-C4' energy: -169.578
flat angles P-C4'-P energy: -124.710
tors. eta vs tors. theta energy: -221.595
Dist. restrs. and SS energy: 2.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -2480.619703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.619703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.609677 (E_RNA)
where:
Base-Base interactions energy: -1675.192
where: short stacking energy: -726.795
Base-Backbone interact. energy: 4.844
local terms energy: -812.261799
where:
bonds (distance) C4'-P energy: -153.295
bonds (distance) P-C4' energy: -154.070
flat angles C4'-P-C4' energy: -185.813
flat angles P-C4'-P energy: -103.576
tors. eta vs tors. theta energy: -215.508
Dist. restrs. and SS energy: 1.990 (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: 6
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -2412.895935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.895935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.758057 (E_RNA)
where:
Base-Base interactions energy: -1660.246
where: short stacking energy: -684.476
Base-Backbone interact. energy: 5.240
local terms energy: -759.751211
where:
bonds (distance) C4'-P energy: -134.105
bonds (distance) P-C4' energy: -146.496
flat angles C4'-P-C4' energy: -170.877
flat angles P-C4'-P energy: -116.953
tors. eta vs tors. theta energy: -191.320
Dist. restrs. and SS energy: 1.862 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -2325.149720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.149720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.882474 (E_RNA)
where:
Base-Base interactions energy: -1571.263
where: short stacking energy: -659.923
Base-Backbone interact. energy: 4.446
local terms energy: -760.065480
where:
bonds (distance) C4'-P energy: -156.419
bonds (distance) P-C4' energy: -153.133
flat angles C4'-P-C4' energy: -165.906
flat angles P-C4'-P energy: -90.806
tors. eta vs tors. theta energy: -193.801
Dist. restrs. and SS energy: 1.733 (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: 1
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -2091.476445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.476445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.569498 (E_RNA)
where:
Base-Base interactions energy: -1400.139
where: short stacking energy: -614.248
Base-Backbone interact. energy: 4.932
local terms energy: -698.362898
where:
bonds (distance) C4'-P energy: -131.631
bonds (distance) P-C4' energy: -157.426
flat angles C4'-P-C4' energy: -151.672
flat angles P-C4'-P energy: -92.340
tors. eta vs tors. theta energy: -165.294
Dist. restrs. and SS energy: 2.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -1958.094176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.094176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.890903 (E_RNA)
where:
Base-Base interactions energy: -1335.113
where: short stacking energy: -580.978
Base-Backbone interact. energy: 5.163
local terms energy: -632.941135
where:
bonds (distance) C4'-P energy: -138.694
bonds (distance) P-C4' energy: -105.108
flat angles C4'-P-C4' energy: -145.185
flat angles P-C4'-P energy: -80.734
tors. eta vs tors. theta energy: -163.221
Dist. restrs. and SS energy: 4.797 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -1976.507139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.507139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.524699 (E_RNA)
where:
Base-Base interactions energy: -1351.004
where: short stacking energy: -565.968
Base-Backbone interact. energy: 5.017
local terms energy: -632.537607
where:
bonds (distance) C4'-P energy: -129.886
bonds (distance) P-C4' energy: -134.964
flat angles C4'-P-C4' energy: -144.632
flat angles P-C4'-P energy: -84.169
tors. eta vs tors. theta energy: -138.887
Dist. restrs. and SS energy: 2.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -1844.233233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.233233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.008690 (E_RNA)
where:
Base-Base interactions energy: -1260.321
where: short stacking energy: -528.293
Base-Backbone interact. energy: -3.114
local terms energy: -588.572905
where:
bonds (distance) C4'-P energy: -115.282
bonds (distance) P-C4' energy: -99.599
flat angles C4'-P-C4' energy: -140.491
flat angles P-C4'-P energy: -89.206
tors. eta vs tors. theta energy: -143.996
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: 1, replica: 9
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -2938.415065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2938.415065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2941.322737 (E_RNA)
where:
Base-Base interactions energy: -2049.966
where: short stacking energy: -858.693
Base-Backbone interact. energy: -1.858
local terms energy: -889.498851
where:
bonds (distance) C4'-P energy: -162.477
bonds (distance) P-C4' energy: -165.106
flat angles C4'-P-C4' energy: -190.745
flat angles P-C4'-P energy: -120.929
tors. eta vs tors. theta energy: -250.242
Dist. restrs. and SS energy: 2.908 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -2793.805445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.805445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.747589 (E_RNA)
where:
Base-Base interactions energy: -1944.874
where: short stacking energy: -794.866
Base-Backbone interact. energy: 4.069
local terms energy: -853.942554
where:
bonds (distance) C4'-P energy: -144.652
bonds (distance) P-C4' energy: -171.168
flat angles C4'-P-C4' energy: -177.031
flat angles P-C4'-P energy: -126.645
tors. eta vs tors. theta energy: -234.446
Dist. restrs. and SS energy: 0.942 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -2672.353747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.353747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.094122 (E_RNA)
where:
Base-Base interactions energy: -1848.808
where: short stacking energy: -789.209
Base-Backbone interact. energy: 0.393
local terms energy: -826.678864
where:
bonds (distance) C4'-P energy: -156.017
bonds (distance) P-C4' energy: -143.675
flat angles C4'-P-C4' energy: -177.406
flat angles P-C4'-P energy: -115.276
tors. eta vs tors. theta energy: -234.304
Dist. restrs. and SS energy: 2.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -2501.751118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.751118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.118098 (E_RNA)
where:
Base-Base interactions energy: -1720.021
where: short stacking energy: -691.227
Base-Backbone interact. energy: 0.402
local terms energy: -784.498167
where:
bonds (distance) C4'-P energy: -156.788
bonds (distance) P-C4' energy: -152.563
flat angles C4'-P-C4' energy: -161.414
flat angles P-C4'-P energy: -107.993
tors. eta vs tors. theta energy: -205.740
Dist. restrs. and SS energy: 2.367 (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: 6
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -2414.320194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.320194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.959651 (E_RNA)
where:
Base-Base interactions energy: -1686.026
where: short stacking energy: -718.185
Base-Backbone interact. energy: -3.025
local terms energy: -726.908290
where:
bonds (distance) C4'-P energy: -144.872
bonds (distance) P-C4' energy: -145.735
flat angles C4'-P-C4' energy: -144.709
flat angles P-C4'-P energy: -100.322
tors. eta vs tors. theta energy: -191.269
Dist. restrs. and SS energy: 1.639 (S_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: 308
Temperature: 1.150000
Total energy: -2288.721977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.721977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.376066 (E_RNA)
where:
Base-Base interactions energy: -1575.763
where: short stacking energy: -646.129
Base-Backbone interact. energy: -3.269
local terms energy: -712.345025
where:
bonds (distance) C4'-P energy: -139.227
bonds (distance) P-C4' energy: -133.674
flat angles C4'-P-C4' energy: -159.011
flat angles P-C4'-P energy: -105.246
tors. eta vs tors. theta energy: -175.187
Dist. restrs. and SS energy: 2.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -2144.310772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.310772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.254363 (E_RNA)
where:
Base-Base interactions energy: -1405.518
where: short stacking energy: -604.381
Base-Backbone interact. energy: -0.116
local terms energy: -741.620939
where:
bonds (distance) C4'-P energy: -139.832
bonds (distance) P-C4' energy: -158.438
flat angles C4'-P-C4' energy: -155.338
flat angles P-C4'-P energy: -118.706
tors. eta vs tors. theta energy: -169.307
Dist. restrs. and SS energy: 2.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -2001.022443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.022443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.000899 (E_RNA)
where:
Base-Base interactions energy: -1375.627
where: short stacking energy: -574.283
Base-Backbone interact. energy: -1.537
local terms energy: -626.836635
where:
bonds (distance) C4'-P energy: -129.936
bonds (distance) P-C4' energy: -130.968
flat angles C4'-P-C4' energy: -141.317
flat angles P-C4'-P energy: -79.139
tors. eta vs tors. theta energy: -145.476
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: 9, replica: 2
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -1946.522505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.522505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.751146 (E_RNA)
where:
Base-Base interactions energy: -1305.069
where: short stacking energy: -564.085
Base-Backbone interact. energy: -1.073
local terms energy: -643.609264
where:
bonds (distance) C4'-P energy: -134.788
bonds (distance) P-C4' energy: -118.363
flat angles C4'-P-C4' energy: -153.618
flat angles P-C4'-P energy: -80.763
tors. eta vs tors. theta energy: -156.076
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: 10, replica: 3
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -1901.775297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.775297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.304161 (E_RNA)
where:
Base-Base interactions energy: -1329.883
where: short stacking energy: -554.773
Base-Backbone interact. energy: 1.349
local terms energy: -574.770122
where:
bonds (distance) C4'-P energy: -128.737
bonds (distance) P-C4' energy: -111.967
flat angles C4'-P-C4' energy: -112.155
flat angles P-C4'-P energy: -87.420
tors. eta vs tors. theta energy: -134.491
Dist. restrs. and SS energy: 1.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -2931.198302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2931.198302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2935.142052 (E_RNA)
where:
Base-Base interactions energy: -2046.079
where: short stacking energy: -844.914
Base-Backbone interact. energy: -0.599
local terms energy: -888.464082
where:
bonds (distance) C4'-P energy: -156.596
bonds (distance) P-C4' energy: -168.836
flat angles C4'-P-C4' energy: -187.897
flat angles P-C4'-P energy: -119.886
tors. eta vs tors. theta energy: -255.249
Dist. restrs. and SS energy: 3.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -2748.586209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2748.586209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.166288 (E_RNA)
where:
Base-Base interactions energy: -1918.689
where: short stacking energy: -789.628
Base-Backbone interact. energy: -2.031
local terms energy: -829.446240
where:
bonds (distance) C4'-P energy: -163.624
bonds (distance) P-C4' energy: -153.799
flat angles C4'-P-C4' energy: -171.047
flat angles P-C4'-P energy: -124.950
tors. eta vs tors. theta energy: -216.026
Dist. restrs. and SS energy: 1.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -2670.502354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.502354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.715128 (E_RNA)
where:
Base-Base interactions energy: -1846.654
where: short stacking energy: -783.736
Base-Backbone interact. energy: 1.801
local terms energy: -826.861289
where:
bonds (distance) C4'-P energy: -151.808
bonds (distance) P-C4' energy: -169.041
flat angles C4'-P-C4' energy: -163.048
flat angles P-C4'-P energy: -116.149
tors. eta vs tors. theta energy: -226.816
Dist. restrs. and SS energy: 1.213 (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: 6
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -2468.722574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.722574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.277582 (E_RNA)
where:
Base-Base interactions energy: -1684.761
where: short stacking energy: -723.965
Base-Backbone interact. energy: -4.262
local terms energy: -781.253931
where:
bonds (distance) C4'-P energy: -120.863
bonds (distance) P-C4' energy: -164.677
flat angles C4'-P-C4' energy: -178.574
flat angles P-C4'-P energy: -119.248
tors. eta vs tors. theta energy: -197.892
Dist. restrs. and SS energy: 1.555 (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: 309
Temperature: 1.100000
Total energy: -2423.529966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.529966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.506137 (E_RNA)
where:
Base-Base interactions energy: -1696.960
where: short stacking energy: -736.931
Base-Backbone interact. energy: 7.441
local terms energy: -736.987558
where:
bonds (distance) C4'-P energy: -146.960
bonds (distance) P-C4' energy: -147.799
flat angles C4'-P-C4' energy: -156.631
flat angles P-C4'-P energy: -96.480
tors. eta vs tors. theta energy: -189.118
Dist. restrs. and SS energy: 2.976 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -2262.588467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.588467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.483220 (E_RNA)
where:
Base-Base interactions energy: -1516.319
where: short stacking energy: -652.610
Base-Backbone interact. energy: 0.660
local terms energy: -748.825088
where:
bonds (distance) C4'-P energy: -139.950
bonds (distance) P-C4' energy: -135.023
flat angles C4'-P-C4' energy: -171.705
flat angles P-C4'-P energy: -120.877
tors. eta vs tors. theta energy: -181.270
Dist. restrs. and SS energy: 1.895 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -2127.582354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.582354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.782798 (E_RNA)
where:
Base-Base interactions energy: -1425.330
where: short stacking energy: -618.349
Base-Backbone interact. energy: -0.169
local terms energy: -705.283789
where:
bonds (distance) C4'-P energy: -141.620
bonds (distance) P-C4' energy: -158.934
flat angles C4'-P-C4' energy: -155.857
flat angles P-C4'-P energy: -90.645
tors. eta vs tors. theta energy: -158.229
Dist. restrs. and SS energy: 3.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -2056.812599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.812599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.270787 (E_RNA)
where:
Base-Base interactions energy: -1368.743
where: short stacking energy: -602.291
Base-Backbone interact. energy: 7.573
local terms energy: -697.101226
where:
bonds (distance) C4'-P energy: -148.979
bonds (distance) P-C4' energy: -120.433
flat angles C4'-P-C4' energy: -164.095
flat angles P-C4'-P energy: -94.926
tors. eta vs tors. theta energy: -168.669
Dist. restrs. and SS energy: 1.458 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -1924.581677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.581677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.529055 (E_RNA)
where:
Base-Base interactions energy: -1305.625
where: short stacking energy: -552.670
Base-Backbone interact. energy: -0.931
local terms energy: -620.972833
where:
bonds (distance) C4'-P energy: -121.277
bonds (distance) P-C4' energy: -111.351
flat angles C4'-P-C4' energy: -145.343
flat angles P-C4'-P energy: -88.873
tors. eta vs tors. theta energy: -154.129
Dist. restrs. and SS energy: 2.947 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -1856.410877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.410877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.986620 (E_RNA)
where:
Base-Base interactions energy: -1246.527
where: short stacking energy: -550.186
Base-Backbone interact. energy: 2.992
local terms energy: -615.451378
where:
bonds (distance) C4'-P energy: -121.400
bonds (distance) P-C4' energy: -141.575
flat angles C4'-P-C4' energy: -133.323
flat angles P-C4'-P energy: -81.258
tors. eta vs tors. theta energy: -137.895
Dist. restrs. and SS energy: 2.576 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -2921.953752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2921.953752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2924.256513 (E_RNA)
where:
Base-Base interactions energy: -2025.032
where: short stacking energy: -834.666
Base-Backbone interact. energy: 0.663
local terms energy: -899.888274
where:
bonds (distance) C4'-P energy: -174.493
bonds (distance) P-C4' energy: -167.325
flat angles C4'-P-C4' energy: -181.932
flat angles P-C4'-P energy: -114.107
tors. eta vs tors. theta energy: -262.031
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: 2, replica: 4
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -2762.813285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.813285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2764.212736 (E_RNA)
where:
Base-Base interactions energy: -1911.135
where: short stacking energy: -781.432
Base-Backbone interact. energy: -3.100
local terms energy: -849.977649
where:
bonds (distance) C4'-P energy: -147.980
bonds (distance) P-C4' energy: -163.765
flat angles C4'-P-C4' energy: -178.555
flat angles P-C4'-P energy: -131.279
tors. eta vs tors. theta energy: -228.397
Dist. restrs. and SS energy: 1.399 (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: 7
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -2648.731652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.731652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.095699 (E_RNA)
where:
Base-Base interactions energy: -1849.417
where: short stacking energy: -758.689
Base-Backbone interact. energy: -0.360
local terms energy: -801.318008
where:
bonds (distance) C4'-P energy: -139.609
bonds (distance) P-C4' energy: -165.483
flat angles C4'-P-C4' energy: -164.971
flat angles P-C4'-P energy: -109.663
tors. eta vs tors. theta energy: -221.593
Dist. restrs. and SS energy: 2.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -2510.657831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.657831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.086749 (E_RNA)
where:
Base-Base interactions energy: -1696.587
where: short stacking energy: -735.209
Base-Backbone interact. energy: -5.389
local terms energy: -810.110457
where:
bonds (distance) C4'-P energy: -153.483
bonds (distance) P-C4' energy: -139.685
flat angles C4'-P-C4' energy: -168.907
flat angles P-C4'-P energy: -121.418
tors. eta vs tors. theta energy: -226.616
Dist. restrs. and SS energy: 1.429 (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: 5
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -2419.117092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.117092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.118837 (E_RNA)
where:
Base-Base interactions energy: -1665.809
where: short stacking energy: -712.023
Base-Backbone interact. energy: 0.710
local terms energy: -758.019933
where:
bonds (distance) C4'-P energy: -163.943
bonds (distance) P-C4' energy: -141.056
flat angles C4'-P-C4' energy: -152.397
flat angles P-C4'-P energy: -100.408
tors. eta vs tors. theta energy: -200.215
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: 6, replica: 8
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -2285.287957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.287957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.926747 (E_RNA)
where:
Base-Base interactions energy: -1539.736
where: short stacking energy: -651.118
Base-Backbone interact. energy: -3.066
local terms energy: -744.124492
where:
bonds (distance) C4'-P energy: -139.482
bonds (distance) P-C4' energy: -146.720
flat angles C4'-P-C4' energy: -164.076
flat angles P-C4'-P energy: -111.767
tors. eta vs tors. theta energy: -182.080
Dist. restrs. and SS energy: 1.639 (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: 10
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -2105.093104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.093104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.788825 (E_RNA)
where:
Base-Base interactions energy: -1409.452
where: short stacking energy: -612.117
Base-Backbone interact. energy: 3.718
local terms energy: -702.054331
where:
bonds (distance) C4'-P energy: -148.901
bonds (distance) P-C4' energy: -144.270
flat angles C4'-P-C4' energy: -155.983
flat angles P-C4'-P energy: -87.540
tors. eta vs tors. theta energy: -165.359
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: 8, replica: 1
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -2025.595031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.595031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.669591 (E_RNA)
where:
Base-Base interactions energy: -1346.812
where: short stacking energy: -574.967
Base-Backbone interact. energy: -1.493
local terms energy: -680.364484
where:
bonds (distance) C4'-P energy: -119.580
bonds (distance) P-C4' energy: -153.269
flat angles C4'-P-C4' energy: -147.293
flat angles P-C4'-P energy: -107.814
tors. eta vs tors. theta energy: -152.409
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: 9, replica: 2
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -1925.986916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.986916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.481639 (E_RNA)
where:
Base-Base interactions energy: -1295.946
where: short stacking energy: -550.747
Base-Backbone interact. energy: -4.162
local terms energy: -629.373862
where:
bonds (distance) C4'-P energy: -126.020
bonds (distance) P-C4' energy: -122.737
flat angles C4'-P-C4' energy: -154.893
flat angles P-C4'-P energy: -84.654
tors. eta vs tors. theta energy: -141.071
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: 10, replica: 3
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -1781.479732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.479732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.993973 (E_RNA)
where:
Base-Base interactions energy: -1227.139
where: short stacking energy: -501.123
Base-Backbone interact. energy: 2.733
local terms energy: -564.587653
where:
bonds (distance) C4'-P energy: -111.571
bonds (distance) P-C4' energy: -129.437
flat angles C4'-P-C4' energy: -114.824
flat angles P-C4'-P energy: -87.688
tors. eta vs tors. theta energy: -121.068
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: 1, replica: 9
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -2916.102378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2916.102378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2917.150208 (E_RNA)
where:
Base-Base interactions energy: -2029.367
where: short stacking energy: -835.350
Base-Backbone interact. energy: -2.099
local terms energy: -885.683903
where:
bonds (distance) C4'-P energy: -140.980
bonds (distance) P-C4' energy: -168.696
flat angles C4'-P-C4' energy: -196.210
flat angles P-C4'-P energy: -129.130
tors. eta vs tors. theta energy: -250.668
Dist. restrs. and SS energy: 1.048 (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: 4
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -2775.385241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.385241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.760859 (E_RNA)
where:
Base-Base interactions energy: -1915.777
where: short stacking energy: -803.134
Base-Backbone interact. energy: -2.167
local terms energy: -858.816589
where:
bonds (distance) C4'-P energy: -171.624
bonds (distance) P-C4' energy: -165.785
flat angles C4'-P-C4' energy: -173.415
flat angles P-C4'-P energy: -124.645
tors. eta vs tors. theta energy: -223.347
Dist. restrs. and SS energy: 1.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -2679.858135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.858135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.192371 (E_RNA)
where:
Base-Base interactions energy: -1842.401
where: short stacking energy: -794.822
Base-Backbone interact. energy: 1.857
local terms energy: -840.648173
where:
bonds (distance) C4'-P energy: -154.290
bonds (distance) P-C4' energy: -157.954
flat angles C4'-P-C4' energy: -171.143
flat angles P-C4'-P energy: -123.724
tors. eta vs tors. theta energy: -233.537
Dist. restrs. and SS energy: 1.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -2491.226929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.226929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.576370 (E_RNA)
where:
Base-Base interactions energy: -1681.998
where: short stacking energy: -700.427
Base-Backbone interact. energy: -4.806
local terms energy: -806.772426
where:
bonds (distance) C4'-P energy: -145.253
bonds (distance) P-C4' energy: -162.089
flat angles C4'-P-C4' energy: -163.397
flat angles P-C4'-P energy: -118.464
tors. eta vs tors. theta energy: -217.570
Dist. restrs. and SS energy: 2.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -2431.395647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.395647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.305540 (E_RNA)
where:
Base-Base interactions energy: -1629.900
where: short stacking energy: -702.787
Base-Backbone interact. energy: -1.217
local terms energy: -803.189008
where:
bonds (distance) C4'-P energy: -131.043
bonds (distance) P-C4' energy: -156.526
flat angles C4'-P-C4' energy: -177.341
flat angles P-C4'-P energy: -124.136
tors. eta vs tors. theta energy: -214.142
Dist. restrs. and SS energy: 2.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -2290.495548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.495548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.583240 (E_RNA)
where:
Base-Base interactions energy: -1568.992
where: short stacking energy: -652.739
Base-Backbone interact. energy: -3.273
local terms energy: -720.318219
where:
bonds (distance) C4'-P energy: -142.943
bonds (distance) P-C4' energy: -147.905
flat angles C4'-P-C4' energy: -151.881
flat angles P-C4'-P energy: -99.498
tors. eta vs tors. theta energy: -178.091
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: 7, replica: 10
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -2078.441596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.441596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.090780 (E_RNA)
where:
Base-Base interactions energy: -1404.667
where: short stacking energy: -622.596
Base-Backbone interact. energy: 0.433
local terms energy: -677.856901
where:
bonds (distance) C4'-P energy: -139.042
bonds (distance) P-C4' energy: -138.086
flat angles C4'-P-C4' energy: -146.513
flat angles P-C4'-P energy: -88.625
tors. eta vs tors. theta energy: -165.591
Dist. restrs. and SS energy: 3.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -2034.753085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.753085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.611860 (E_RNA)
where:
Base-Base interactions energy: -1392.430
where: short stacking energy: -596.322
Base-Backbone interact. energy: 3.471
local terms energy: -647.652537
where:
bonds (distance) C4'-P energy: -118.695
bonds (distance) P-C4' energy: -116.047
flat angles C4'-P-C4' energy: -146.713
flat angles P-C4'-P energy: -96.699
tors. eta vs tors. theta energy: -169.499
Dist. restrs. and SS energy: 1.859 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -1941.024099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.024099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.140096 (E_RNA)
where:
Base-Base interactions energy: -1326.506
where: short stacking energy: -559.929
Base-Backbone interact. energy: 2.829
local terms energy: -621.463077
where:
bonds (distance) C4'-P energy: -115.563
bonds (distance) P-C4' energy: -133.021
flat angles C4'-P-C4' energy: -153.042
flat angles P-C4'-P energy: -83.777
tors. eta vs tors. theta energy: -136.060
Dist. restrs. and SS energy: 4.116 (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: 3
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -1839.468195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.468195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.649500 (E_RNA)
where:
Base-Base interactions energy: -1259.997
where: short stacking energy: -513.866
Base-Backbone interact. energy: -2.149
local terms energy: -581.503145
where:
bonds (distance) C4'-P energy: -90.858
bonds (distance) P-C4' energy: -141.292
flat angles C4'-P-C4' energy: -133.782
flat angles P-C4'-P energy: -83.989
tors. eta vs tors. theta energy: -131.582
Dist. restrs. and SS energy: 4.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -2933.240619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2933.240619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2934.154450 (E_RNA)
where:
Base-Base interactions energy: -2031.195
where: short stacking energy: -835.794
Base-Backbone interact. energy: 1.589
local terms energy: -904.548522
where:
bonds (distance) C4'-P energy: -164.077
bonds (distance) P-C4' energy: -168.289
flat angles C4'-P-C4' energy: -182.049
flat angles P-C4'-P energy: -130.504
tors. eta vs tors. theta energy: -259.630
Dist. restrs. and SS energy: 0.914 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -2758.086217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.086217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2759.578489 (E_RNA)
where:
Base-Base interactions energy: -1888.491
where: short stacking energy: -802.152
Base-Backbone interact. energy: -1.433
local terms energy: -869.654646
where:
bonds (distance) C4'-P energy: -169.184
bonds (distance) P-C4' energy: -154.119
flat angles C4'-P-C4' energy: -188.855
flat angles P-C4'-P energy: -131.087
tors. eta vs tors. theta energy: -226.410
Dist. restrs. and SS energy: 1.492 (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: 312
Temperature: 1.000000
Total energy: -2659.509943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.509943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.772309 (E_RNA)
where:
Base-Base interactions energy: -1823.160
where: short stacking energy: -775.908
Base-Backbone interact. energy: -1.390
local terms energy: -838.222584
where:
bonds (distance) C4'-P energy: -141.182
bonds (distance) P-C4' energy: -170.284
flat angles C4'-P-C4' energy: -178.555
flat angles P-C4'-P energy: -120.174
tors. eta vs tors. theta energy: -228.027
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: 4, replica: 6
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -2480.683491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.683491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.463651 (E_RNA)
where:
Base-Base interactions energy: -1661.332
where: short stacking energy: -694.278
Base-Backbone interact. energy: -0.928
local terms energy: -820.203716
where:
bonds (distance) C4'-P energy: -153.899
bonds (distance) P-C4' energy: -155.725
flat angles C4'-P-C4' energy: -177.826
flat angles P-C4'-P energy: -105.395
tors. eta vs tors. theta energy: -227.358
Dist. restrs. and SS energy: 1.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -2420.365722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.365722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.052499 (E_RNA)
where:
Base-Base interactions energy: -1658.671
where: short stacking energy: -694.271
Base-Backbone interact. energy: -0.243
local terms energy: -763.139024
where:
bonds (distance) C4'-P energy: -153.829
bonds (distance) P-C4' energy: -131.744
flat angles C4'-P-C4' energy: -177.613
flat angles P-C4'-P energy: -112.633
tors. eta vs tors. theta energy: -187.319
Dist. restrs. and SS energy: 1.687 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -2261.354266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.354266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.440721 (E_RNA)
where:
Base-Base interactions energy: -1542.875
where: short stacking energy: -663.948
Base-Backbone interact. energy: -0.614
local terms energy: -720.951716
where:
bonds (distance) C4'-P energy: -126.435
bonds (distance) P-C4' energy: -157.113
flat angles C4'-P-C4' energy: -151.958
flat angles P-C4'-P energy: -103.667
tors. eta vs tors. theta energy: -181.779
Dist. restrs. and SS energy: 3.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -2036.993669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.993669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.578315 (E_RNA)
where:
Base-Base interactions energy: -1346.946
where: short stacking energy: -580.510
Base-Backbone interact. energy: -1.862
local terms energy: -690.769442
where:
bonds (distance) C4'-P energy: -143.783
bonds (distance) P-C4' energy: -145.556
flat angles C4'-P-C4' energy: -158.963
flat angles P-C4'-P energy: -95.860
tors. eta vs tors. theta energy: -146.608
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: 8, replica: 10
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -2012.907834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.907834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.515419 (E_RNA)
where:
Base-Base interactions energy: -1358.832
where: short stacking energy: -593.694
Base-Backbone interact. energy: -4.541
local terms energy: -652.142580
where:
bonds (distance) C4'-P energy: -124.609
bonds (distance) P-C4' energy: -122.166
flat angles C4'-P-C4' energy: -151.351
flat angles P-C4'-P energy: -92.089
tors. eta vs tors. theta energy: -161.929
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: 9, replica: 2
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -1972.533999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.533999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.286363 (E_RNA)
where:
Base-Base interactions energy: -1346.010
where: short stacking energy: -560.990
Base-Backbone interact. energy: 1.080
local terms energy: -631.356331
where:
bonds (distance) C4'-P energy: -122.767
bonds (distance) P-C4' energy: -119.193
flat angles C4'-P-C4' energy: -148.580
flat angles P-C4'-P energy: -97.057
tors. eta vs tors. theta energy: -143.758
Dist. restrs. and SS energy: 3.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -1848.831619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.831619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.727973 (E_RNA)
where:
Base-Base interactions energy: -1268.345
where: short stacking energy: -522.464
Base-Backbone interact. energy: -0.099
local terms energy: -583.283998
where:
bonds (distance) C4'-P energy: -121.275
bonds (distance) P-C4' energy: -133.778
flat angles C4'-P-C4' energy: -129.779
flat angles P-C4'-P energy: -93.288
tors. eta vs tors. theta energy: -105.164
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: 1, replica: 9
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -2956.356186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2956.356186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2957.319950 (E_RNA)
where:
Base-Base interactions energy: -2023.651
where: short stacking energy: -852.261
Base-Backbone interact. energy: -4.055
local terms energy: -929.613543
where:
bonds (distance) C4'-P energy: -162.643
bonds (distance) P-C4' energy: -182.296
flat angles C4'-P-C4' energy: -195.990
flat angles P-C4'-P energy: -129.549
tors. eta vs tors. theta energy: -259.135
Dist. restrs. and SS energy: 0.964 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -2789.011663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2789.011663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.033167 (E_RNA)
where:
Base-Base interactions energy: -1940.423
where: short stacking energy: -816.560
Base-Backbone interact. energy: -2.453
local terms energy: -847.157112
where:
bonds (distance) C4'-P energy: -151.871
bonds (distance) P-C4' energy: -174.753
flat angles C4'-P-C4' energy: -172.049
flat angles P-C4'-P energy: -127.249
tors. eta vs tors. theta energy: -221.236
Dist. restrs. and SS energy: 1.022 (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: 7
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -2676.340319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.340319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.089696 (E_RNA)
where:
Base-Base interactions energy: -1847.910
where: short stacking energy: -780.516
Base-Backbone interact. energy: 12.222
local terms energy: -843.402116
where:
bonds (distance) C4'-P energy: -140.287
bonds (distance) P-C4' energy: -168.251
flat angles C4'-P-C4' energy: -181.635
flat angles P-C4'-P energy: -121.511
tors. eta vs tors. theta energy: -231.718
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: 4, replica: 5
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -2494.357086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.357086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.277759 (E_RNA)
where:
Base-Base interactions energy: -1715.461
where: short stacking energy: -741.552
Base-Backbone interact. energy: 3.228
local terms energy: -784.044452
where:
bonds (distance) C4'-P energy: -145.705
bonds (distance) P-C4' energy: -151.390
flat angles C4'-P-C4' energy: -170.794
flat angles P-C4'-P energy: -106.225
tors. eta vs tors. theta energy: -209.931
Dist. restrs. and SS energy: 1.921 (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: 6
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -2398.803974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.803974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.904155 (E_RNA)
where:
Base-Base interactions energy: -1676.416
where: short stacking energy: -704.649
Base-Backbone interact. energy: 0.136
local terms energy: -724.623981
where:
bonds (distance) C4'-P energy: -142.183
bonds (distance) P-C4' energy: -142.825
flat angles C4'-P-C4' energy: -153.000
flat angles P-C4'-P energy: -101.129
tors. eta vs tors. theta energy: -185.488
Dist. restrs. and SS energy: 2.100 (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: 8
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -2268.529171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.529171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.003855 (E_RNA)
where:
Base-Base interactions energy: -1554.782
where: short stacking energy: -664.763
Base-Backbone interact. energy: -4.407
local terms energy: -710.814843
where:
bonds (distance) C4'-P energy: -121.566
bonds (distance) P-C4' energy: -140.095
flat angles C4'-P-C4' energy: -153.505
flat angles P-C4'-P energy: -95.370
tors. eta vs tors. theta energy: -200.279
Dist. restrs. and SS energy: 1.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -2087.528862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.528862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.623951 (E_RNA)
where:
Base-Base interactions energy: -1413.697
where: short stacking energy: -602.526
Base-Backbone interact. energy: 0.356
local terms energy: -675.282820
where:
bonds (distance) C4'-P energy: -142.053
bonds (distance) P-C4' energy: -139.271
flat angles C4'-P-C4' energy: -140.734
flat angles P-C4'-P energy: -94.419
tors. eta vs tors. theta energy: -158.806
Dist. restrs. and SS energy: 1.095 (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: 2
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -1998.466858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.466858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.560306 (E_RNA)
where:
Base-Base interactions energy: -1339.370
where: short stacking energy: -581.780
Base-Backbone interact. energy: -3.039
local terms energy: -659.151098
where:
bonds (distance) C4'-P energy: -135.287
bonds (distance) P-C4' energy: -142.453
flat angles C4'-P-C4' energy: -136.658
flat angles P-C4'-P energy: -96.183
tors. eta vs tors. theta energy: -148.571
Dist. restrs. and SS energy: 3.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -1937.327574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.327574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.119710 (E_RNA)
where:
Base-Base interactions energy: -1317.342
where: short stacking energy: -536.375
Base-Backbone interact. energy: -1.801
local terms energy: -619.976705
where:
bonds (distance) C4'-P energy: -131.772
bonds (distance) P-C4' energy: -134.917
flat angles C4'-P-C4' energy: -146.236
flat angles P-C4'-P energy: -74.256
tors. eta vs tors. theta energy: -132.796
Dist. restrs. and SS energy: 1.792 (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: 3
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -1894.705780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.705780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.046035 (E_RNA)
where:
Base-Base interactions energy: -1273.157
where: short stacking energy: -521.528
Base-Backbone interact. energy: 0.899
local terms energy: -626.788198
where:
bonds (distance) C4'-P energy: -117.189
bonds (distance) P-C4' energy: -133.414
flat angles C4'-P-C4' energy: -152.322
flat angles P-C4'-P energy: -91.176
tors. eta vs tors. theta energy: -132.688
Dist. restrs. and SS energy: 4.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -2933.992174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2933.992174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2935.740645 (E_RNA)
where:
Base-Base interactions energy: -2022.402
where: short stacking energy: -844.580
Base-Backbone interact. energy: -4.841
local terms energy: -908.497324
where:
bonds (distance) C4'-P energy: -170.565
bonds (distance) P-C4' energy: -158.883
flat angles C4'-P-C4' energy: -185.015
flat angles P-C4'-P energy: -134.108
tors. eta vs tors. theta energy: -259.927
Dist. restrs. and SS energy: 1.748 (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: 4
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -2810.616190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.616190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.512046 (E_RNA)
where:
Base-Base interactions energy: -1976.371
where: short stacking energy: -816.856
Base-Backbone interact. energy: -1.991
local terms energy: -834.150303
where:
bonds (distance) C4'-P energy: -160.163
bonds (distance) P-C4' energy: -141.956
flat angles C4'-P-C4' energy: -169.211
flat angles P-C4'-P energy: -122.509
tors. eta vs tors. theta energy: -240.312
Dist. restrs. and SS energy: 1.896 (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: 7
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -2669.712153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.712153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.250289 (E_RNA)
where:
Base-Base interactions energy: -1844.127
where: short stacking energy: -776.082
Base-Backbone interact. energy: -3.790
local terms energy: -823.333140
where:
bonds (distance) C4'-P energy: -147.126
bonds (distance) P-C4' energy: -151.638
flat angles C4'-P-C4' energy: -172.497
flat angles P-C4'-P energy: -110.938
tors. eta vs tors. theta energy: -241.135
Dist. restrs. and SS energy: 1.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -2524.832947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.832947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.124904 (E_RNA)
where:
Base-Base interactions energy: -1761.278
where: short stacking energy: -727.160
Base-Backbone interact. energy: -1.772
local terms energy: -763.074500
where:
bonds (distance) C4'-P energy: -123.556
bonds (distance) P-C4' energy: -138.070
flat angles C4'-P-C4' energy: -166.934
flat angles P-C4'-P energy: -116.816
tors. eta vs tors. theta energy: -217.698
Dist. restrs. and SS energy: 1.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -2353.202620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.202620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.424559 (E_RNA)
where:
Base-Base interactions energy: -1635.872
where: short stacking energy: -703.298
Base-Backbone interact. energy: -2.354
local terms energy: -717.197896
where:
bonds (distance) C4'-P energy: -118.775
bonds (distance) P-C4' energy: -142.526
flat angles C4'-P-C4' energy: -164.908
flat angles P-C4'-P energy: -98.075
tors. eta vs tors. theta energy: -192.913
Dist. restrs. and SS energy: 2.222 (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: 314
Temperature: 1.150000
Total energy: -2360.796009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.796009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.535911 (E_RNA)
where:
Base-Base interactions energy: -1631.102
where: short stacking energy: -687.605
Base-Backbone interact. energy: 2.951
local terms energy: -734.384851
where:
bonds (distance) C4'-P energy: -124.634
bonds (distance) P-C4' energy: -139.656
flat angles C4'-P-C4' energy: -156.294
flat angles P-C4'-P energy: -116.704
tors. eta vs tors. theta energy: -197.096
Dist. restrs. and SS energy: 1.740 (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: 2
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -2096.753276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.753276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.072626 (E_RNA)
where:
Base-Base interactions energy: -1409.459
where: short stacking energy: -589.358
Base-Backbone interact. energy: 4.056
local terms energy: -693.669950
where:
bonds (distance) C4'-P energy: -139.203
bonds (distance) P-C4' energy: -143.016
flat angles C4'-P-C4' energy: -144.918
flat angles P-C4'-P energy: -104.230
tors. eta vs tors. theta energy: -162.303
Dist. restrs. and SS energy: 2.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -1995.043883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.043883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.870461 (E_RNA)
where:
Base-Base interactions energy: -1345.066
where: short stacking energy: -575.521
Base-Backbone interact. energy: -0.117
local terms energy: -651.688046
where:
bonds (distance) C4'-P energy: -137.368
bonds (distance) P-C4' energy: -151.703
flat angles C4'-P-C4' energy: -133.584
flat angles P-C4'-P energy: -84.424
tors. eta vs tors. theta energy: -144.609
Dist. restrs. and SS energy: 1.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -1971.083341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.083341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.974724 (E_RNA)
where:
Base-Base interactions energy: -1320.877
where: short stacking energy: -548.417
Base-Backbone interact. energy: 1.575
local terms energy: -653.672748
where:
bonds (distance) C4'-P energy: -145.117
bonds (distance) P-C4' energy: -120.231
flat angles C4'-P-C4' energy: -159.589
flat angles P-C4'-P energy: -86.037
tors. eta vs tors. theta energy: -142.698
Dist. restrs. and SS energy: 1.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -1895.897085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.897085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.355617 (E_RNA)
where:
Base-Base interactions energy: -1286.207
where: short stacking energy: -536.674
Base-Backbone interact. energy: 5.865
local terms energy: -623.013440
where:
bonds (distance) C4'-P energy: -126.907
bonds (distance) P-C4' energy: -137.891
flat angles C4'-P-C4' energy: -145.447
flat angles P-C4'-P energy: -77.751
tors. eta vs tors. theta energy: -135.017
Dist. restrs. and SS energy: 7.459 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -2923.057415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2923.057415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2923.662382 (E_RNA)
where:
Base-Base interactions energy: -2034.545
where: short stacking energy: -858.360
Base-Backbone interact. energy: -1.142
local terms energy: -887.976081
where:
bonds (distance) C4'-P energy: -170.368
bonds (distance) P-C4' energy: -168.775
flat angles C4'-P-C4' energy: -183.340
flat angles P-C4'-P energy: -115.741
tors. eta vs tors. theta energy: -249.753
Dist. restrs. and SS energy: 0.605 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -2769.876610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.876610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2771.249055 (E_RNA)
where:
Base-Base interactions energy: -1899.460
where: short stacking energy: -790.145
Base-Backbone interact. energy: -2.304
local terms energy: -869.484641
where:
bonds (distance) C4'-P energy: -161.861
bonds (distance) P-C4' energy: -169.309
flat angles C4'-P-C4' energy: -180.454
flat angles P-C4'-P energy: -124.879
tors. eta vs tors. theta energy: -232.981
Dist. restrs. and SS energy: 1.372 (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: 7
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -2690.174875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.174875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.829545 (E_RNA)
where:
Base-Base interactions energy: -1872.960
where: short stacking energy: -791.040
Base-Backbone interact. energy: 3.914
local terms energy: -822.783354
where:
bonds (distance) C4'-P energy: -142.726
bonds (distance) P-C4' energy: -158.439
flat angles C4'-P-C4' energy: -177.154
flat angles P-C4'-P energy: -118.822
tors. eta vs tors. theta energy: -225.642
Dist. restrs. and SS energy: 1.655 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -2513.514312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.514312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.643538 (E_RNA)
where:
Base-Base interactions energy: -1754.178
where: short stacking energy: -756.155
Base-Backbone interact. energy: -0.339
local terms energy: -761.126678
where:
bonds (distance) C4'-P energy: -146.494
bonds (distance) P-C4' energy: -142.786
flat angles C4'-P-C4' energy: -160.634
flat angles P-C4'-P energy: -99.014
tors. eta vs tors. theta energy: -212.198
Dist. restrs. and SS energy: 2.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -2380.457219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.457219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.478658 (E_RNA)
where:
Base-Base interactions energy: -1595.102
where: short stacking energy: -696.258
Base-Backbone interact. energy: -1.299
local terms energy: -786.078303
where:
bonds (distance) C4'-P energy: -146.922
bonds (distance) P-C4' energy: -165.400
flat angles C4'-P-C4' energy: -165.775
flat angles P-C4'-P energy: -98.028
tors. eta vs tors. theta energy: -209.954
Dist. restrs. and SS energy: 2.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -2342.919722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.919722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.998689 (E_RNA)
where:
Base-Base interactions energy: -1598.434
where: short stacking energy: -679.983
Base-Backbone interact. energy: -1.997
local terms energy: -745.567224
where:
bonds (distance) C4'-P energy: -134.577
bonds (distance) P-C4' energy: -148.448
flat angles C4'-P-C4' energy: -155.046
flat angles P-C4'-P energy: -113.614
tors. eta vs tors. theta energy: -193.882
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: 7, replica: 2
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -2040.596270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.596270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.213580 (E_RNA)
where:
Base-Base interactions energy: -1396.577
where: short stacking energy: -594.537
Base-Backbone interact. energy: 0.747
local terms energy: -646.384187
where:
bonds (distance) C4'-P energy: -127.843
bonds (distance) P-C4' energy: -131.022
flat angles C4'-P-C4' energy: -142.641
flat angles P-C4'-P energy: -83.535
tors. eta vs tors. theta energy: -161.344
Dist. restrs. and SS energy: 1.617 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -2028.302132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.302132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.581216 (E_RNA)
where:
Base-Base interactions energy: -1387.665
where: short stacking energy: -590.278
Base-Backbone interact. energy: 1.234
local terms energy: -644.150936
where:
bonds (distance) C4'-P energy: -130.971
bonds (distance) P-C4' energy: -138.338
flat angles C4'-P-C4' energy: -143.401
flat angles P-C4'-P energy: -84.171
tors. eta vs tors. theta energy: -147.270
Dist. restrs. and SS energy: 2.279 (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: 1
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -1944.112960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.112960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.530745 (E_RNA)
where:
Base-Base interactions energy: -1331.035
where: short stacking energy: -574.796
Base-Backbone interact. energy: -1.805
local terms energy: -613.690190
where:
bonds (distance) C4'-P energy: -113.294
bonds (distance) P-C4' energy: -132.956
flat angles C4'-P-C4' energy: -143.809
flat angles P-C4'-P energy: -74.430
tors. eta vs tors. theta energy: -149.201
Dist. restrs. and SS energy: 2.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -1885.604917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.604917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.755036 (E_RNA)
where:
Base-Base interactions energy: -1326.230
where: short stacking energy: -585.662
Base-Backbone interact. energy: 4.684
local terms energy: -566.208887
where:
bonds (distance) C4'-P energy: -114.818
bonds (distance) P-C4' energy: -110.620
flat angles C4'-P-C4' energy: -133.911
flat angles P-C4'-P energy: -66.891
tors. eta vs tors. theta energy: -139.969
Dist. restrs. and SS energy: 2.150 (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: 9
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -2921.542393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2921.542393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2922.510614 (E_RNA)
where:
Base-Base interactions energy: -2030.364
where: short stacking energy: -858.474
Base-Backbone interact. energy: 2.176
local terms energy: -894.323312
where:
bonds (distance) C4'-P energy: -154.563
bonds (distance) P-C4' energy: -161.173
flat angles C4'-P-C4' energy: -195.287
flat angles P-C4'-P energy: -129.845
tors. eta vs tors. theta energy: -253.455
Dist. restrs. and SS energy: 0.968 (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: 4
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -2833.716849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2833.716849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2835.374252 (E_RNA)
where:
Base-Base interactions energy: -1991.939
where: short stacking energy: -813.196
Base-Backbone interact. energy: 3.017
local terms energy: -846.451705
where:
bonds (distance) C4'-P energy: -146.961
bonds (distance) P-C4' energy: -162.617
flat angles C4'-P-C4' energy: -180.400
flat angles P-C4'-P energy: -129.995
tors. eta vs tors. theta energy: -226.480
Dist. restrs. and SS energy: 1.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -2691.895674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.895674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.478428 (E_RNA)
where:
Base-Base interactions energy: -1869.482
where: short stacking energy: -772.722
Base-Backbone interact. energy: 1.032
local terms energy: -825.028134
where:
bonds (distance) C4'-P energy: -137.824
bonds (distance) P-C4' energy: -155.684
flat angles C4'-P-C4' energy: -179.074
flat angles P-C4'-P energy: -114.118
tors. eta vs tors. theta energy: -238.327
Dist. restrs. and SS energy: 1.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -2512.922087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.922087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.167749 (E_RNA)
where:
Base-Base interactions energy: -1737.287
where: short stacking energy: -730.121
Base-Backbone interact. energy: -1.127
local terms energy: -776.754256
where:
bonds (distance) C4'-P energy: -121.369
bonds (distance) P-C4' energy: -150.153
flat angles C4'-P-C4' energy: -181.391
flat angles P-C4'-P energy: -115.093
tors. eta vs tors. theta energy: -208.748
Dist. restrs. and SS energy: 2.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -2362.744115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.744115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.228191 (E_RNA)
where:
Base-Base interactions energy: -1617.812
where: short stacking energy: -707.209
Base-Backbone interact. energy: -3.699
local terms energy: -742.717362
where:
bonds (distance) C4'-P energy: -145.177
bonds (distance) P-C4' energy: -140.969
flat angles C4'-P-C4' energy: -161.087
flat angles P-C4'-P energy: -97.635
tors. eta vs tors. theta energy: -197.849
Dist. restrs. and SS energy: 1.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -2348.731181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.731181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.682060 (E_RNA)
where:
Base-Base interactions energy: -1584.538
where: short stacking energy: -672.364
Base-Backbone interact. energy: -1.281
local terms energy: -766.863122
where:
bonds (distance) C4'-P energy: -141.406
bonds (distance) P-C4' energy: -153.081
flat angles C4'-P-C4' energy: -154.942
flat angles P-C4'-P energy: -113.098
tors. eta vs tors. theta energy: -204.336
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: 7, replica: 2
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -2081.437405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.437405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.363936 (E_RNA)
where:
Base-Base interactions energy: -1394.470
where: short stacking energy: -595.363
Base-Backbone interact. energy: -4.079
local terms energy: -685.815100
where:
bonds (distance) C4'-P energy: -128.046
bonds (distance) P-C4' energy: -144.394
flat angles C4'-P-C4' energy: -142.887
flat angles P-C4'-P energy: -95.335
tors. eta vs tors. theta energy: -175.153
Dist. restrs. and SS energy: 2.927 (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: 3
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -2003.618299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.618299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.547829 (E_RNA)
where:
Base-Base interactions energy: -1361.173
where: short stacking energy: -544.302
Base-Backbone interact. energy: -1.069
local terms energy: -643.304930
where:
bonds (distance) C4'-P energy: -126.091
bonds (distance) P-C4' energy: -148.766
flat angles C4'-P-C4' energy: -137.288
flat angles P-C4'-P energy: -80.334
tors. eta vs tors. theta energy: -150.825
Dist. restrs. and SS energy: 1.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -1928.906324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.906324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.983804 (E_RNA)
where:
Base-Base interactions energy: -1342.417
where: short stacking energy: -554.995
Base-Backbone interact. energy: 0.387
local terms energy: -587.954135
where:
bonds (distance) C4'-P energy: -107.085
bonds (distance) P-C4' energy: -133.957
flat angles C4'-P-C4' energy: -136.903
flat angles P-C4'-P energy: -74.454
tors. eta vs tors. theta energy: -135.555
Dist. restrs. and SS energy: 1.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -1950.995717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.995717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.295067 (E_RNA)
where:
Base-Base interactions energy: -1324.834
where: short stacking energy: -560.702
Base-Backbone interact. energy: -1.025
local terms energy: -627.435895
where:
bonds (distance) C4'-P energy: -109.103
bonds (distance) P-C4' energy: -115.665
flat angles C4'-P-C4' energy: -170.043
flat angles P-C4'-P energy: -88.142
tors. eta vs tors. theta energy: -144.482
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: 1, replica: 9
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -2933.895076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2933.895076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2935.973432 (E_RNA)
where:
Base-Base interactions energy: -2039.805
where: short stacking energy: -831.969
Base-Backbone interact. energy: 1.582
local terms energy: -897.750186
where:
bonds (distance) C4'-P energy: -168.333
bonds (distance) P-C4' energy: -160.511
flat angles C4'-P-C4' energy: -195.121
flat angles P-C4'-P energy: -132.155
tors. eta vs tors. theta energy: -241.631
Dist. restrs. and SS energy: 2.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -2786.651513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.651513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.863957 (E_RNA)
where:
Base-Base interactions energy: -1954.203
where: short stacking energy: -799.502
Base-Backbone interact. energy: 3.674
local terms energy: -838.335367
where:
bonds (distance) C4'-P energy: -153.342
bonds (distance) P-C4' energy: -151.242
flat angles C4'-P-C4' energy: -180.039
flat angles P-C4'-P energy: -131.114
tors. eta vs tors. theta energy: -222.599
Dist. restrs. and SS energy: 2.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -2730.564195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.564195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.465897 (E_RNA)
where:
Base-Base interactions energy: -1882.951
where: short stacking energy: -805.292
Base-Backbone interact. energy: -0.320
local terms energy: -849.194933
where:
bonds (distance) C4'-P energy: -174.031
bonds (distance) P-C4' energy: -136.866
flat angles C4'-P-C4' energy: -180.114
flat angles P-C4'-P energy: -121.486
tors. eta vs tors. theta energy: -236.698
Dist. restrs. and SS energy: 1.902 (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: 5
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -2479.809462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.809462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.461193 (E_RNA)
where:
Base-Base interactions energy: -1692.197
where: short stacking energy: -711.892
Base-Backbone interact. energy: -1.092
local terms energy: -789.172817
where:
bonds (distance) C4'-P energy: -134.691
bonds (distance) P-C4' energy: -165.742
flat angles C4'-P-C4' energy: -173.531
flat angles P-C4'-P energy: -113.549
tors. eta vs tors. theta energy: -201.660
Dist. restrs. and SS energy: 2.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -2330.689624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.689624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.988727 (E_RNA)
where:
Base-Base interactions energy: -1595.493
where: short stacking energy: -680.883
Base-Backbone interact. energy: 8.985
local terms energy: -746.481360
where:
bonds (distance) C4'-P energy: -133.711
bonds (distance) P-C4' energy: -132.346
flat angles C4'-P-C4' energy: -165.267
flat angles P-C4'-P energy: -119.627
tors. eta vs tors. theta energy: -195.531
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: 6, replica: 6
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -2319.244548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.244548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.069048 (E_RNA)
where:
Base-Base interactions energy: -1587.868
where: short stacking energy: -673.382
Base-Backbone interact. energy: 0.863
local terms energy: -734.064555
where:
bonds (distance) C4'-P energy: -146.032
bonds (distance) P-C4' energy: -117.871
flat angles C4'-P-C4' energy: -157.286
flat angles P-C4'-P energy: -131.183
tors. eta vs tors. theta energy: -181.692
Dist. restrs. and SS energy: 1.824 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -2127.914930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.914930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.861866 (E_RNA)
where:
Base-Base interactions energy: -1454.113
where: short stacking energy: -610.075
Base-Backbone interact. energy: -2.559
local terms energy: -674.189845
where:
bonds (distance) C4'-P energy: -111.789
bonds (distance) P-C4' energy: -133.702
flat angles C4'-P-C4' energy: -154.449
flat angles P-C4'-P energy: -94.369
tors. eta vs tors. theta energy: -179.881
Dist. restrs. and SS energy: 2.947 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -2053.955323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.955323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.853758 (E_RNA)
where:
Base-Base interactions energy: -1397.235
where: short stacking energy: -590.377
Base-Backbone interact. energy: 3.389
local terms energy: -663.006875
where:
bonds (distance) C4'-P energy: -135.361
bonds (distance) P-C4' energy: -140.498
flat angles C4'-P-C4' energy: -140.852
flat angles P-C4'-P energy: -92.253
tors. eta vs tors. theta energy: -154.043
Dist. restrs. and SS energy: 2.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -1998.776340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.776340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.760170 (E_RNA)
where:
Base-Base interactions energy: -1354.698
where: short stacking energy: -590.721
Base-Backbone interact. energy: 3.642
local terms energy: -649.704512
where:
bonds (distance) C4'-P energy: -127.152
bonds (distance) P-C4' energy: -118.736
flat angles C4'-P-C4' energy: -151.938
flat angles P-C4'-P energy: -104.352
tors. eta vs tors. theta energy: -147.526
Dist. restrs. and SS energy: 1.984 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -1865.583855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.583855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.092269 (E_RNA)
where:
Base-Base interactions energy: -1262.109
where: short stacking energy: -536.185
Base-Backbone interact. energy: 0.380
local terms energy: -609.363362
where:
bonds (distance) C4'-P energy: -111.614
bonds (distance) P-C4' energy: -128.067
flat angles C4'-P-C4' energy: -147.825
flat angles P-C4'-P energy: -91.282
tors. eta vs tors. theta energy: -130.576
Dist. restrs. and SS energy: 5.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -2946.191115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2946.191115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2947.058418 (E_RNA)
where:
Base-Base interactions energy: -2057.995
where: short stacking energy: -854.647
Base-Backbone interact. energy: -2.421
local terms energy: -886.642014
where:
bonds (distance) C4'-P energy: -165.173
bonds (distance) P-C4' energy: -167.510
flat angles C4'-P-C4' energy: -186.114
flat angles P-C4'-P energy: -123.511
tors. eta vs tors. theta energy: -244.333
Dist. restrs. and SS energy: 0.867 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -2806.226580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.226580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.892389 (E_RNA)
where:
Base-Base interactions energy: -1956.391
where: short stacking energy: -826.870
Base-Backbone interact. energy: 4.635
local terms energy: -857.136957
where:
bonds (distance) C4'-P energy: -156.176
bonds (distance) P-C4' energy: -141.534
flat angles C4'-P-C4' energy: -198.055
flat angles P-C4'-P energy: -133.248
tors. eta vs tors. theta energy: -228.123
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: 3, replica: 7
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -2747.153320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2747.153320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.428727 (E_RNA)
where:
Base-Base interactions energy: -1909.860
where: short stacking energy: -786.208
Base-Backbone interact. energy: 0.363
local terms energy: -838.931474
where:
bonds (distance) C4'-P energy: -152.723
bonds (distance) P-C4' energy: -162.233
flat angles C4'-P-C4' energy: -181.334
flat angles P-C4'-P energy: -107.450
tors. eta vs tors. theta energy: -235.191
Dist. restrs. and SS energy: 1.275 (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: 5
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -2475.183665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.183665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.269169 (E_RNA)
where:
Base-Base interactions energy: -1695.610
where: short stacking energy: -738.483
Base-Backbone interact. energy: -0.534
local terms energy: -782.125149
where:
bonds (distance) C4'-P energy: -146.165
bonds (distance) P-C4' energy: -146.820
flat angles C4'-P-C4' energy: -179.509
flat angles P-C4'-P energy: -103.818
tors. eta vs tors. theta energy: -205.812
Dist. restrs. and SS energy: 3.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -2335.558687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.558687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.760290 (E_RNA)
where:
Base-Base interactions energy: -1616.807
where: short stacking energy: -706.579
Base-Backbone interact. energy: -2.209
local terms energy: -719.744224
where:
bonds (distance) C4'-P energy: -144.190
bonds (distance) P-C4' energy: -134.002
flat angles C4'-P-C4' energy: -150.037
flat angles P-C4'-P energy: -95.488
tors. eta vs tors. theta energy: -196.028
Dist. restrs. and SS energy: 3.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -2287.220397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.220397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.546466 (E_RNA)
where:
Base-Base interactions energy: -1585.151
where: short stacking energy: -651.595
Base-Backbone interact. energy: 6.446
local terms energy: -710.840889
where:
bonds (distance) C4'-P energy: -125.317
bonds (distance) P-C4' energy: -144.136
flat angles C4'-P-C4' energy: -160.908
flat angles P-C4'-P energy: -98.863
tors. eta vs tors. theta energy: -181.617
Dist. restrs. and SS energy: 2.326 (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: 2
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -2101.874589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.874589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.662034 (E_RNA)
where:
Base-Base interactions energy: -1433.682
where: short stacking energy: -615.232
Base-Backbone interact. energy: -3.668
local terms energy: -666.312759
where:
bonds (distance) C4'-P energy: -115.338
bonds (distance) P-C4' energy: -145.357
flat angles C4'-P-C4' energy: -150.995
flat angles P-C4'-P energy: -98.987
tors. eta vs tors. theta energy: -155.635
Dist. restrs. and SS energy: 1.787 (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: 3
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -2024.842762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.842762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.410702 (E_RNA)
where:
Base-Base interactions energy: -1413.377
where: short stacking energy: -609.541
Base-Backbone interact. energy: 2.062
local terms energy: -615.095552
where:
bonds (distance) C4'-P energy: -107.067
bonds (distance) P-C4' energy: -121.395
flat angles C4'-P-C4' energy: -135.163
flat angles P-C4'-P energy: -91.241
tors. eta vs tors. theta energy: -160.229
Dist. restrs. and SS energy: 1.568 (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: 10
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -1895.369502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.369502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.719126 (E_RNA)
where:
Base-Base interactions energy: -1299.250
where: short stacking energy: -558.173
Base-Backbone interact. energy: 2.788
local terms energy: -611.257069
where:
bonds (distance) C4'-P energy: -139.380
bonds (distance) P-C4' energy: -150.810
flat angles C4'-P-C4' energy: -115.017
flat angles P-C4'-P energy: -71.184
tors. eta vs tors. theta energy: -134.867
Dist. restrs. and SS energy: 12.350 (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: 1
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -1836.409570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.409570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.996225 (E_RNA)
where:
Base-Base interactions energy: -1242.793
where: short stacking energy: -533.010
Base-Backbone interact. energy: -3.479
local terms energy: -592.724482
where:
bonds (distance) C4'-P energy: -85.180
bonds (distance) P-C4' energy: -138.400
flat angles C4'-P-C4' energy: -121.858
flat angles P-C4'-P energy: -105.899
tors. eta vs tors. theta energy: -141.387
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: 1, replica: 9
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -2921.760263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2921.760263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2922.946124 (E_RNA)
where:
Base-Base interactions energy: -2029.223
where: short stacking energy: -857.942
Base-Backbone interact. energy: 0.162
local terms energy: -893.885261
where:
bonds (distance) C4'-P energy: -154.360
bonds (distance) P-C4' energy: -167.068
flat angles C4'-P-C4' energy: -190.890
flat angles P-C4'-P energy: -125.669
tors. eta vs tors. theta energy: -255.897
Dist. restrs. and SS energy: 1.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -2807.193655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.193655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.573013 (E_RNA)
where:
Base-Base interactions energy: -1944.531
where: short stacking energy: -817.660
Base-Backbone interact. energy: 2.421
local terms energy: -866.462708
where:
bonds (distance) C4'-P energy: -155.901
bonds (distance) P-C4' energy: -166.761
flat angles C4'-P-C4' energy: -178.618
flat angles P-C4'-P energy: -125.778
tors. eta vs tors. theta energy: -239.405
Dist. restrs. and SS energy: 1.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -2775.220203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.220203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.228915 (E_RNA)
where:
Base-Base interactions energy: -1932.816
where: short stacking energy: -801.460
Base-Backbone interact. energy: -5.249
local terms energy: -839.163678
where:
bonds (distance) C4'-P energy: -149.769
bonds (distance) P-C4' energy: -151.149
flat angles C4'-P-C4' energy: -182.874
flat angles P-C4'-P energy: -126.290
tors. eta vs tors. theta energy: -229.082
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: 4, replica: 5
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -2478.903311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.903311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.059137 (E_RNA)
where:
Base-Base interactions energy: -1693.703
where: short stacking energy: -715.428
Base-Backbone interact. energy: 0.920
local terms energy: -788.276089
where:
bonds (distance) C4'-P energy: -156.006
bonds (distance) P-C4' energy: -151.398
flat angles C4'-P-C4' energy: -172.319
flat angles P-C4'-P energy: -97.888
tors. eta vs tors. theta energy: -210.665
Dist. restrs. and SS energy: 2.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -2344.565480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.565480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.636419 (E_RNA)
where:
Base-Base interactions energy: -1581.243
where: short stacking energy: -690.742
Base-Backbone interact. energy: 2.442
local terms energy: -767.836037
where:
bonds (distance) C4'-P energy: -138.637
bonds (distance) P-C4' energy: -139.457
flat angles C4'-P-C4' energy: -173.571
flat angles P-C4'-P energy: -107.279
tors. eta vs tors. theta energy: -208.892
Dist. restrs. and SS energy: 2.071 (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: 6
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -2296.998226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.998226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.691711 (E_RNA)
where:
Base-Base interactions energy: -1583.880
where: short stacking energy: -670.602
Base-Backbone interact. energy: -0.156
local terms energy: -714.655690
where:
bonds (distance) C4'-P energy: -138.205
bonds (distance) P-C4' energy: -120.535
flat angles C4'-P-C4' energy: -157.486
flat angles P-C4'-P energy: -105.403
tors. eta vs tors. theta energy: -193.027
Dist. restrs. and SS energy: 1.693 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -2141.888919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.888919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.304916 (E_RNA)
where:
Base-Base interactions energy: -1459.555
where: short stacking energy: -622.125
Base-Backbone interact. energy: -2.179
local terms energy: -681.571537
where:
bonds (distance) C4'-P energy: -131.277
bonds (distance) P-C4' energy: -129.107
flat angles C4'-P-C4' energy: -170.200
flat angles P-C4'-P energy: -82.008
tors. eta vs tors. theta energy: -168.979
Dist. restrs. and SS energy: 1.416 (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: 3
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -1987.213238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.213238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.975341 (E_RNA)
where:
Base-Base interactions energy: -1310.436
where: short stacking energy: -538.347
Base-Backbone interact. energy: 4.777
local terms energy: -686.316403
where:
bonds (distance) C4'-P energy: -153.001
bonds (distance) P-C4' energy: -148.914
flat angles C4'-P-C4' energy: -155.173
flat angles P-C4'-P energy: -85.602
tors. eta vs tors. theta energy: -143.626
Dist. restrs. and SS energy: 4.762 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -1916.250733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.250733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.574703 (E_RNA)
where:
Base-Base interactions energy: -1316.268
where: short stacking energy: -548.891
Base-Backbone interact. energy: 3.366
local terms energy: -605.673314
where:
bonds (distance) C4'-P energy: -97.260
bonds (distance) P-C4' energy: -134.330
flat angles C4'-P-C4' energy: -146.141
flat angles P-C4'-P energy: -84.239
tors. eta vs tors. theta energy: -143.703
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: 10, replica: 1
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -1854.136260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.136260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.132787 (E_RNA)
where:
Base-Base interactions energy: -1233.996
where: short stacking energy: -524.879
Base-Backbone interact. energy: 2.038
local terms energy: -625.175514
where:
bonds (distance) C4'-P energy: -137.195
bonds (distance) P-C4' energy: -116.030
flat angles C4'-P-C4' energy: -145.020
flat angles P-C4'-P energy: -95.292
tors. eta vs tors. theta energy: -131.639
Dist. restrs. and SS energy: 2.997 (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: 9
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -2955.674178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2955.674178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2956.926901 (E_RNA)
where:
Base-Base interactions energy: -2062.766
where: short stacking energy: -844.948
Base-Backbone interact. energy: 0.019
local terms energy: -894.179643
where:
bonds (distance) C4'-P energy: -149.689
bonds (distance) P-C4' energy: -173.779
flat angles C4'-P-C4' energy: -183.577
flat angles P-C4'-P energy: -129.641
tors. eta vs tors. theta energy: -257.493
Dist. restrs. and SS energy: 1.253 (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: 7
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -2783.553005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.553005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.099191 (E_RNA)
where:
Base-Base interactions energy: -1926.930
where: short stacking energy: -779.902
Base-Backbone interact. energy: -1.732
local terms energy: -857.436818
where:
bonds (distance) C4'-P energy: -168.735
bonds (distance) P-C4' energy: -155.460
flat angles C4'-P-C4' energy: -184.764
flat angles P-C4'-P energy: -114.337
tors. eta vs tors. theta energy: -234.139
Dist. restrs. and SS energy: 2.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -2755.970923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.970923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2759.529114 (E_RNA)
where:
Base-Base interactions energy: -1919.637
where: short stacking energy: -799.834
Base-Backbone interact. energy: 0.164
local terms energy: -840.055702
where:
bonds (distance) C4'-P energy: -164.440
bonds (distance) P-C4' energy: -150.345
flat angles C4'-P-C4' energy: -190.010
flat angles P-C4'-P energy: -103.103
tors. eta vs tors. theta energy: -232.157
Dist. restrs. and SS energy: 3.558 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -2502.728104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.728104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.158236 (E_RNA)
where:
Base-Base interactions energy: -1730.319
where: short stacking energy: -742.394
Base-Backbone interact. energy: -6.543
local terms energy: -768.295812
where:
bonds (distance) C4'-P energy: -131.450
bonds (distance) P-C4' energy: -162.950
flat angles C4'-P-C4' energy: -166.713
flat angles P-C4'-P energy: -106.642
tors. eta vs tors. theta energy: -200.540
Dist. restrs. and SS energy: 2.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -2331.970704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.970704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.152375 (E_RNA)
where:
Base-Base interactions energy: -1575.046
where: short stacking energy: -682.818
Base-Backbone interact. energy: 1.440
local terms energy: -760.547186
where:
bonds (distance) C4'-P energy: -145.593
bonds (distance) P-C4' energy: -144.895
flat angles C4'-P-C4' energy: -169.770
flat angles P-C4'-P energy: -106.874
tors. eta vs tors. theta energy: -193.415
Dist. restrs. and SS energy: 2.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -2284.849499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.849499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.328823 (E_RNA)
where:
Base-Base interactions energy: -1534.195
where: short stacking energy: -640.356
Base-Backbone interact. energy: -3.555
local terms energy: -748.578677
where:
bonds (distance) C4'-P energy: -151.434
bonds (distance) P-C4' energy: -151.027
flat angles C4'-P-C4' energy: -169.153
flat angles P-C4'-P energy: -101.070
tors. eta vs tors. theta energy: -175.895
Dist. restrs. and SS energy: 1.479 (S_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: 320
Temperature: 1.200000
Total energy: -2144.925810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.925810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.598153 (E_RNA)
where:
Base-Base interactions energy: -1457.948
where: short stacking energy: -630.413
Base-Backbone interact. energy: -3.641
local terms energy: -687.008986
where:
bonds (distance) C4'-P energy: -124.080
bonds (distance) P-C4' energy: -136.623
flat angles C4'-P-C4' energy: -161.662
flat angles P-C4'-P energy: -94.312
tors. eta vs tors. theta energy: -170.333
Dist. restrs. and SS energy: 3.672 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -2035.274067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.274067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.806870 (E_RNA)
where:
Base-Base interactions energy: -1372.431
where: short stacking energy: -563.822
Base-Backbone interact. energy: -1.726
local terms energy: -666.649916
where:
bonds (distance) C4'-P energy: -135.192
bonds (distance) P-C4' energy: -143.675
flat angles C4'-P-C4' energy: -135.291
flat angles P-C4'-P energy: -93.909
tors. eta vs tors. theta energy: -158.584
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: 9, replica: 10
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -1969.849670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.849670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.186587 (E_RNA)
where:
Base-Base interactions energy: -1323.383
where: short stacking energy: -572.125
Base-Backbone interact. energy: -1.718
local terms energy: -647.085152
where:
bonds (distance) C4'-P energy: -126.508
bonds (distance) P-C4' energy: -146.147
flat angles C4'-P-C4' energy: -139.548
flat angles P-C4'-P energy: -78.076
tors. eta vs tors. theta energy: -156.807
Dist. restrs. and SS energy: 2.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -1881.452674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.452674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.143593 (E_RNA)
where:
Base-Base interactions energy: -1279.249
where: short stacking energy: -540.849
Base-Backbone interact. energy: 3.511
local terms energy: -608.406086
where:
bonds (distance) C4'-P energy: -112.067
bonds (distance) P-C4' energy: -144.464
flat angles C4'-P-C4' energy: -148.327
flat angles P-C4'-P energy: -71.445
tors. eta vs tors. theta energy: -132.103
Dist. restrs. and SS energy: 2.691 (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: 9
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -2947.121210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2947.121210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2948.966575 (E_RNA)
where:
Base-Base interactions energy: -2027.020
where: short stacking energy: -849.453
Base-Backbone interact. energy: 0.242
local terms energy: -922.187933
where:
bonds (distance) C4'-P energy: -164.598
bonds (distance) P-C4' energy: -169.744
flat angles C4'-P-C4' energy: -187.575
flat angles P-C4'-P energy: -139.467
tors. eta vs tors. theta energy: -260.805
Dist. restrs. and SS energy: 1.845 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -2787.008142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.008142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.064949 (E_RNA)
where:
Base-Base interactions energy: -1955.903
where: short stacking energy: -803.839
Base-Backbone interact. energy: -0.695
local terms energy: -831.467387
where:
bonds (distance) C4'-P energy: -160.696
bonds (distance) P-C4' energy: -147.649
flat angles C4'-P-C4' energy: -177.801
flat angles P-C4'-P energy: -111.508
tors. eta vs tors. theta energy: -233.814
Dist. restrs. and SS energy: 1.057 (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: 7
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -2714.944540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.944540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.856964 (E_RNA)
where:
Base-Base interactions energy: -1888.979
where: short stacking energy: -803.933
Base-Backbone interact. energy: -1.092
local terms energy: -827.785320
where:
bonds (distance) C4'-P energy: -134.240
bonds (distance) P-C4' energy: -147.572
flat angles C4'-P-C4' energy: -189.554
flat angles P-C4'-P energy: -121.492
tors. eta vs tors. theta energy: -234.927
Dist. restrs. and SS energy: 2.912 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -2513.614975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.614975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.683415 (E_RNA)
where:
Base-Base interactions energy: -1729.585
where: short stacking energy: -739.504
Base-Backbone interact. energy: 1.573
local terms energy: -789.671304
where:
bonds (distance) C4'-P energy: -150.140
bonds (distance) P-C4' energy: -161.974
flat angles C4'-P-C4' energy: -168.685
flat angles P-C4'-P energy: -107.064
tors. eta vs tors. theta energy: -201.808
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: 5, replica: 8
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -2339.644091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.644091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.454743 (E_RNA)
where:
Base-Base interactions energy: -1569.251
where: short stacking energy: -686.416
Base-Backbone interact. energy: 5.991
local terms energy: -778.195188
where:
bonds (distance) C4'-P energy: -139.638
bonds (distance) P-C4' energy: -146.170
flat angles C4'-P-C4' energy: -180.782
flat angles P-C4'-P energy: -111.803
tors. eta vs tors. theta energy: -199.801
Dist. restrs. and SS energy: 1.811 (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: 6
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -2293.398929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.398929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.562607 (E_RNA)
where:
Base-Base interactions energy: -1564.961
where: short stacking energy: -682.795
Base-Backbone interact. energy: -1.907
local terms energy: -729.694766
where:
bonds (distance) C4'-P energy: -103.620
bonds (distance) P-C4' energy: -151.966
flat angles C4'-P-C4' energy: -169.255
flat angles P-C4'-P energy: -113.901
tors. eta vs tors. theta energy: -190.953
Dist. restrs. and SS energy: 3.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -2157.946792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.946792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.521093 (E_RNA)
where:
Base-Base interactions energy: -1479.480
where: short stacking energy: -659.713
Base-Backbone interact. energy: 2.270
local terms energy: -682.311472
where:
bonds (distance) C4'-P energy: -128.064
bonds (distance) P-C4' energy: -120.424
flat angles C4'-P-C4' energy: -157.539
flat angles P-C4'-P energy: -100.960
tors. eta vs tors. theta energy: -175.324
Dist. restrs. and SS energy: 1.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -2050.976561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.976561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.714314 (E_RNA)
where:
Base-Base interactions energy: -1396.144
where: short stacking energy: -568.782
Base-Backbone interact. energy: -0.581
local terms energy: -656.989143
where:
bonds (distance) C4'-P energy: -125.606
bonds (distance) P-C4' energy: -144.653
flat angles C4'-P-C4' energy: -141.371
flat angles P-C4'-P energy: -107.453
tors. eta vs tors. theta energy: -137.907
Dist. restrs. and SS energy: 2.738 (S_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: 321
Temperature: 1.300000
Total energy: -1949.610964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.610964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.496091 (E_RNA)
where:
Base-Base interactions energy: -1334.188
where: short stacking energy: -554.658
Base-Backbone interact. energy: 8.984
local terms energy: -627.292038
where:
bonds (distance) C4'-P energy: -122.872
bonds (distance) P-C4' energy: -120.603
flat angles C4'-P-C4' energy: -148.401
flat angles P-C4'-P energy: -85.526
tors. eta vs tors. theta energy: -149.890
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: 10, replica: 1
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -1869.979099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.979099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.014245 (E_RNA)
where:
Base-Base interactions energy: -1293.719
where: short stacking energy: -515.823
Base-Backbone interact. energy: -3.108
local terms energy: -577.187281
where:
bonds (distance) C4'-P energy: -116.445
bonds (distance) P-C4' energy: -112.871
flat angles C4'-P-C4' energy: -145.855
flat angles P-C4'-P energy: -65.848
tors. eta vs tors. theta energy: -136.168
Dist. restrs. and SS energy: 4.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -2936.414254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2936.414254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2937.100804 (E_RNA)
where:
Base-Base interactions energy: -2051.201
where: short stacking energy: -855.916
Base-Backbone interact. energy: -0.971
local terms energy: -884.928959
where:
bonds (distance) C4'-P energy: -147.105
bonds (distance) P-C4' energy: -167.154
flat angles C4'-P-C4' energy: -180.633
flat angles P-C4'-P energy: -133.208
tors. eta vs tors. theta energy: -256.828
Dist. restrs. and SS energy: 0.687 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -2791.580111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.580111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.361922 (E_RNA)
where:
Base-Base interactions energy: -1922.070
where: short stacking energy: -813.585
Base-Backbone interact. energy: -2.237
local terms energy: -869.054525
where:
bonds (distance) C4'-P energy: -172.117
bonds (distance) P-C4' energy: -164.890
flat angles C4'-P-C4' energy: -179.796
flat angles P-C4'-P energy: -122.152
tors. eta vs tors. theta energy: -230.099
Dist. restrs. and SS energy: 1.782 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -2764.178694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.178694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2765.491685 (E_RNA)
where:
Base-Base interactions energy: -1957.883
where: short stacking energy: -800.291
Base-Backbone interact. energy: -2.454
local terms energy: -805.155456
where:
bonds (distance) C4'-P energy: -135.591
bonds (distance) P-C4' energy: -137.831
flat angles C4'-P-C4' energy: -179.773
flat angles P-C4'-P energy: -118.543
tors. eta vs tors. theta energy: -233.417
Dist. restrs. and SS energy: 1.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -2518.550358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.550358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.280159 (E_RNA)
where:
Base-Base interactions energy: -1708.623
where: short stacking energy: -732.849
Base-Backbone interact. energy: 0.746
local terms energy: -812.403312
where:
bonds (distance) C4'-P energy: -134.381
bonds (distance) P-C4' energy: -153.428
flat angles C4'-P-C4' energy: -180.997
flat angles P-C4'-P energy: -123.980
tors. eta vs tors. theta energy: -219.618
Dist. restrs. and SS energy: 1.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -2360.447200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.447200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.514848 (E_RNA)
where:
Base-Base interactions energy: -1617.292
where: short stacking energy: -678.392
Base-Backbone interact. energy: -2.024
local terms energy: -743.198830
where:
bonds (distance) C4'-P energy: -131.593
bonds (distance) P-C4' energy: -139.828
flat angles C4'-P-C4' energy: -182.555
flat angles P-C4'-P energy: -85.976
tors. eta vs tors. theta energy: -203.247
Dist. restrs. and SS energy: 2.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -2289.419446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.419446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.684167 (E_RNA)
where:
Base-Base interactions energy: -1544.136
where: short stacking energy: -669.739
Base-Backbone interact. energy: -0.657
local terms energy: -746.890928
where:
bonds (distance) C4'-P energy: -127.433
bonds (distance) P-C4' energy: -137.328
flat angles C4'-P-C4' energy: -178.236
flat angles P-C4'-P energy: -119.377
tors. eta vs tors. theta energy: -184.516
Dist. restrs. and SS energy: 2.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -2129.476905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.476905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.217885 (E_RNA)
where:
Base-Base interactions energy: -1443.160
where: short stacking energy: -620.909
Base-Backbone interact. energy: 0.934
local terms energy: -688.992183
where:
bonds (distance) C4'-P energy: -113.386
bonds (distance) P-C4' energy: -153.028
flat angles C4'-P-C4' energy: -154.257
flat angles P-C4'-P energy: -105.291
tors. eta vs tors. theta energy: -163.030
Dist. restrs. and SS energy: 1.741 (S_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: 322
Temperature: 1.250000
Total energy: -2041.545109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.545109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.156446 (E_RNA)
where:
Base-Base interactions energy: -1374.297
where: short stacking energy: -590.241
Base-Backbone interact. energy: 2.387
local terms energy: -672.246986
where:
bonds (distance) C4'-P energy: -126.443
bonds (distance) P-C4' energy: -137.683
flat angles C4'-P-C4' energy: -152.866
flat angles P-C4'-P energy: -108.324
tors. eta vs tors. theta energy: -146.930
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: 9, replica: 10
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -1960.045036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.045036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.729290 (E_RNA)
where:
Base-Base interactions energy: -1333.708
where: short stacking energy: -562.093
Base-Backbone interact. energy: -0.883
local terms energy: -627.138120
where:
bonds (distance) C4'-P energy: -106.204
bonds (distance) P-C4' energy: -135.302
flat angles C4'-P-C4' energy: -151.182
flat angles P-C4'-P energy: -81.658
tors. eta vs tors. theta energy: -152.793
Dist. restrs. and SS energy: 1.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -1870.558691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.558691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.157089 (E_RNA)
where:
Base-Base interactions energy: -1293.585
where: short stacking energy: -539.405
Base-Backbone interact. energy: 1.529
local terms energy: -583.100908
where:
bonds (distance) C4'-P energy: -114.180
bonds (distance) P-C4' energy: -128.927
flat angles C4'-P-C4' energy: -125.132
flat angles P-C4'-P energy: -88.931
tors. eta vs tors. theta energy: -125.930
Dist. restrs. and SS energy: 4.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -2948.318619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2948.318619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2949.813548 (E_RNA)
where:
Base-Base interactions energy: -2065.494
where: short stacking energy: -867.208
Base-Backbone interact. energy: -3.744
local terms energy: -880.575324
where:
bonds (distance) C4'-P energy: -156.037
bonds (distance) P-C4' energy: -165.211
flat angles C4'-P-C4' energy: -178.854
flat angles P-C4'-P energy: -121.604
tors. eta vs tors. theta energy: -258.869
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: 7
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -2816.355624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.355624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.091702 (E_RNA)
where:
Base-Base interactions energy: -1953.558
where: short stacking energy: -827.042
Base-Backbone interact. energy: -1.780
local terms energy: -862.754135
where:
bonds (distance) C4'-P energy: -153.056
bonds (distance) P-C4' energy: -168.996
flat angles C4'-P-C4' energy: -179.207
flat angles P-C4'-P energy: -120.679
tors. eta vs tors. theta energy: -240.816
Dist. restrs. and SS energy: 1.736 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -2753.121872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.121872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2754.735444 (E_RNA)
where:
Base-Base interactions energy: -1890.169
where: short stacking energy: -802.090
Base-Backbone interact. energy: -1.251
local terms energy: -863.315961
where:
bonds (distance) C4'-P energy: -157.543
bonds (distance) P-C4' energy: -160.756
flat angles C4'-P-C4' energy: -180.641
flat angles P-C4'-P energy: -125.675
tors. eta vs tors. theta energy: -238.701
Dist. restrs. and SS energy: 1.614 (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: 323
Temperature: 1.050000
Total energy: -2530.495936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.495936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.611588 (E_RNA)
where:
Base-Base interactions energy: -1751.688
where: short stacking energy: -748.604
Base-Backbone interact. energy: -0.218
local terms energy: -780.704928
where:
bonds (distance) C4'-P energy: -121.543
bonds (distance) P-C4' energy: -143.351
flat angles C4'-P-C4' energy: -173.725
flat angles P-C4'-P energy: -121.534
tors. eta vs tors. theta energy: -220.552
Dist. restrs. and SS energy: 2.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -2384.489845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.489845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.234963 (E_RNA)
where:
Base-Base interactions energy: -1630.615
where: short stacking energy: -698.527
Base-Backbone interact. energy: 2.196
local terms energy: -757.816073
where:
bonds (distance) C4'-P energy: -132.649
bonds (distance) P-C4' energy: -153.210
flat angles C4'-P-C4' energy: -164.084
flat angles P-C4'-P energy: -107.532
tors. eta vs tors. theta energy: -200.340
Dist. restrs. and SS energy: 1.745 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -2291.254504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.254504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.040607 (E_RNA)
where:
Base-Base interactions energy: -1554.077
where: short stacking energy: -628.861
Base-Backbone interact. energy: -0.384
local terms energy: -738.580060
where:
bonds (distance) C4'-P energy: -128.716
bonds (distance) P-C4' energy: -168.983
flat angles C4'-P-C4' energy: -165.359
flat angles P-C4'-P energy: -91.877
tors. eta vs tors. theta energy: -183.645
Dist. restrs. and SS energy: 1.786 (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: 2
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -2095.467920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.467920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.087103 (E_RNA)
where:
Base-Base interactions energy: -1420.529
where: short stacking energy: -609.507
Base-Backbone interact. energy: -2.080
local terms energy: -675.477807
where:
bonds (distance) C4'-P energy: -119.165
bonds (distance) P-C4' energy: -132.529
flat angles C4'-P-C4' energy: -150.762
flat angles P-C4'-P energy: -109.167
tors. eta vs tors. theta energy: -163.856
Dist. restrs. and SS energy: 2.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -2060.025600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.025600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.167223 (E_RNA)
where:
Base-Base interactions energy: -1391.279
where: short stacking energy: -612.896
Base-Backbone interact. energy: -2.598
local terms energy: -668.289680
where:
bonds (distance) C4'-P energy: -135.391
bonds (distance) P-C4' energy: -137.037
flat angles C4'-P-C4' energy: -154.129
flat angles P-C4'-P energy: -88.203
tors. eta vs tors. theta energy: -153.529
Dist. restrs. and SS energy: 2.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -1944.408944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.408944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.099698 (E_RNA)
where:
Base-Base interactions energy: -1335.956
where: short stacking energy: -552.340
Base-Backbone interact. energy: -0.691
local terms energy: -610.452633
where:
bonds (distance) C4'-P energy: -107.434
bonds (distance) P-C4' energy: -111.195
flat angles C4'-P-C4' energy: -146.500
flat angles P-C4'-P energy: -94.556
tors. eta vs tors. theta energy: -150.769
Dist. restrs. and SS energy: 2.691 (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: 1
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -1883.938454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.938454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.819413 (E_RNA)
where:
Base-Base interactions energy: -1261.092
where: short stacking energy: -522.059
Base-Backbone interact. energy: -3.652
local terms energy: -622.074462
where:
bonds (distance) C4'-P energy: -118.393
bonds (distance) P-C4' energy: -126.775
flat angles C4'-P-C4' energy: -146.825
flat angles P-C4'-P energy: -95.620
tors. eta vs tors. theta energy: -134.461
Dist. restrs. and SS energy: 2.881 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -2964.141042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2964.141042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2965.138872 (E_RNA)
where:
Base-Base interactions energy: -2096.057
where: short stacking energy: -890.638
Base-Backbone interact. energy: -0.509
local terms energy: -868.573432
where:
bonds (distance) C4'-P energy: -146.910
bonds (distance) P-C4' energy: -165.873
flat angles C4'-P-C4' energy: -172.941
flat angles P-C4'-P energy: -126.572
tors. eta vs tors. theta energy: -256.277
Dist. restrs. and SS energy: 0.998 (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: 7
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -2790.821189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.821189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.224865 (E_RNA)
where:
Base-Base interactions energy: -1952.888
where: short stacking energy: -820.059
Base-Backbone interact. energy: -1.228
local terms energy: -838.108672
where:
bonds (distance) C4'-P energy: -152.772
bonds (distance) P-C4' energy: -157.735
flat angles C4'-P-C4' energy: -173.165
flat angles P-C4'-P energy: -110.559
tors. eta vs tors. theta energy: -243.878
Dist. restrs. and SS energy: 1.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -2768.225387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2768.225387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2769.694284 (E_RNA)
where:
Base-Base interactions energy: -1934.380
where: short stacking energy: -803.148
Base-Backbone interact. energy: -5.242
local terms energy: -830.071390
where:
bonds (distance) C4'-P energy: -153.773
bonds (distance) P-C4' energy: -142.511
flat angles C4'-P-C4' energy: -174.078
flat angles P-C4'-P energy: -116.174
tors. eta vs tors. theta energy: -243.536
Dist. restrs. and SS energy: 1.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -2548.043062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.043062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.746316 (E_RNA)
where:
Base-Base interactions energy: -1743.846
where: short stacking energy: -746.334
Base-Backbone interact. energy: 0.157
local terms energy: -806.056806
where:
bonds (distance) C4'-P energy: -145.900
bonds (distance) P-C4' energy: -162.901
flat angles C4'-P-C4' energy: -168.582
flat angles P-C4'-P energy: -115.274
tors. eta vs tors. theta energy: -213.400
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: 5, replica: 6
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -2394.566276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.566276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.683556 (E_RNA)
where:
Base-Base interactions energy: -1614.894
where: short stacking energy: -691.966
Base-Backbone interact. energy: -3.044
local terms energy: -778.745051
where:
bonds (distance) C4'-P energy: -150.981
bonds (distance) P-C4' energy: -165.799
flat angles C4'-P-C4' energy: -174.507
flat angles P-C4'-P energy: -92.526
tors. eta vs tors. theta energy: -194.932
Dist. restrs. and SS energy: 2.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -2279.323141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.323141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.768755 (E_RNA)
where:
Base-Base interactions energy: -1550.581
where: short stacking energy: -677.984
Base-Backbone interact. energy: 0.636
local terms energy: -732.824184
where:
bonds (distance) C4'-P energy: -128.995
bonds (distance) P-C4' energy: -152.971
flat angles C4'-P-C4' energy: -172.117
flat angles P-C4'-P energy: -101.574
tors. eta vs tors. theta energy: -177.168
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: 7, replica: 2
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -2113.012630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.012630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.726438 (E_RNA)
where:
Base-Base interactions energy: -1423.864
where: short stacking energy: -600.702
Base-Backbone interact. energy: -0.857
local terms energy: -691.005339
where:
bonds (distance) C4'-P energy: -123.674
bonds (distance) P-C4' energy: -148.035
flat angles C4'-P-C4' energy: -151.810
flat angles P-C4'-P energy: -102.225
tors. eta vs tors. theta energy: -165.262
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: 8, replica: 3
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -2038.772237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.772237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.373240 (E_RNA)
where:
Base-Base interactions energy: -1390.904
where: short stacking energy: -575.239
Base-Backbone interact. energy: 2.884
local terms energy: -652.352942
where:
bonds (distance) C4'-P energy: -124.735
bonds (distance) P-C4' energy: -114.726
flat angles C4'-P-C4' energy: -160.185
flat angles P-C4'-P energy: -105.677
tors. eta vs tors. theta energy: -147.030
Dist. restrs. and SS energy: 1.601 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -1908.311311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.311311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.244070 (E_RNA)
where:
Base-Base interactions energy: -1290.394
where: short stacking energy: -536.744
Base-Backbone interact. energy: -3.111
local terms energy: -616.739000
where:
bonds (distance) C4'-P energy: -120.678
bonds (distance) P-C4' energy: -138.221
flat angles C4'-P-C4' energy: -146.644
flat angles P-C4'-P energy: -82.950
tors. eta vs tors. theta energy: -128.245
Dist. restrs. and SS energy: 1.933 (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: 1
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -1880.810117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.810117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.036613 (E_RNA)
where:
Base-Base interactions energy: -1268.337
where: short stacking energy: -556.250
Base-Backbone interact. energy: 1.056
local terms energy: -617.755253
where:
bonds (distance) C4'-P energy: -134.683
bonds (distance) P-C4' energy: -124.180
flat angles C4'-P-C4' energy: -149.255
flat angles P-C4'-P energy: -70.515
tors. eta vs tors. theta energy: -139.123
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: 1, replica: 9
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -2943.858796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2943.858796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2947.042706 (E_RNA)
where:
Base-Base interactions energy: -2061.797
where: short stacking energy: -865.600
Base-Backbone interact. energy: 0.428
local terms energy: -885.673805
where:
bonds (distance) C4'-P energy: -162.820
bonds (distance) P-C4' energy: -163.955
flat angles C4'-P-C4' energy: -183.330
flat angles P-C4'-P energy: -119.021
tors. eta vs tors. theta energy: -256.548
Dist. restrs. and SS energy: 3.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -2820.808664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.808664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2822.243678 (E_RNA)
where:
Base-Base interactions energy: -1975.226
where: short stacking energy: -837.734
Base-Backbone interact. energy: -1.280
local terms energy: -845.737482
where:
bonds (distance) C4'-P energy: -157.524
bonds (distance) P-C4' energy: -147.576
flat angles C4'-P-C4' energy: -188.357
flat angles P-C4'-P energy: -101.366
tors. eta vs tors. theta energy: -250.914
Dist. restrs. and SS energy: 1.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -2737.737467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.737467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.030701 (E_RNA)
where:
Base-Base interactions energy: -1924.056
where: short stacking energy: -794.958
Base-Backbone interact. energy: -0.531
local terms energy: -814.444063
where:
bonds (distance) C4'-P energy: -146.197
bonds (distance) P-C4' energy: -143.524
flat angles C4'-P-C4' energy: -166.428
flat angles P-C4'-P energy: -122.604
tors. eta vs tors. theta energy: -235.690
Dist. restrs. and SS energy: 1.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -2598.478561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.478561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.730087 (E_RNA)
where:
Base-Base interactions energy: -1781.004
where: short stacking energy: -752.385
Base-Backbone interact. energy: -3.022
local terms energy: -816.703311
where:
bonds (distance) C4'-P energy: -148.017
bonds (distance) P-C4' energy: -148.566
flat angles C4'-P-C4' energy: -184.961
flat angles P-C4'-P energy: -117.143
tors. eta vs tors. theta energy: -218.017
Dist. restrs. and SS energy: 2.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -2381.344743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.344743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.867733 (E_RNA)
where:
Base-Base interactions energy: -1618.845
where: short stacking energy: -698.596
Base-Backbone interact. energy: 8.640
local terms energy: -772.662865
where:
bonds (distance) C4'-P energy: -151.361
bonds (distance) P-C4' energy: -150.177
flat angles C4'-P-C4' energy: -170.153
flat angles P-C4'-P energy: -105.708
tors. eta vs tors. theta energy: -195.265
Dist. restrs. and SS energy: 1.523 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -2262.167414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.167414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.685245 (E_RNA)
where:
Base-Base interactions energy: -1558.843
where: short stacking energy: -662.182
Base-Backbone interact. energy: -0.204
local terms energy: -706.637696
where:
bonds (distance) C4'-P energy: -144.555
bonds (distance) P-C4' energy: -135.256
flat angles C4'-P-C4' energy: -152.962
flat angles P-C4'-P energy: -102.126
tors. eta vs tors. theta energy: -171.739
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: 2
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -2141.421181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.421181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.056943 (E_RNA)
where:
Base-Base interactions energy: -1432.479
where: short stacking energy: -626.504
Base-Backbone interact. energy: 2.963
local terms energy: -714.541258
where:
bonds (distance) C4'-P energy: -129.203
bonds (distance) P-C4' energy: -131.874
flat angles C4'-P-C4' energy: -159.170
flat angles P-C4'-P energy: -105.416
tors. eta vs tors. theta energy: -188.878
Dist. restrs. and SS energy: 2.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -2061.147909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.147909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.820803 (E_RNA)
where:
Base-Base interactions energy: -1424.099
where: short stacking energy: -577.322
Base-Backbone interact. energy: 0.883
local terms energy: -639.605010
where:
bonds (distance) C4'-P energy: -135.521
bonds (distance) P-C4' energy: -125.280
flat angles C4'-P-C4' energy: -136.118
flat angles P-C4'-P energy: -86.989
tors. eta vs tors. theta energy: -155.696
Dist. restrs. and SS energy: 1.673 (S_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: 325
Temperature: 1.300000
Total energy: -2012.093658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.093658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.673019 (E_RNA)
where:
Base-Base interactions energy: -1373.106
where: short stacking energy: -596.266
Base-Backbone interact. energy: -2.003
local terms energy: -640.564196
where:
bonds (distance) C4'-P energy: -128.990
bonds (distance) P-C4' energy: -138.316
flat angles C4'-P-C4' energy: -138.217
flat angles P-C4'-P energy: -80.823
tors. eta vs tors. theta energy: -154.218
Dist. restrs. and SS energy: 3.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -1833.984679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.984679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.452353 (E_RNA)
where:
Base-Base interactions energy: -1252.895
where: short stacking energy: -542.228
Base-Backbone interact. energy: -4.926
local terms energy: -580.631872
where:
bonds (distance) C4'-P energy: -116.335
bonds (distance) P-C4' energy: -124.969
flat angles C4'-P-C4' energy: -127.227
flat angles P-C4'-P energy: -80.891
tors. eta vs tors. theta energy: -131.209
Dist. restrs. and SS energy: 4.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -2950.849648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2950.849648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2953.386262 (E_RNA)
where:
Base-Base interactions energy: -2046.885
where: short stacking energy: -838.105
Base-Backbone interact. energy: -0.488
local terms energy: -906.012762
where:
bonds (distance) C4'-P energy: -146.218
bonds (distance) P-C4' energy: -161.928
flat angles C4'-P-C4' energy: -204.215
flat angles P-C4'-P energy: -131.243
tors. eta vs tors. theta energy: -262.409
Dist. restrs. and SS energy: 2.537 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -2818.653817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.653817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2819.486796 (E_RNA)
where:
Base-Base interactions energy: -1963.573
where: short stacking energy: -831.645
Base-Backbone interact. energy: 1.269
local terms energy: -857.182452
where:
bonds (distance) C4'-P energy: -166.152
bonds (distance) P-C4' energy: -154.707
flat angles C4'-P-C4' energy: -176.678
flat angles P-C4'-P energy: -114.058
tors. eta vs tors. theta energy: -245.588
Dist. restrs. and SS energy: 0.833 (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: 4
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -2726.137110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.137110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.831055 (E_RNA)
where:
Base-Base interactions energy: -1909.841
where: short stacking energy: -780.887
Base-Backbone interact. energy: 1.198
local terms energy: -819.187315
where:
bonds (distance) C4'-P energy: -139.954
bonds (distance) P-C4' energy: -169.996
flat angles C4'-P-C4' energy: -168.051
flat angles P-C4'-P energy: -114.727
tors. eta vs tors. theta energy: -226.459
Dist. restrs. and SS energy: 1.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -2536.840058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.840058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.082177 (E_RNA)
where:
Base-Base interactions energy: -1721.059
where: short stacking energy: -702.252
Base-Backbone interact. energy: -4.144
local terms energy: -813.878628
where:
bonds (distance) C4'-P energy: -164.026
bonds (distance) P-C4' energy: -147.171
flat angles C4'-P-C4' energy: -171.797
flat angles P-C4'-P energy: -124.359
tors. eta vs tors. theta energy: -206.526
Dist. restrs. and SS energy: 2.242 (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: 6
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -2356.426704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.426704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.483464 (E_RNA)
where:
Base-Base interactions energy: -1625.259
where: short stacking energy: -690.141
Base-Backbone interact. energy: -4.260
local terms energy: -729.963817
where:
bonds (distance) C4'-P energy: -137.117
bonds (distance) P-C4' energy: -125.303
flat angles C4'-P-C4' energy: -169.054
flat angles P-C4'-P energy: -104.568
tors. eta vs tors. theta energy: -193.922
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: 6, replica: 8
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -2252.609370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.609370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.363887 (E_RNA)
where:
Base-Base interactions energy: -1517.658
where: short stacking energy: -657.838
Base-Backbone interact. energy: 0.180
local terms energy: -737.886219
where:
bonds (distance) C4'-P energy: -146.959
bonds (distance) P-C4' energy: -144.579
flat angles C4'-P-C4' energy: -165.398
flat angles P-C4'-P energy: -94.846
tors. eta vs tors. theta energy: -186.105
Dist. restrs. and SS energy: 2.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -2073.973236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.973236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.823041 (E_RNA)
where:
Base-Base interactions energy: -1406.145
where: short stacking energy: -590.752
Base-Backbone interact. energy: 4.138
local terms energy: -674.815182
where:
bonds (distance) C4'-P energy: -137.390
bonds (distance) P-C4' energy: -136.765
flat angles C4'-P-C4' energy: -157.798
flat angles P-C4'-P energy: -95.756
tors. eta vs tors. theta energy: -147.106
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: 8, replica: 2
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -2055.665874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.665874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.524677 (E_RNA)
where:
Base-Base interactions energy: -1403.826
where: short stacking energy: -585.406
Base-Backbone interact. energy: 12.195
local terms energy: -666.893756
where:
bonds (distance) C4'-P energy: -117.813
bonds (distance) P-C4' energy: -157.058
flat angles C4'-P-C4' energy: -150.837
flat angles P-C4'-P energy: -85.668
tors. eta vs tors. theta energy: -155.519
Dist. restrs. and SS energy: 2.859 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -1926.551234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.551234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.587326 (E_RNA)
where:
Base-Base interactions energy: -1308.490
where: short stacking energy: -551.444
Base-Backbone interact. energy: -1.490
local terms energy: -618.608044
where:
bonds (distance) C4'-P energy: -138.662
bonds (distance) P-C4' energy: -110.056
flat angles C4'-P-C4' energy: -147.115
flat angles P-C4'-P energy: -81.721
tors. eta vs tors. theta energy: -141.053
Dist. restrs. and SS energy: 2.036 (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: 10
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -1827.273210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.273210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.757177 (E_RNA)
where:
Base-Base interactions energy: -1261.098
where: short stacking energy: -539.109
Base-Backbone interact. energy: 6.294
local terms energy: -574.952432
where:
bonds (distance) C4'-P energy: -107.682
bonds (distance) P-C4' energy: -120.154
flat angles C4'-P-C4' energy: -126.531
flat angles P-C4'-P energy: -82.426
tors. eta vs tors. theta energy: -138.159
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: 1, replica: 9
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -2954.567488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2954.567488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2957.230288 (E_RNA)
where:
Base-Base interactions energy: -2061.276
where: short stacking energy: -867.369
Base-Backbone interact. energy: -1.165
local terms energy: -894.789989
where:
bonds (distance) C4'-P energy: -151.101
bonds (distance) P-C4' energy: -167.630
flat angles C4'-P-C4' energy: -195.441
flat angles P-C4'-P energy: -123.911
tors. eta vs tors. theta energy: -256.706
Dist. restrs. and SS energy: 2.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -2809.898095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.898095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.935800 (E_RNA)
where:
Base-Base interactions energy: -1953.112
where: short stacking energy: -806.194
Base-Backbone interact. energy: 2.816
local terms energy: -861.639269
where:
bonds (distance) C4'-P energy: -158.445
bonds (distance) P-C4' energy: -143.485
flat angles C4'-P-C4' energy: -180.128
flat angles P-C4'-P energy: -140.761
tors. eta vs tors. theta energy: -238.820
Dist. restrs. and SS energy: 2.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -2739.919038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.919038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2741.757375 (E_RNA)
where:
Base-Base interactions energy: -1886.691
where: short stacking energy: -792.591
Base-Backbone interact. energy: -2.056
local terms energy: -853.009563
where:
bonds (distance) C4'-P energy: -159.393
bonds (distance) P-C4' energy: -170.870
flat angles C4'-P-C4' energy: -175.292
flat angles P-C4'-P energy: -119.482
tors. eta vs tors. theta energy: -227.972
Dist. restrs. and SS energy: 1.838 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -2547.034839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.034839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.709395 (E_RNA)
where:
Base-Base interactions energy: -1766.722
where: short stacking energy: -750.278
Base-Backbone interact. energy: -1.047
local terms energy: -780.939815
where:
bonds (distance) C4'-P energy: -146.465
bonds (distance) P-C4' energy: -134.086
flat angles C4'-P-C4' energy: -169.333
flat angles P-C4'-P energy: -116.769
tors. eta vs tors. theta energy: -214.286
Dist. restrs. and SS energy: 1.675 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -2338.991702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.991702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.504693 (E_RNA)
where:
Base-Base interactions energy: -1606.499
where: short stacking energy: -670.850
Base-Backbone interact. energy: -1.671
local terms energy: -732.334541
where:
bonds (distance) C4'-P energy: -144.746
bonds (distance) P-C4' energy: -155.553
flat angles C4'-P-C4' energy: -145.439
flat angles P-C4'-P energy: -100.298
tors. eta vs tors. theta energy: -186.298
Dist. restrs. and SS energy: 1.513 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -2257.412946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.412946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.637810 (E_RNA)
where:
Base-Base interactions energy: -1532.861
where: short stacking energy: -647.730
Base-Backbone interact. energy: -1.943
local terms energy: -724.833851
where:
bonds (distance) C4'-P energy: -126.491
bonds (distance) P-C4' energy: -134.390
flat angles C4'-P-C4' energy: -177.026
flat angles P-C4'-P energy: -98.450
tors. eta vs tors. theta energy: -188.477
Dist. restrs. and SS energy: 2.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -2131.812644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.812644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.827329 (E_RNA)
where:
Base-Base interactions energy: -1460.376
where: short stacking energy: -613.091
Base-Backbone interact. energy: 7.400
local terms energy: -679.851028
where:
bonds (distance) C4'-P energy: -142.065
bonds (distance) P-C4' energy: -130.802
flat angles C4'-P-C4' energy: -137.313
flat angles P-C4'-P energy: -94.195
tors. eta vs tors. theta energy: -175.476
Dist. restrs. and SS energy: 1.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -2019.760735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.760735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.385114 (E_RNA)
where:
Base-Base interactions energy: -1335.688
where: short stacking energy: -566.859
Base-Backbone interact. energy: -1.993
local terms energy: -685.703590
where:
bonds (distance) C4'-P energy: -146.761
bonds (distance) P-C4' energy: -138.182
flat angles C4'-P-C4' energy: -164.972
flat angles P-C4'-P energy: -92.009
tors. eta vs tors. theta energy: -143.779
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: 9, replica: 1
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -1906.821472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.821472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.936561 (E_RNA)
where:
Base-Base interactions energy: -1286.875
where: short stacking energy: -552.389
Base-Backbone interact. energy: 0.985
local terms energy: -624.046384
where:
bonds (distance) C4'-P energy: -115.668
bonds (distance) P-C4' energy: -139.557
flat angles C4'-P-C4' energy: -134.842
flat angles P-C4'-P energy: -80.031
tors. eta vs tors. theta energy: -153.948
Dist. restrs. and SS energy: 3.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -1878.627367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.627367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.299201 (E_RNA)
where:
Base-Base interactions energy: -1265.626
where: short stacking energy: -534.290
Base-Backbone interact. energy: -2.257
local terms energy: -622.415708
where:
bonds (distance) C4'-P energy: -115.237
bonds (distance) P-C4' energy: -129.497
flat angles C4'-P-C4' energy: -157.144
flat angles P-C4'-P energy: -87.110
tors. eta vs tors. theta energy: -133.428
Dist. restrs. and SS energy: 11.672 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -2962.887536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2962.887536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2965.749285 (E_RNA)
where:
Base-Base interactions energy: -2080.216
where: short stacking energy: -843.731
Base-Backbone interact. energy: 1.535
local terms energy: -887.068590
where:
bonds (distance) C4'-P energy: -152.481
bonds (distance) P-C4' energy: -171.797
flat angles C4'-P-C4' energy: -180.026
flat angles P-C4'-P energy: -121.616
tors. eta vs tors. theta energy: -261.149
Dist. restrs. and SS energy: 2.862 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -2830.548392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2830.548392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2833.022770 (E_RNA)
where:
Base-Base interactions energy: -2002.198
where: short stacking energy: -846.643
Base-Backbone interact. energy: 3.524
local terms energy: -834.348534
where:
bonds (distance) C4'-P energy: -142.660
bonds (distance) P-C4' energy: -148.153
flat angles C4'-P-C4' energy: -178.572
flat angles P-C4'-P energy: -115.713
tors. eta vs tors. theta energy: -249.250
Dist. restrs. and SS energy: 2.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -2764.742726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.742726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.672848 (E_RNA)
where:
Base-Base interactions energy: -1913.350
where: short stacking energy: -809.558
Base-Backbone interact. energy: -5.968
local terms energy: -847.354099
where:
bonds (distance) C4'-P energy: -162.625
bonds (distance) P-C4' energy: -148.841
flat angles C4'-P-C4' energy: -176.208
flat angles P-C4'-P energy: -127.258
tors. eta vs tors. theta energy: -232.421
Dist. restrs. and SS energy: 1.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -2546.165982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.165982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.055856 (E_RNA)
where:
Base-Base interactions energy: -1741.918
where: short stacking energy: -754.532
Base-Backbone interact. energy: 2.037
local terms energy: -808.174737
where:
bonds (distance) C4'-P energy: -166.228
bonds (distance) P-C4' energy: -159.182
flat angles C4'-P-C4' energy: -161.969
flat angles P-C4'-P energy: -106.927
tors. eta vs tors. theta energy: -213.868
Dist. restrs. and SS energy: 1.890 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -2376.075772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.075772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.368720 (E_RNA)
where:
Base-Base interactions energy: -1615.701
where: short stacking energy: -684.232
Base-Backbone interact. energy: 2.938
local terms energy: -764.605681
where:
bonds (distance) C4'-P energy: -144.063
bonds (distance) P-C4' energy: -160.775
flat angles C4'-P-C4' energy: -165.458
flat angles P-C4'-P energy: -104.217
tors. eta vs tors. theta energy: -190.092
Dist. restrs. and SS energy: 1.293 (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: 8
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -2221.603504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.603504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.584010 (E_RNA)
where:
Base-Base interactions energy: -1491.318
where: short stacking energy: -620.270
Base-Backbone interact. energy: -3.812
local terms energy: -728.453570
where:
bonds (distance) C4'-P energy: -145.772
bonds (distance) P-C4' energy: -131.012
flat angles C4'-P-C4' energy: -169.807
flat angles P-C4'-P energy: -100.807
tors. eta vs tors. theta energy: -181.055
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: 7, replica: 2
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -2123.422736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.422736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.414973 (E_RNA)
where:
Base-Base interactions energy: -1424.246
where: short stacking energy: -596.707
Base-Backbone interact. energy: -2.914
local terms energy: -699.254781
where:
bonds (distance) C4'-P energy: -138.302
bonds (distance) P-C4' energy: -146.597
flat angles C4'-P-C4' energy: -153.327
flat angles P-C4'-P energy: -108.470
tors. eta vs tors. theta energy: -152.558
Dist. restrs. and SS energy: 2.992 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -2037.871061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.871061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.953771 (E_RNA)
where:
Base-Base interactions energy: -1388.550
where: short stacking energy: -605.649
Base-Backbone interact. energy: 6.628
local terms energy: -658.032094
where:
bonds (distance) C4'-P energy: -113.902
bonds (distance) P-C4' energy: -136.134
flat angles C4'-P-C4' energy: -153.234
flat angles P-C4'-P energy: -95.369
tors. eta vs tors. theta energy: -159.393
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: 9, replica: 1
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -1939.662998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.662998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.586981 (E_RNA)
where:
Base-Base interactions energy: -1306.170
where: short stacking energy: -567.995
Base-Backbone interact. energy: -1.941
local terms energy: -634.475954
where:
bonds (distance) C4'-P energy: -120.755
bonds (distance) P-C4' energy: -143.161
flat angles C4'-P-C4' energy: -149.815
flat angles P-C4'-P energy: -82.966
tors. eta vs tors. theta energy: -137.779
Dist. restrs. and SS energy: 2.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -1877.905643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.905643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.671389 (E_RNA)
where:
Base-Base interactions energy: -1285.094
where: short stacking energy: -541.414
Base-Backbone interact. energy: -0.563
local terms energy: -601.013745
where:
bonds (distance) C4'-P energy: -119.610
bonds (distance) P-C4' energy: -112.195
flat angles C4'-P-C4' energy: -142.898
flat angles P-C4'-P energy: -93.053
tors. eta vs tors. theta energy: -133.259
Dist. restrs. and SS energy: 8.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -2971.108843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2971.108843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2974.407406 (E_RNA)
where:
Base-Base interactions energy: -2083.372
where: short stacking energy: -840.985
Base-Backbone interact. energy: 3.671
local terms energy: -894.705666
where:
bonds (distance) C4'-P energy: -169.874
bonds (distance) P-C4' energy: -175.317
flat angles C4'-P-C4' energy: -176.789
flat angles P-C4'-P energy: -126.712
tors. eta vs tors. theta energy: -246.013
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: 7
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -2858.129143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2858.129143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2860.187899 (E_RNA)
where:
Base-Base interactions energy: -1982.271
where: short stacking energy: -821.782
Base-Backbone interact. energy: -1.849
local terms energy: -876.067755
where:
bonds (distance) C4'-P energy: -151.942
bonds (distance) P-C4' energy: -176.894
flat angles C4'-P-C4' energy: -187.884
flat angles P-C4'-P energy: -114.649
tors. eta vs tors. theta energy: -244.699
Dist. restrs. and SS energy: 2.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -2768.370216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2768.370216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2769.403099 (E_RNA)
where:
Base-Base interactions energy: -1961.994
where: short stacking energy: -812.663
Base-Backbone interact. energy: -2.363
local terms energy: -805.045233
where:
bonds (distance) C4'-P energy: -143.274
bonds (distance) P-C4' energy: -157.505
flat angles C4'-P-C4' energy: -161.943
flat angles P-C4'-P energy: -106.429
tors. eta vs tors. theta energy: -235.894
Dist. restrs. and SS energy: 1.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -2511.164358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.164358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.782240 (E_RNA)
where:
Base-Base interactions energy: -1712.650
where: short stacking energy: -746.795
Base-Backbone interact. energy: -1.868
local terms energy: -799.263853
where:
bonds (distance) C4'-P energy: -132.862
bonds (distance) P-C4' energy: -150.261
flat angles C4'-P-C4' energy: -183.459
flat angles P-C4'-P energy: -120.593
tors. eta vs tors. theta energy: -212.089
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: 5, replica: 6
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -2360.961246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.961246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.994088 (E_RNA)
where:
Base-Base interactions energy: -1598.740
where: short stacking energy: -690.723
Base-Backbone interact. energy: 1.175
local terms energy: -766.429816
where:
bonds (distance) C4'-P energy: -135.353
bonds (distance) P-C4' energy: -154.318
flat angles C4'-P-C4' energy: -164.262
flat angles P-C4'-P energy: -110.346
tors. eta vs tors. theta energy: -202.151
Dist. restrs. and SS energy: 3.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -2196.777290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.777290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.102026 (E_RNA)
where:
Base-Base interactions energy: -1484.713
where: short stacking energy: -653.178
Base-Backbone interact. energy: -1.377
local terms energy: -713.012014
where:
bonds (distance) C4'-P energy: -147.897
bonds (distance) P-C4' energy: -137.487
flat angles C4'-P-C4' energy: -159.455
flat angles P-C4'-P energy: -86.195
tors. eta vs tors. theta energy: -181.978
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: 7, replica: 2
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -2103.864840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.864840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.216961 (E_RNA)
where:
Base-Base interactions energy: -1406.353
where: short stacking energy: -594.697
Base-Backbone interact. energy: 1.211
local terms energy: -700.075112
where:
bonds (distance) C4'-P energy: -138.001
bonds (distance) P-C4' energy: -144.797
flat angles C4'-P-C4' energy: -161.002
flat angles P-C4'-P energy: -88.620
tors. eta vs tors. theta energy: -167.656
Dist. restrs. and SS energy: 1.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -2071.385398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.385398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.077686 (E_RNA)
where:
Base-Base interactions energy: -1419.833
where: short stacking energy: -592.808
Base-Backbone interact. energy: -2.155
local terms energy: -651.089360
where:
bonds (distance) C4'-P energy: -133.908
bonds (distance) P-C4' energy: -132.307
flat angles C4'-P-C4' energy: -141.365
flat angles P-C4'-P energy: -95.112
tors. eta vs tors. theta energy: -148.397
Dist. restrs. and SS energy: 1.692 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -1993.033141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.033141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.440044 (E_RNA)
where:
Base-Base interactions energy: -1344.400
where: short stacking energy: -604.875
Base-Backbone interact. energy: -0.028
local terms energy: -653.012834
where:
bonds (distance) C4'-P energy: -135.456
bonds (distance) P-C4' energy: -135.135
flat angles C4'-P-C4' energy: -136.766
flat angles P-C4'-P energy: -72.209
tors. eta vs tors. theta energy: -173.447
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: 10, replica: 10
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -1850.915623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.915623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.277111 (E_RNA)
where:
Base-Base interactions energy: -1288.032
where: short stacking energy: -526.776
Base-Backbone interact. energy: 14.467
local terms energy: -579.712427
where:
bonds (distance) C4'-P energy: -123.122
bonds (distance) P-C4' energy: -126.404
flat angles C4'-P-C4' energy: -128.222
flat angles P-C4'-P energy: -76.025
tors. eta vs tors. theta energy: -125.940
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: 1, replica: 9
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -2997.298642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2997.298642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2999.622226 (E_RNA)
where:
Base-Base interactions energy: -2095.848
where: short stacking energy: -858.951
Base-Backbone interact. energy: -3.661
local terms energy: -900.113490
where:
bonds (distance) C4'-P energy: -162.215
bonds (distance) P-C4' energy: -168.035
flat angles C4'-P-C4' energy: -184.134
flat angles P-C4'-P energy: -129.819
tors. eta vs tors. theta energy: -255.912
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: 2, replica: 7
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -2892.113426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2892.113426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2893.257008 (E_RNA)
where:
Base-Base interactions energy: -1988.743
where: short stacking energy: -814.548
Base-Backbone interact. energy: -5.018
local terms energy: -899.496556
where:
bonds (distance) C4'-P energy: -169.426
bonds (distance) P-C4' energy: -173.883
flat angles C4'-P-C4' energy: -184.127
flat angles P-C4'-P energy: -126.701
tors. eta vs tors. theta energy: -245.360
Dist. restrs. and SS energy: 1.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -2748.276636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2748.276636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.605331 (E_RNA)
where:
Base-Base interactions energy: -1914.217
where: short stacking energy: -808.519
Base-Backbone interact. energy: -1.663
local terms energy: -834.725970
where:
bonds (distance) C4'-P energy: -140.393
bonds (distance) P-C4' energy: -156.543
flat angles C4'-P-C4' energy: -174.836
flat angles P-C4'-P energy: -118.818
tors. eta vs tors. theta energy: -244.135
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: 4, replica: 5
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -2521.127667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.127667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.650986 (E_RNA)
where:
Base-Base interactions energy: -1713.842
where: short stacking energy: -755.944
Base-Backbone interact. energy: -1.102
local terms energy: -807.707249
where:
bonds (distance) C4'-P energy: -142.615
bonds (distance) P-C4' energy: -158.763
flat angles C4'-P-C4' energy: -165.570
flat angles P-C4'-P energy: -109.336
tors. eta vs tors. theta energy: -231.423
Dist. restrs. and SS energy: 1.523 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -2316.593937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.593937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.689735 (E_RNA)
where:
Base-Base interactions energy: -1570.305
where: short stacking energy: -686.185
Base-Backbone interact. energy: -2.344
local terms energy: -746.040284
where:
bonds (distance) C4'-P energy: -122.634
bonds (distance) P-C4' energy: -138.498
flat angles C4'-P-C4' energy: -178.838
flat angles P-C4'-P energy: -115.768
tors. eta vs tors. theta energy: -190.302
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: 6, replica: 8
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -2246.942459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.942459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.134573 (E_RNA)
where:
Base-Base interactions energy: -1489.275
where: short stacking energy: -636.438
Base-Backbone interact. energy: -3.007
local terms energy: -755.852383
where:
bonds (distance) C4'-P energy: -146.223
bonds (distance) P-C4' energy: -154.447
flat angles C4'-P-C4' energy: -167.988
flat angles P-C4'-P energy: -121.079
tors. eta vs tors. theta energy: -166.116
Dist. restrs. and SS energy: 1.192 (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: 3
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -2086.148899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.148899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.842598 (E_RNA)
where:
Base-Base interactions energy: -1394.220
where: short stacking energy: -617.733
Base-Backbone interact. energy: -3.607
local terms energy: -692.015870
where:
bonds (distance) C4'-P energy: -137.388
bonds (distance) P-C4' energy: -141.013
flat angles C4'-P-C4' energy: -153.667
flat angles P-C4'-P energy: -97.898
tors. eta vs tors. theta energy: -162.050
Dist. restrs. and SS energy: 3.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -2007.232235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.232235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.479468 (E_RNA)
where:
Base-Base interactions energy: -1381.457
where: short stacking energy: -573.381
Base-Backbone interact. energy: -3.496
local terms energy: -624.526143
where:
bonds (distance) C4'-P energy: -131.665
bonds (distance) P-C4' energy: -134.456
flat angles C4'-P-C4' energy: -137.640
flat angles P-C4'-P energy: -80.791
tors. eta vs tors. theta energy: -139.973
Dist. restrs. and SS energy: 2.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -1945.129895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.129895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.186734 (E_RNA)
where:
Base-Base interactions energy: -1324.918
where: short stacking energy: -547.451
Base-Backbone interact. energy: 3.458
local terms energy: -628.726810
where:
bonds (distance) C4'-P energy: -117.613
bonds (distance) P-C4' energy: -146.996
flat angles C4'-P-C4' energy: -135.521
flat angles P-C4'-P energy: -89.634
tors. eta vs tors. theta energy: -138.964
Dist. restrs. and SS energy: 5.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -1893.485953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.485953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.103172 (E_RNA)
where:
Base-Base interactions energy: -1306.153
where: short stacking energy: -532.424
Base-Backbone interact. energy: 5.404
local terms energy: -595.354128
where:
bonds (distance) C4'-P energy: -117.474
bonds (distance) P-C4' energy: -124.626
flat angles C4'-P-C4' energy: -134.614
flat angles P-C4'-P energy: -77.165
tors. eta vs tors. theta energy: -141.476
Dist. restrs. and SS energy: 2.617 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -2933.458024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2933.458024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2936.300266 (E_RNA)
where:
Base-Base interactions energy: -2060.616
where: short stacking energy: -831.005
Base-Backbone interact. energy: -0.855
local terms energy: -874.829492
where:
bonds (distance) C4'-P energy: -160.159
bonds (distance) P-C4' energy: -159.040
flat angles C4'-P-C4' energy: -190.265
flat angles P-C4'-P energy: -119.128
tors. eta vs tors. theta energy: -246.238
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: 2, replica: 7
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -2840.372167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2840.372167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2843.263112 (E_RNA)
where:
Base-Base interactions energy: -1959.811
where: short stacking energy: -832.379
Base-Backbone interact. energy: -1.976
local terms energy: -881.476359
where:
bonds (distance) C4'-P energy: -160.966
bonds (distance) P-C4' energy: -152.192
flat angles C4'-P-C4' energy: -189.568
flat angles P-C4'-P energy: -132.142
tors. eta vs tors. theta energy: -246.609
Dist. restrs. and SS energy: 2.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -2720.868751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.868751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.940152 (E_RNA)
where:
Base-Base interactions energy: -1876.943
where: short stacking energy: -788.339
Base-Backbone interact. energy: -4.989
local terms energy: -841.007977
where:
bonds (distance) C4'-P energy: -142.693
bonds (distance) P-C4' energy: -159.409
flat angles C4'-P-C4' energy: -180.441
flat angles P-C4'-P energy: -118.105
tors. eta vs tors. theta energy: -240.359
Dist. restrs. and SS energy: 2.071 (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: 5
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -2519.057746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.057746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.878910 (E_RNA)
where:
Base-Base interactions energy: -1723.504
where: short stacking energy: -738.481
Base-Backbone interact. energy: -1.197
local terms energy: -796.177944
where:
bonds (distance) C4'-P energy: -152.094
bonds (distance) P-C4' energy: -157.269
flat angles C4'-P-C4' energy: -170.238
flat angles P-C4'-P energy: -113.835
tors. eta vs tors. theta energy: -202.742
Dist. restrs. and SS energy: 1.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -2370.397498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.397498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.008536 (E_RNA)
where:
Base-Base interactions energy: -1625.936
where: short stacking energy: -701.692
Base-Backbone interact. energy: -1.456
local terms energy: -744.616313
where:
bonds (distance) C4'-P energy: -127.989
bonds (distance) P-C4' energy: -138.156
flat angles C4'-P-C4' energy: -169.277
flat angles P-C4'-P energy: -114.288
tors. eta vs tors. theta energy: -194.907
Dist. restrs. and SS energy: 1.611 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -2248.289379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.289379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.489027 (E_RNA)
where:
Base-Base interactions energy: -1516.151
where: short stacking energy: -623.253
Base-Backbone interact. energy: 5.199
local terms energy: -739.536332
where:
bonds (distance) C4'-P energy: -145.954
bonds (distance) P-C4' energy: -141.581
flat angles C4'-P-C4' energy: -164.962
flat angles P-C4'-P energy: -112.490
tors. eta vs tors. theta energy: -174.549
Dist. restrs. and SS energy: 2.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -2056.174605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.174605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.095670 (E_RNA)
where:
Base-Base interactions energy: -1376.533
where: short stacking energy: -594.163
Base-Backbone interact. energy: -3.475
local terms energy: -679.087576
where:
bonds (distance) C4'-P energy: -131.293
bonds (distance) P-C4' energy: -141.720
flat angles C4'-P-C4' energy: -140.369
flat angles P-C4'-P energy: -117.411
tors. eta vs tors. theta energy: -148.295
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: 8, replica: 2
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -2006.915788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.915788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.411772 (E_RNA)
where:
Base-Base interactions energy: -1328.703
where: short stacking energy: -560.463
Base-Backbone interact. energy: -2.503
local terms energy: -678.206208
where:
bonds (distance) C4'-P energy: -138.567
bonds (distance) P-C4' energy: -149.948
flat angles C4'-P-C4' energy: -161.063
flat angles P-C4'-P energy: -95.224
tors. eta vs tors. theta energy: -133.405
Dist. restrs. and SS energy: 2.496 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -1947.801652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.801652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.283157 (E_RNA)
where:
Base-Base interactions energy: -1321.903
where: short stacking energy: -545.488
Base-Backbone interact. energy: -1.033
local terms energy: -627.347082
where:
bonds (distance) C4'-P energy: -132.785
bonds (distance) P-C4' energy: -138.330
flat angles C4'-P-C4' energy: -136.309
flat angles P-C4'-P energy: -93.548
tors. eta vs tors. theta energy: -126.377
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: 10, replica: 1
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -1846.868947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.868947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.617002 (E_RNA)
where:
Base-Base interactions energy: -1231.660
where: short stacking energy: -512.381
Base-Backbone interact. energy: -0.186
local terms energy: -618.771222
where:
bonds (distance) C4'-P energy: -127.384
bonds (distance) P-C4' energy: -122.330
flat angles C4'-P-C4' energy: -153.877
flat angles P-C4'-P energy: -85.621
tors. eta vs tors. theta energy: -129.559
Dist. restrs. and SS energy: 3.748 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -2929.831606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2929.831606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2932.473205 (E_RNA)
where:
Base-Base interactions energy: -2040.281
where: short stacking energy: -837.939
Base-Backbone interact. energy: -0.756
local terms energy: -891.436298
where:
bonds (distance) C4'-P energy: -167.979
bonds (distance) P-C4' energy: -156.099
flat angles C4'-P-C4' energy: -185.785
flat angles P-C4'-P energy: -126.604
tors. eta vs tors. theta energy: -254.969
Dist. restrs. and SS energy: 2.642 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -2842.831278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2842.831278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2845.765810 (E_RNA)
where:
Base-Base interactions energy: -1972.538
where: short stacking energy: -826.703
Base-Backbone interact. energy: -0.116
local terms energy: -873.112121
where:
bonds (distance) C4'-P energy: -144.620
bonds (distance) P-C4' energy: -179.291
flat angles C4'-P-C4' energy: -184.491
flat angles P-C4'-P energy: -117.005
tors. eta vs tors. theta energy: -247.705
Dist. restrs. and SS energy: 2.935 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -2743.059089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2743.059089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.200554 (E_RNA)
where:
Base-Base interactions energy: -1933.124
where: short stacking energy: -779.928
Base-Backbone interact. energy: -3.582
local terms energy: -808.494435
where:
bonds (distance) C4'-P energy: -135.177
bonds (distance) P-C4' energy: -153.906
flat angles C4'-P-C4' energy: -168.513
flat angles P-C4'-P energy: -116.104
tors. eta vs tors. theta energy: -234.794
Dist. restrs. and SS energy: 2.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -2512.556258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.556258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.062461 (E_RNA)
where:
Base-Base interactions energy: -1739.461
where: short stacking energy: -715.086
Base-Backbone interact. energy: -1.979
local terms energy: -773.622179
where:
bonds (distance) C4'-P energy: -146.489
bonds (distance) P-C4' energy: -152.538
flat angles C4'-P-C4' energy: -155.934
flat angles P-C4'-P energy: -118.557
tors. eta vs tors. theta energy: -200.104
Dist. restrs. and SS energy: 2.506 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -2376.332854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.332854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.674846 (E_RNA)
where:
Base-Base interactions energy: -1638.019
where: short stacking energy: -700.140
Base-Backbone interact. energy: -0.603
local terms energy: -740.052915
where:
bonds (distance) C4'-P energy: -131.516
bonds (distance) P-C4' energy: -141.517
flat angles C4'-P-C4' energy: -160.542
flat angles P-C4'-P energy: -108.967
tors. eta vs tors. theta energy: -197.511
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: 6, replica: 8
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -2235.537777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.537777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.445650 (E_RNA)
where:
Base-Base interactions energy: -1499.721
where: short stacking energy: -620.537
Base-Backbone interact. energy: 0.544
local terms energy: -738.269160
where:
bonds (distance) C4'-P energy: -142.754
bonds (distance) P-C4' energy: -152.765
flat angles C4'-P-C4' energy: -165.595
flat angles P-C4'-P energy: -109.724
tors. eta vs tors. theta energy: -167.431
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: 7, replica: 3
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -2095.032566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.032566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.972297 (E_RNA)
where:
Base-Base interactions energy: -1393.702
where: short stacking energy: -606.918
Base-Backbone interact. energy: 3.310
local terms energy: -708.580303
where:
bonds (distance) C4'-P energy: -136.573
bonds (distance) P-C4' energy: -147.523
flat angles C4'-P-C4' energy: -138.038
flat angles P-C4'-P energy: -113.222
tors. eta vs tors. theta energy: -173.223
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: 8, replica: 2
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -2021.641306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.641306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.604724 (E_RNA)
where:
Base-Base interactions energy: -1374.141
where: short stacking energy: -593.372
Base-Backbone interact. energy: -4.116
local terms energy: -645.347113
where:
bonds (distance) C4'-P energy: -123.779
bonds (distance) P-C4' energy: -132.060
flat angles C4'-P-C4' energy: -144.536
flat angles P-C4'-P energy: -94.347
tors. eta vs tors. theta energy: -150.625
Dist. restrs. and SS energy: 1.963 (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: 10
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -1965.497746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.497746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.792263 (E_RNA)
where:
Base-Base interactions energy: -1340.783
where: short stacking energy: -552.179
Base-Backbone interact. energy: 2.055
local terms energy: -630.064880
where:
bonds (distance) C4'-P energy: -123.802
bonds (distance) P-C4' energy: -132.167
flat angles C4'-P-C4' energy: -143.672
flat angles P-C4'-P energy: -94.620
tors. eta vs tors. theta energy: -135.803
Dist. restrs. and SS energy: 3.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -1885.377061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.377061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.194079 (E_RNA)
where:
Base-Base interactions energy: -1272.408
where: short stacking energy: -558.715
Base-Backbone interact. energy: 1.326
local terms energy: -621.112290
where:
bonds (distance) C4'-P energy: -140.075
bonds (distance) P-C4' energy: -129.789
flat angles C4'-P-C4' energy: -140.097
flat angles P-C4'-P energy: -88.936
tors. eta vs tors. theta energy: -122.216
Dist. restrs. and SS energy: 6.817 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -2950.204558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2950.204558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2952.274224 (E_RNA)
where:
Base-Base interactions energy: -2040.306
where: short stacking energy: -869.529
Base-Backbone interact. energy: -1.477
local terms energy: -910.491807
where:
bonds (distance) C4'-P energy: -168.925
bonds (distance) P-C4' energy: -169.112
flat angles C4'-P-C4' energy: -186.586
flat angles P-C4'-P energy: -130.098
tors. eta vs tors. theta energy: -255.770
Dist. restrs. and SS energy: 2.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -2791.128543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.128543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.261637 (E_RNA)
where:
Base-Base interactions energy: -1932.030
where: short stacking energy: -809.227
Base-Backbone interact. energy: -4.606
local terms energy: -857.625440
where:
bonds (distance) C4'-P energy: -170.440
bonds (distance) P-C4' energy: -157.139
flat angles C4'-P-C4' energy: -183.235
flat angles P-C4'-P energy: -109.576
tors. eta vs tors. theta energy: -237.234
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: 3, replica: 4
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -2741.678429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.678429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.136939 (E_RNA)
where:
Base-Base interactions energy: -1913.630
where: short stacking energy: -798.509
Base-Backbone interact. energy: -2.091
local terms energy: -828.416375
where:
bonds (distance) C4'-P energy: -156.719
bonds (distance) P-C4' energy: -149.710
flat angles C4'-P-C4' energy: -176.771
flat angles P-C4'-P energy: -105.505
tors. eta vs tors. theta energy: -239.711
Dist. restrs. and SS energy: 2.459 (S_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: 333
Temperature: 1.050000
Total energy: -2541.104123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.104123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.489887 (E_RNA)
where:
Base-Base interactions energy: -1769.379
where: short stacking energy: -729.461
Base-Backbone interact. energy: -1.158
local terms energy: -771.952801
where:
bonds (distance) C4'-P energy: -142.692
bonds (distance) P-C4' energy: -158.075
flat angles C4'-P-C4' energy: -153.447
flat angles P-C4'-P energy: -110.958
tors. eta vs tors. theta energy: -206.782
Dist. restrs. and SS energy: 1.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -2343.245370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.245370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.218998 (E_RNA)
where:
Base-Base interactions energy: -1575.537
where: short stacking energy: -701.230
Base-Backbone interact. energy: 0.326
local terms energy: -770.008458
where:
bonds (distance) C4'-P energy: -139.515
bonds (distance) P-C4' energy: -148.132
flat angles C4'-P-C4' energy: -173.249
flat angles P-C4'-P energy: -106.663
tors. eta vs tors. theta energy: -202.450
Dist. restrs. and SS energy: 1.974 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -2228.422033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.422033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.495776 (E_RNA)
where:
Base-Base interactions energy: -1494.458
where: short stacking energy: -628.978
Base-Backbone interact. energy: -2.505
local terms energy: -734.532720
where:
bonds (distance) C4'-P energy: -145.531
bonds (distance) P-C4' energy: -139.956
flat angles C4'-P-C4' energy: -169.898
flat angles P-C4'-P energy: -100.061
tors. eta vs tors. theta energy: -179.088
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: 7, replica: 3
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -2083.451499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.451499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.277799 (E_RNA)
where:
Base-Base interactions energy: -1425.885
where: short stacking energy: -608.442
Base-Backbone interact. energy: 7.408
local terms energy: -668.799985
where:
bonds (distance) C4'-P energy: -128.112
bonds (distance) P-C4' energy: -131.989
flat angles C4'-P-C4' energy: -154.677
flat angles P-C4'-P energy: -107.362
tors. eta vs tors. theta energy: -146.660
Dist. restrs. and SS energy: 3.826 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -2066.570025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.570025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.265520 (E_RNA)
where:
Base-Base interactions energy: -1399.183
where: short stacking energy: -605.268
Base-Backbone interact. energy: -2.649
local terms energy: -667.433623
where:
bonds (distance) C4'-P energy: -104.328
bonds (distance) P-C4' energy: -144.865
flat angles C4'-P-C4' energy: -158.838
flat angles P-C4'-P energy: -78.054
tors. eta vs tors. theta energy: -181.349
Dist. restrs. and SS energy: 2.695 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -1949.229397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.229397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.796398 (E_RNA)
where:
Base-Base interactions energy: -1334.308
where: short stacking energy: -579.285
Base-Backbone interact. energy: -0.054
local terms energy: -617.433986
where:
bonds (distance) C4'-P energy: -130.341
bonds (distance) P-C4' energy: -127.501
flat angles C4'-P-C4' energy: -134.757
flat angles P-C4'-P energy: -79.599
tors. eta vs tors. theta energy: -145.236
Dist. restrs. and SS energy: 2.567 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -1858.030790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.030790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.971503 (E_RNA)
where:
Base-Base interactions energy: -1300.894
where: short stacking energy: -549.980
Base-Backbone interact. energy: 6.859
local terms energy: -567.937010
where:
bonds (distance) C4'-P energy: -123.119
bonds (distance) P-C4' energy: -103.182
flat angles C4'-P-C4' energy: -138.333
flat angles P-C4'-P energy: -74.678
tors. eta vs tors. theta energy: -128.626
Dist. restrs. and SS energy: 3.941 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -2940.508248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2940.508248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2943.845108 (E_RNA)
where:
Base-Base interactions energy: -2044.364
where: short stacking energy: -851.013
Base-Backbone interact. energy: -4.278
local terms energy: -895.202563
where:
bonds (distance) C4'-P energy: -167.816
bonds (distance) P-C4' energy: -159.222
flat angles C4'-P-C4' energy: -190.342
flat angles P-C4'-P energy: -133.469
tors. eta vs tors. theta energy: -244.353
Dist. restrs. and SS energy: 3.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -2793.969591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.969591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.479703 (E_RNA)
where:
Base-Base interactions energy: -1931.130
where: short stacking energy: -776.513
Base-Backbone interact. energy: -2.343
local terms energy: -863.006657
where:
bonds (distance) C4'-P energy: -154.983
bonds (distance) P-C4' energy: -170.295
flat angles C4'-P-C4' energy: -174.852
flat angles P-C4'-P energy: -128.009
tors. eta vs tors. theta energy: -234.867
Dist. restrs. and SS energy: 2.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -2791.727746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.727746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.196007 (E_RNA)
where:
Base-Base interactions energy: -1957.375
where: short stacking energy: -830.127
Base-Backbone interact. energy: 1.146
local terms energy: -836.966996
where:
bonds (distance) C4'-P energy: -154.804
bonds (distance) P-C4' energy: -153.306
flat angles C4'-P-C4' energy: -175.262
flat angles P-C4'-P energy: -110.624
tors. eta vs tors. theta energy: -242.971
Dist. restrs. and SS energy: 1.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -2523.214650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.214650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.686380 (E_RNA)
where:
Base-Base interactions energy: -1726.422
where: short stacking energy: -719.242
Base-Backbone interact. energy: 1.339
local terms energy: -799.603272
where:
bonds (distance) C4'-P energy: -159.376
bonds (distance) P-C4' energy: -149.057
flat angles C4'-P-C4' energy: -170.724
flat angles P-C4'-P energy: -119.241
tors. eta vs tors. theta energy: -201.206
Dist. restrs. and SS energy: 1.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -2313.491496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.491496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.373402 (E_RNA)
where:
Base-Base interactions energy: -1590.320
where: short stacking energy: -698.729
Base-Backbone interact. energy: 6.631
local terms energy: -731.683520
where:
bonds (distance) C4'-P energy: -134.972
bonds (distance) P-C4' energy: -144.634
flat angles C4'-P-C4' energy: -156.229
flat angles P-C4'-P energy: -112.257
tors. eta vs tors. theta energy: -183.592
Dist. restrs. and SS energy: 1.882 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -2224.939047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.939047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.569052 (E_RNA)
where:
Base-Base interactions energy: -1484.933
where: short stacking energy: -641.123
Base-Backbone interact. energy: -1.737
local terms energy: -740.898464
where:
bonds (distance) C4'-P energy: -147.363
bonds (distance) P-C4' energy: -150.768
flat angles C4'-P-C4' energy: -152.983
flat angles P-C4'-P energy: -115.823
tors. eta vs tors. theta energy: -173.961
Dist. restrs. and SS energy: 2.630 (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: 3
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -2075.532872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.532872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.972527 (E_RNA)
where:
Base-Base interactions energy: -1397.378
where: short stacking energy: -595.881
Base-Backbone interact. energy: -3.411
local terms energy: -678.183027
where:
bonds (distance) C4'-P energy: -120.600
bonds (distance) P-C4' energy: -146.081
flat angles C4'-P-C4' energy: -146.161
flat angles P-C4'-P energy: -107.532
tors. eta vs tors. theta energy: -157.809
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: 8, replica: 2
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -2015.951382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.951382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.624227 (E_RNA)
where:
Base-Base interactions energy: -1344.779
where: short stacking energy: -570.298
Base-Backbone interact. energy: -2.537
local terms energy: -671.307836
where:
bonds (distance) C4'-P energy: -119.457
bonds (distance) P-C4' energy: -144.778
flat angles C4'-P-C4' energy: -177.113
flat angles P-C4'-P energy: -95.921
tors. eta vs tors. theta energy: -134.039
Dist. restrs. and SS energy: 2.673 (S_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: 334
Temperature: 1.300000
Total energy: -1961.547046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.547046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.633263 (E_RNA)
where:
Base-Base interactions energy: -1343.603
where: short stacking energy: -553.797
Base-Backbone interact. energy: -4.054
local terms energy: -615.976142
where:
bonds (distance) C4'-P energy: -109.656
bonds (distance) P-C4' energy: -130.746
flat angles C4'-P-C4' energy: -137.054
flat angles P-C4'-P energy: -102.965
tors. eta vs tors. theta energy: -135.555
Dist. restrs. and SS energy: 2.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -1877.536752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.536752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.290403 (E_RNA)
where:
Base-Base interactions energy: -1277.188
where: short stacking energy: -542.307
Base-Backbone interact. energy: -0.697
local terms energy: -602.405532
where:
bonds (distance) C4'-P energy: -122.490
bonds (distance) P-C4' energy: -140.010
flat angles C4'-P-C4' energy: -131.190
flat angles P-C4'-P energy: -69.640
tors. eta vs tors. theta energy: -139.076
Dist. restrs. and SS energy: 2.754 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -2957.120789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2957.120789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2958.560688 (E_RNA)
where:
Base-Base interactions energy: -2063.446
where: short stacking energy: -842.010
Base-Backbone interact. energy: -3.458
local terms energy: -891.656824
where:
bonds (distance) C4'-P energy: -161.478
bonds (distance) P-C4' energy: -138.909
flat angles C4'-P-C4' energy: -204.006
flat angles P-C4'-P energy: -136.152
tors. eta vs tors. theta energy: -251.112
Dist. restrs. and SS energy: 1.440 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -2802.841856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.841856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.624184 (E_RNA)
where:
Base-Base interactions energy: -1950.517
where: short stacking energy: -787.357
Base-Backbone interact. energy: -1.875
local terms energy: -853.231739
where:
bonds (distance) C4'-P energy: -157.299
bonds (distance) P-C4' energy: -154.772
flat angles C4'-P-C4' energy: -176.951
flat angles P-C4'-P energy: -133.070
tors. eta vs tors. theta energy: -231.140
Dist. restrs. and SS energy: 2.782 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -2791.943250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.943250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.388537 (E_RNA)
where:
Base-Base interactions energy: -1951.531
where: short stacking energy: -814.750
Base-Backbone interact. energy: -7.602
local terms energy: -834.255040
where:
bonds (distance) C4'-P energy: -135.431
bonds (distance) P-C4' energy: -161.575
flat angles C4'-P-C4' energy: -183.157
flat angles P-C4'-P energy: -114.414
tors. eta vs tors. theta energy: -239.678
Dist. restrs. and SS energy: 1.445 (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: 5
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -2530.848921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.848921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.456825 (E_RNA)
where:
Base-Base interactions energy: -1733.403
where: short stacking energy: -737.169
Base-Backbone interact. energy: 2.666
local terms energy: -800.719597
where:
bonds (distance) C4'-P energy: -152.207
bonds (distance) P-C4' energy: -142.515
flat angles C4'-P-C4' energy: -176.813
flat angles P-C4'-P energy: -116.238
tors. eta vs tors. theta energy: -212.947
Dist. restrs. and SS energy: 0.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -2315.218272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.218272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.060355 (E_RNA)
where:
Base-Base interactions energy: -1565.532
where: short stacking energy: -641.381
Base-Backbone interact. energy: 0.859
local terms energy: -753.387322
where:
bonds (distance) C4'-P energy: -127.789
bonds (distance) P-C4' energy: -157.675
flat angles C4'-P-C4' energy: -179.509
flat angles P-C4'-P energy: -104.539
tors. eta vs tors. theta energy: -183.876
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: 6, replica: 6
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -2222.385353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.385353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.087018 (E_RNA)
where:
Base-Base interactions energy: -1523.486
where: short stacking energy: -660.711
Base-Backbone interact. energy: 3.794
local terms energy: -705.395271
where:
bonds (distance) C4'-P energy: -142.515
bonds (distance) P-C4' energy: -137.681
flat angles C4'-P-C4' energy: -152.029
flat angles P-C4'-P energy: -90.874
tors. eta vs tors. theta energy: -182.297
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: 7, replica: 3
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -2093.516651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.516651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.250119 (E_RNA)
where:
Base-Base interactions energy: -1413.407
where: short stacking energy: -603.342
Base-Backbone interact. energy: -1.228
local terms energy: -683.615170
where:
bonds (distance) C4'-P energy: -129.195
bonds (distance) P-C4' energy: -144.366
flat angles C4'-P-C4' energy: -165.767
flat angles P-C4'-P energy: -78.522
tors. eta vs tors. theta energy: -165.765
Dist. restrs. and SS energy: 4.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -2008.836693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.836693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.566933 (E_RNA)
where:
Base-Base interactions energy: -1361.051
where: short stacking energy: -582.916
Base-Backbone interact. energy: -3.053
local terms energy: -648.463072
where:
bonds (distance) C4'-P energy: -114.093
bonds (distance) P-C4' energy: -130.121
flat angles C4'-P-C4' energy: -160.758
flat angles P-C4'-P energy: -100.377
tors. eta vs tors. theta energy: -143.114
Dist. restrs. and SS energy: 3.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -1942.499060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.499060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.631109 (E_RNA)
where:
Base-Base interactions energy: -1338.047
where: short stacking energy: -535.496
Base-Backbone interact. energy: 0.866
local terms energy: -610.450278
where:
bonds (distance) C4'-P energy: -127.486
bonds (distance) P-C4' energy: -123.254
flat angles C4'-P-C4' energy: -128.795
flat angles P-C4'-P energy: -78.774
tors. eta vs tors. theta energy: -152.142
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: 10, replica: 1
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -1951.716305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.716305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.537600 (E_RNA)
where:
Base-Base interactions energy: -1287.954
where: short stacking energy: -530.328
Base-Backbone interact. energy: -1.848
local terms energy: -664.735401
where:
bonds (distance) C4'-P energy: -151.524
bonds (distance) P-C4' energy: -132.090
flat angles C4'-P-C4' energy: -136.954
flat angles P-C4'-P energy: -100.130
tors. eta vs tors. theta energy: -144.038
Dist. restrs. and SS energy: 2.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -2941.640462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2941.640462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2943.337150 (E_RNA)
where:
Base-Base interactions energy: -2035.181
where: short stacking energy: -818.787
Base-Backbone interact. energy: -1.036
local terms energy: -907.120391
where:
bonds (distance) C4'-P energy: -163.877
bonds (distance) P-C4' energy: -178.570
flat angles C4'-P-C4' energy: -185.583
flat angles P-C4'-P energy: -142.071
tors. eta vs tors. theta energy: -237.019
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: 2, replica: 7
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -2800.690879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.690879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.073020 (E_RNA)
where:
Base-Base interactions energy: -1940.290
where: short stacking energy: -794.738
Base-Backbone interact. energy: -0.994
local terms energy: -860.788649
where:
bonds (distance) C4'-P energy: -157.414
bonds (distance) P-C4' energy: -177.860
flat angles C4'-P-C4' energy: -174.056
flat angles P-C4'-P energy: -117.920
tors. eta vs tors. theta energy: -233.540
Dist. restrs. and SS energy: 1.382 (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: 4
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -2741.117004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.117004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.486733 (E_RNA)
where:
Base-Base interactions energy: -1910.710
where: short stacking energy: -792.747
Base-Backbone interact. energy: -2.551
local terms energy: -829.226054
where:
bonds (distance) C4'-P energy: -138.702
bonds (distance) P-C4' energy: -159.381
flat angles C4'-P-C4' energy: -175.117
flat angles P-C4'-P energy: -119.978
tors. eta vs tors. theta energy: -236.049
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: 4, replica: 5
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -2463.658980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.658980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.002350 (E_RNA)
where:
Base-Base interactions energy: -1663.859
where: short stacking energy: -730.078
Base-Backbone interact. energy: 0.423
local terms energy: -801.567184
where:
bonds (distance) C4'-P energy: -157.411
bonds (distance) P-C4' energy: -153.554
flat angles C4'-P-C4' energy: -173.886
flat angles P-C4'-P energy: -122.648
tors. eta vs tors. theta energy: -194.068
Dist. restrs. and SS energy: 1.343 (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: 8
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -2360.031561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.031561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.372549 (E_RNA)
where:
Base-Base interactions energy: -1638.191
where: short stacking energy: -680.196
Base-Backbone interact. energy: -0.831
local terms energy: -723.350665
where:
bonds (distance) C4'-P energy: -135.928
bonds (distance) P-C4' energy: -122.790
flat angles C4'-P-C4' energy: -168.503
flat angles P-C4'-P energy: -114.982
tors. eta vs tors. theta energy: -181.148
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: 6, replica: 6
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -2262.640899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.640899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.941606 (E_RNA)
where:
Base-Base interactions energy: -1525.528
where: short stacking energy: -664.457
Base-Backbone interact. energy: 3.107
local terms energy: -742.520047
where:
bonds (distance) C4'-P energy: -138.945
bonds (distance) P-C4' energy: -135.147
flat angles C4'-P-C4' energy: -174.605
flat angles P-C4'-P energy: -97.194
tors. eta vs tors. theta energy: -196.629
Dist. restrs. and SS energy: 2.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -2123.753157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.753157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.489426 (E_RNA)
where:
Base-Base interactions energy: -1448.140
where: short stacking energy: -612.845
Base-Backbone interact. energy: 4.733
local terms energy: -682.081678
where:
bonds (distance) C4'-P energy: -143.943
bonds (distance) P-C4' energy: -136.893
flat angles C4'-P-C4' energy: -151.931
flat angles P-C4'-P energy: -88.881
tors. eta vs tors. theta energy: -160.433
Dist. restrs. and SS energy: 1.736 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -2037.333194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.333194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.172995 (E_RNA)
where:
Base-Base interactions energy: -1379.640
where: short stacking energy: -583.764
Base-Backbone interact. energy: -2.166
local terms energy: -657.367376
where:
bonds (distance) C4'-P energy: -121.206
bonds (distance) P-C4' energy: -128.117
flat angles C4'-P-C4' energy: -155.640
flat angles P-C4'-P energy: -95.954
tors. eta vs tors. theta energy: -156.451
Dist. restrs. and SS energy: 1.840 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -1936.415318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.415318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.723098 (E_RNA)
where:
Base-Base interactions energy: -1287.145
where: short stacking energy: -532.343
Base-Backbone interact. energy: 1.078
local terms energy: -652.656221
where:
bonds (distance) C4'-P energy: -138.826
bonds (distance) P-C4' energy: -131.301
flat angles C4'-P-C4' energy: -145.416
flat angles P-C4'-P energy: -100.969
tors. eta vs tors. theta energy: -136.144
Dist. restrs. and SS energy: 2.308 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -1853.995700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.995700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.205333 (E_RNA)
where:
Base-Base interactions energy: -1270.312
where: short stacking energy: -528.008
Base-Backbone interact. energy: 3.510
local terms energy: -590.402705
where:
bonds (distance) C4'-P energy: -133.406
bonds (distance) P-C4' energy: -127.138
flat angles C4'-P-C4' energy: -131.491
flat angles P-C4'-P energy: -78.215
tors. eta vs tors. theta energy: -120.152
Dist. restrs. and SS energy: 3.210 (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: 9
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -2965.139676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2965.139676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2966.694370 (E_RNA)
where:
Base-Base interactions energy: -2077.516
where: short stacking energy: -864.209
Base-Backbone interact. energy: -0.397
local terms energy: -888.781367
where:
bonds (distance) C4'-P energy: -153.199
bonds (distance) P-C4' energy: -166.564
flat angles C4'-P-C4' energy: -187.908
flat angles P-C4'-P energy: -122.766
tors. eta vs tors. theta energy: -258.345
Dist. restrs. and SS energy: 1.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -2791.438026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.438026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.404800 (E_RNA)
where:
Base-Base interactions energy: -1939.514
where: short stacking energy: -797.946
Base-Backbone interact. energy: -1.452
local terms energy: -852.438907
where:
bonds (distance) C4'-P energy: -149.621
bonds (distance) P-C4' energy: -151.129
flat angles C4'-P-C4' energy: -188.241
flat angles P-C4'-P energy: -126.576
tors. eta vs tors. theta energy: -236.872
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: 3, replica: 4
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -2745.523587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.523587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.035973 (E_RNA)
where:
Base-Base interactions energy: -1959.070
where: short stacking energy: -796.377
Base-Backbone interact. energy: 12.578
local terms energy: -800.543804
where:
bonds (distance) C4'-P energy: -140.700
bonds (distance) P-C4' energy: -141.580
flat angles C4'-P-C4' energy: -171.579
flat angles P-C4'-P energy: -115.782
tors. eta vs tors. theta energy: -230.902
Dist. restrs. and SS energy: 1.512 (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: 5
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -2492.533070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.533070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.024526 (E_RNA)
where:
Base-Base interactions energy: -1701.363
where: short stacking energy: -725.170
Base-Backbone interact. energy: 2.480
local terms energy: -797.141635
where:
bonds (distance) C4'-P energy: -153.711
bonds (distance) P-C4' energy: -159.395
flat angles C4'-P-C4' energy: -163.917
flat angles P-C4'-P energy: -110.250
tors. eta vs tors. theta energy: -209.869
Dist. restrs. and SS energy: 3.491 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -2302.694990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.694990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.449611 (E_RNA)
where:
Base-Base interactions energy: -1566.782
where: short stacking energy: -682.479
Base-Backbone interact. energy: 2.206
local terms energy: -739.873466
where:
bonds (distance) C4'-P energy: -148.854
bonds (distance) P-C4' energy: -141.112
flat angles C4'-P-C4' energy: -159.790
flat angles P-C4'-P energy: -101.127
tors. eta vs tors. theta energy: -188.991
Dist. restrs. and SS energy: 1.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -2239.087070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.087070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.198604 (E_RNA)
where:
Base-Base interactions energy: -1506.080
where: short stacking energy: -636.774
Base-Backbone interact. energy: -1.666
local terms energy: -733.451793
where:
bonds (distance) C4'-P energy: -128.258
bonds (distance) P-C4' energy: -155.566
flat angles C4'-P-C4' energy: -167.050
flat angles P-C4'-P energy: -103.035
tors. eta vs tors. theta energy: -179.542
Dist. restrs. and SS energy: 2.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -2122.610669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.610669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.413749 (E_RNA)
where:
Base-Base interactions energy: -1459.640
where: short stacking energy: -648.494
Base-Backbone interact. energy: -0.351
local terms energy: -664.423301
where:
bonds (distance) C4'-P energy: -120.130
bonds (distance) P-C4' energy: -141.750
flat angles C4'-P-C4' energy: -145.508
flat angles P-C4'-P energy: -95.460
tors. eta vs tors. theta energy: -161.575
Dist. restrs. and SS energy: 1.803 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -1965.547243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.547243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.563606 (E_RNA)
where:
Base-Base interactions energy: -1319.047
where: short stacking energy: -576.065
Base-Backbone interact. energy: -2.681
local terms energy: -644.835330
where:
bonds (distance) C4'-P energy: -128.837
bonds (distance) P-C4' energy: -125.801
flat angles C4'-P-C4' energy: -158.080
flat angles P-C4'-P energy: -77.698
tors. eta vs tors. theta energy: -154.420
Dist. restrs. and SS energy: 1.016 (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: 2
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -1906.737502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.737502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.378882 (E_RNA)
where:
Base-Base interactions energy: -1286.595
where: short stacking energy: -532.704
Base-Backbone interact. energy: -4.354
local terms energy: -619.429858
where:
bonds (distance) C4'-P energy: -116.637
bonds (distance) P-C4' energy: -151.261
flat angles C4'-P-C4' energy: -138.623
flat angles P-C4'-P energy: -86.271
tors. eta vs tors. theta energy: -126.637
Dist. restrs. and SS energy: 3.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -1822.854099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.854099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.146797 (E_RNA)
where:
Base-Base interactions energy: -1226.255
where: short stacking energy: -516.049
Base-Backbone interact. energy: 4.721
local terms energy: -605.613331
where:
bonds (distance) C4'-P energy: -131.354
bonds (distance) P-C4' energy: -132.534
flat angles C4'-P-C4' energy: -132.839
flat angles P-C4'-P energy: -83.911
tors. eta vs tors. theta energy: -124.975
Dist. restrs. and SS energy: 4.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -2940.171007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2940.171007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2943.009354 (E_RNA)
where:
Base-Base interactions energy: -2038.808
where: short stacking energy: -836.586
Base-Backbone interact. energy: 3.256
local terms energy: -907.456825
where:
bonds (distance) C4'-P energy: -175.784
bonds (distance) P-C4' energy: -156.800
flat angles C4'-P-C4' energy: -191.213
flat angles P-C4'-P energy: -129.618
tors. eta vs tors. theta energy: -254.042
Dist. restrs. and SS energy: 2.838 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -2830.154398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2830.154398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2831.733848 (E_RNA)
where:
Base-Base interactions energy: -1976.932
where: short stacking energy: -845.942
Base-Backbone interact. energy: -0.299
local terms energy: -854.503055
where:
bonds (distance) C4'-P energy: -164.479
bonds (distance) P-C4' energy: -157.500
flat angles C4'-P-C4' energy: -175.402
flat angles P-C4'-P energy: -113.817
tors. eta vs tors. theta energy: -243.305
Dist. restrs. and SS energy: 1.579 (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: 4
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -2751.700352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.700352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.390825 (E_RNA)
where:
Base-Base interactions energy: -1940.656
where: short stacking energy: -817.724
Base-Backbone interact. energy: -4.429
local terms energy: -808.305948
where:
bonds (distance) C4'-P energy: -149.415
bonds (distance) P-C4' energy: -132.722
flat angles C4'-P-C4' energy: -186.200
flat angles P-C4'-P energy: -114.357
tors. eta vs tors. theta energy: -225.612
Dist. restrs. and SS energy: 1.690 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -2497.122991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.122991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.920836 (E_RNA)
where:
Base-Base interactions energy: -1723.916
where: short stacking energy: -739.067
Base-Backbone interact. energy: -0.551
local terms energy: -774.452911
where:
bonds (distance) C4'-P energy: -145.895
bonds (distance) P-C4' energy: -149.183
flat angles C4'-P-C4' energy: -163.460
flat angles P-C4'-P energy: -101.786
tors. eta vs tors. theta energy: -214.129
Dist. restrs. and SS energy: 1.798 (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: 8
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -2343.764186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.764186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.648277 (E_RNA)
where:
Base-Base interactions energy: -1592.149
where: short stacking energy: -694.883
Base-Backbone interact. energy: 0.417
local terms energy: -753.916871
where:
bonds (distance) C4'-P energy: -144.293
bonds (distance) P-C4' energy: -121.981
flat angles C4'-P-C4' energy: -167.080
flat angles P-C4'-P energy: -115.887
tors. eta vs tors. theta energy: -204.676
Dist. restrs. and SS energy: 1.884 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -2264.055755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.055755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.658097 (E_RNA)
where:
Base-Base interactions energy: -1541.170
where: short stacking energy: -647.608
Base-Backbone interact. energy: -1.682
local terms energy: -722.806100
where:
bonds (distance) C4'-P energy: -123.345
bonds (distance) P-C4' energy: -143.212
flat angles C4'-P-C4' energy: -168.160
flat angles P-C4'-P energy: -113.044
tors. eta vs tors. theta energy: -175.045
Dist. restrs. and SS energy: 1.602 (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: 338
Temperature: 1.200000
Total energy: -2112.145305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.145305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.688865 (E_RNA)
where:
Base-Base interactions energy: -1419.456
where: short stacking energy: -599.692
Base-Backbone interact. energy: -0.203
local terms energy: -694.029780
where:
bonds (distance) C4'-P energy: -139.905
bonds (distance) P-C4' energy: -128.932
flat angles C4'-P-C4' energy: -146.849
flat angles P-C4'-P energy: -114.829
tors. eta vs tors. theta energy: -163.514
Dist. restrs. and SS energy: 1.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -2009.873996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.873996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.376284 (E_RNA)
where:
Base-Base interactions energy: -1386.178
where: short stacking energy: -583.952
Base-Backbone interact. energy: 4.690
local terms energy: -630.888029
where:
bonds (distance) C4'-P energy: -140.041
bonds (distance) P-C4' energy: -123.072
flat angles C4'-P-C4' energy: -141.561
flat angles P-C4'-P energy: -66.134
tors. eta vs tors. theta energy: -160.081
Dist. restrs. and SS energy: 2.502 (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: 10
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -1942.180800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.180800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.000915 (E_RNA)
where:
Base-Base interactions energy: -1308.638
where: short stacking energy: -549.557
Base-Backbone interact. energy: 0.104
local terms energy: -635.467200
where:
bonds (distance) C4'-P energy: -139.407
bonds (distance) P-C4' energy: -122.168
flat angles C4'-P-C4' energy: -140.456
flat angles P-C4'-P energy: -87.040
tors. eta vs tors. theta energy: -146.395
Dist. restrs. and SS energy: 1.820 (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: 2
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -1866.566349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.566349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.030266 (E_RNA)
where:
Base-Base interactions energy: -1279.267
where: short stacking energy: -544.166
Base-Backbone interact. energy: 2.251
local terms energy: -597.014330
where:
bonds (distance) C4'-P energy: -128.020
bonds (distance) P-C4' energy: -110.894
flat angles C4'-P-C4' energy: -154.507
flat angles P-C4'-P energy: -79.196
tors. eta vs tors. theta energy: -124.398
Dist. restrs. and SS energy: 7.464 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -2914.265852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2914.265852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2915.999171 (E_RNA)
where:
Base-Base interactions energy: -2015.971
where: short stacking energy: -843.000
Base-Backbone interact. energy: -0.859
local terms energy: -899.169832
where:
bonds (distance) C4'-P energy: -173.206
bonds (distance) P-C4' energy: -171.691
flat angles C4'-P-C4' energy: -183.775
flat angles P-C4'-P energy: -120.011
tors. eta vs tors. theta energy: -250.487
Dist. restrs. and SS energy: 1.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -2788.292307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.292307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.368576 (E_RNA)
where:
Base-Base interactions energy: -1923.703
where: short stacking energy: -819.080
Base-Backbone interact. energy: -6.454
local terms energy: -859.212070
where:
bonds (distance) C4'-P energy: -150.375
bonds (distance) P-C4' energy: -169.949
flat angles C4'-P-C4' energy: -190.141
flat angles P-C4'-P energy: -107.101
tors. eta vs tors. theta energy: -241.646
Dist. restrs. and SS energy: 1.076 (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: 4
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -2737.865925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.865925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.412239 (E_RNA)
where:
Base-Base interactions energy: -1900.355
where: short stacking energy: -786.785
Base-Backbone interact. energy: -0.927
local terms energy: -839.130052
where:
bonds (distance) C4'-P energy: -160.562
bonds (distance) P-C4' energy: -158.410
flat angles C4'-P-C4' energy: -175.040
flat angles P-C4'-P energy: -121.932
tors. eta vs tors. theta energy: -223.186
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: 4, replica: 5
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -2477.359150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.359150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.075581 (E_RNA)
where:
Base-Base interactions energy: -1679.486
where: short stacking energy: -682.713
Base-Backbone interact. energy: 3.025
local terms energy: -803.614592
where:
bonds (distance) C4'-P energy: -162.017
bonds (distance) P-C4' energy: -173.153
flat angles C4'-P-C4' energy: -178.595
flat angles P-C4'-P energy: -109.312
tors. eta vs tors. theta energy: -180.538
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: 5, replica: 8
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -2380.022104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.022104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.020662 (E_RNA)
where:
Base-Base interactions energy: -1635.128
where: short stacking energy: -697.094
Base-Backbone interact. energy: -1.883
local terms energy: -744.010035
where:
bonds (distance) C4'-P energy: -136.343
bonds (distance) P-C4' energy: -139.739
flat angles C4'-P-C4' energy: -162.580
flat angles P-C4'-P energy: -103.595
tors. eta vs tors. theta energy: -201.754
Dist. restrs. and SS energy: 0.999 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -2230.545050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.545050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.841034 (E_RNA)
where:
Base-Base interactions energy: -1520.411
where: short stacking energy: -654.200
Base-Backbone interact. energy: 1.577
local terms energy: -714.006660
where:
bonds (distance) C4'-P energy: -134.719
bonds (distance) P-C4' energy: -146.745
flat angles C4'-P-C4' energy: -155.327
flat angles P-C4'-P energy: -90.707
tors. eta vs tors. theta energy: -186.508
Dist. restrs. and SS energy: 2.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -2059.429171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.429171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.061587 (E_RNA)
where:
Base-Base interactions energy: -1363.894
where: short stacking energy: -572.396
Base-Backbone interact. energy: 0.530
local terms energy: -697.698042
where:
bonds (distance) C4'-P energy: -161.198
bonds (distance) P-C4' energy: -134.096
flat angles C4'-P-C4' energy: -146.191
flat angles P-C4'-P energy: -100.007
tors. eta vs tors. theta energy: -156.206
Dist. restrs. and SS energy: 1.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -2024.209999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.209999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.491890 (E_RNA)
where:
Base-Base interactions energy: -1390.589
where: short stacking energy: -592.702
Base-Backbone interact. energy: 1.016
local terms energy: -637.918525
where:
bonds (distance) C4'-P energy: -130.057
bonds (distance) P-C4' energy: -102.178
flat angles C4'-P-C4' energy: -155.535
flat angles P-C4'-P energy: -95.829
tors. eta vs tors. theta energy: -154.319
Dist. restrs. and SS energy: 3.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -1954.902519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.902519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.007095 (E_RNA)
where:
Base-Base interactions energy: -1289.388
where: short stacking energy: -554.250
Base-Backbone interact. energy: -3.632
local terms energy: -663.987089
where:
bonds (distance) C4'-P energy: -128.583
bonds (distance) P-C4' energy: -125.028
flat angles C4'-P-C4' energy: -169.733
flat angles P-C4'-P energy: -96.775
tors. eta vs tors. theta energy: -143.868
Dist. restrs. and SS energy: 2.105 (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: 2
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -1838.849735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.849735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.694751 (E_RNA)
where:
Base-Base interactions energy: -1254.731
where: short stacking energy: -531.451
Base-Backbone interact. energy: 7.010
local terms energy: -600.973621
where:
bonds (distance) C4'-P energy: -110.032
bonds (distance) P-C4' energy: -133.701
flat angles C4'-P-C4' energy: -137.019
flat angles P-C4'-P energy: -73.959
tors. eta vs tors. theta energy: -146.263
Dist. restrs. and SS energy: 9.845 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -2965.019912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2965.019912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2966.463743 (E_RNA)
where:
Base-Base interactions energy: -2076.609
where: short stacking energy: -868.032
Base-Backbone interact. energy: -0.138
local terms energy: -889.716080
where:
bonds (distance) C4'-P energy: -169.122
bonds (distance) P-C4' energy: -155.875
flat angles C4'-P-C4' energy: -186.620
flat angles P-C4'-P energy: -123.381
tors. eta vs tors. theta energy: -254.718
Dist. restrs. and SS energy: 1.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -2804.035008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2804.035008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.407985 (E_RNA)
where:
Base-Base interactions energy: -1958.683
where: short stacking energy: -805.798
Base-Backbone interact. energy: 6.088
local terms energy: -852.813619
where:
bonds (distance) C4'-P energy: -162.270
bonds (distance) P-C4' energy: -165.313
flat angles C4'-P-C4' energy: -177.730
flat angles P-C4'-P energy: -107.144
tors. eta vs tors. theta energy: -240.357
Dist. restrs. and SS energy: 1.373 (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: 4
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -2769.002479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.002479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2772.223390 (E_RNA)
where:
Base-Base interactions energy: -1955.074
where: short stacking energy: -794.099
Base-Backbone interact. energy: -4.330
local terms energy: -812.819929
where:
bonds (distance) C4'-P energy: -143.812
bonds (distance) P-C4' energy: -132.155
flat angles C4'-P-C4' energy: -179.778
flat angles P-C4'-P energy: -120.531
tors. eta vs tors. theta energy: -236.544
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: 4, replica: 5
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -2508.074812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.074812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.559486 (E_RNA)
where:
Base-Base interactions energy: -1730.626
where: short stacking energy: -710.139
Base-Backbone interact. energy: -3.611
local terms energy: -775.322044
where:
bonds (distance) C4'-P energy: -154.298
bonds (distance) P-C4' energy: -142.942
flat angles C4'-P-C4' energy: -171.341
flat angles P-C4'-P energy: -108.089
tors. eta vs tors. theta energy: -198.653
Dist. restrs. and SS energy: 1.485 (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: 340
Temperature: 1.100000
Total energy: -2392.631831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.631831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.820556 (E_RNA)
where:
Base-Base interactions energy: -1669.172
where: short stacking energy: -735.550
Base-Backbone interact. energy: -0.700
local terms energy: -724.948692
where:
bonds (distance) C4'-P energy: -127.344
bonds (distance) P-C4' energy: -124.937
flat angles C4'-P-C4' energy: -151.916
flat angles P-C4'-P energy: -108.120
tors. eta vs tors. theta energy: -212.631
Dist. restrs. and SS energy: 2.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -2236.587353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.587353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.746181 (E_RNA)
where:
Base-Base interactions energy: -1531.906
where: short stacking energy: -646.508
Base-Backbone interact. energy: -1.164
local terms energy: -705.676284
where:
bonds (distance) C4'-P energy: -140.681
bonds (distance) P-C4' energy: -133.550
flat angles C4'-P-C4' energy: -151.240
flat angles P-C4'-P energy: -99.809
tors. eta vs tors. theta energy: -180.396
Dist. restrs. and SS energy: 2.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -2119.358653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.358653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.191257 (E_RNA)
where:
Base-Base interactions energy: -1398.126
where: short stacking energy: -627.443
Base-Backbone interact. energy: 1.305
local terms energy: -726.370429
where:
bonds (distance) C4'-P energy: -140.200
bonds (distance) P-C4' energy: -150.538
flat angles C4'-P-C4' energy: -155.036
flat angles P-C4'-P energy: -98.598
tors. eta vs tors. theta energy: -181.998
Dist. restrs. and SS energy: 3.833 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -2035.612980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.612980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.436927 (E_RNA)
where:
Base-Base interactions energy: -1362.757
where: short stacking energy: -561.971
Base-Backbone interact. energy: -2.762
local terms energy: -671.917743
where:
bonds (distance) C4'-P energy: -122.212
bonds (distance) P-C4' energy: -134.263
flat angles C4'-P-C4' energy: -159.307
flat angles P-C4'-P energy: -102.227
tors. eta vs tors. theta energy: -153.909
Dist. restrs. and SS energy: 1.824 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -1918.772588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.772588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.065153 (E_RNA)
where:
Base-Base interactions energy: -1323.895
where: short stacking energy: -565.097
Base-Backbone interact. energy: -2.349
local terms energy: -598.820783
where:
bonds (distance) C4'-P energy: -113.297
bonds (distance) P-C4' energy: -135.797
flat angles C4'-P-C4' energy: -138.395
flat angles P-C4'-P energy: -86.754
tors. eta vs tors. theta energy: -124.577
Dist. restrs. and SS energy: 6.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -1783.962222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.962222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.797358 (E_RNA)
where:
Base-Base interactions energy: -1215.769
where: short stacking energy: -490.524
Base-Backbone interact. energy: -3.164
local terms energy: -568.863718
where:
bonds (distance) C4'-P energy: -119.452
bonds (distance) P-C4' energy: -128.069
flat angles C4'-P-C4' energy: -135.531
flat angles P-C4'-P energy: -77.052
tors. eta vs tors. theta energy: -108.760
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: 1, replica: 9
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -2939.985676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2939.985676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2941.263159 (E_RNA)
where:
Base-Base interactions energy: -2045.643
where: short stacking energy: -882.252
Base-Backbone interact. energy: -5.228
local terms energy: -890.391903
where:
bonds (distance) C4'-P energy: -161.203
bonds (distance) P-C4' energy: -163.565
flat angles C4'-P-C4' energy: -179.726
flat angles P-C4'-P energy: -123.599
tors. eta vs tors. theta energy: -262.300
Dist. restrs. and SS energy: 1.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -2800.046846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.046846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.099528 (E_RNA)
where:
Base-Base interactions energy: -1964.656
where: short stacking energy: -850.357
Base-Backbone interact. energy: 2.705
local terms energy: -839.148758
where:
bonds (distance) C4'-P energy: -145.943
bonds (distance) P-C4' energy: -172.118
flat angles C4'-P-C4' energy: -176.834
flat angles P-C4'-P energy: -103.687
tors. eta vs tors. theta energy: -240.567
Dist. restrs. and SS energy: 1.053 (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: 4
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -2772.421691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2772.421691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.443808 (E_RNA)
where:
Base-Base interactions energy: -1947.362
where: short stacking energy: -816.940
Base-Backbone interact. energy: -1.878
local terms energy: -825.204263
where:
bonds (distance) C4'-P energy: -151.480
bonds (distance) P-C4' energy: -145.981
flat angles C4'-P-C4' energy: -186.031
flat angles P-C4'-P energy: -120.854
tors. eta vs tors. theta energy: -220.858
Dist. restrs. and SS energy: 2.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -2449.351861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.351861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.447439 (E_RNA)
where:
Base-Base interactions energy: -1625.744
where: short stacking energy: -690.896
Base-Backbone interact. energy: 0.809
local terms energy: -825.512835
where:
bonds (distance) C4'-P energy: -163.661
bonds (distance) P-C4' energy: -154.632
flat angles C4'-P-C4' energy: -183.255
flat angles P-C4'-P energy: -117.174
tors. eta vs tors. theta energy: -206.791
Dist. restrs. and SS energy: 1.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -2424.654813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.654813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.720917 (E_RNA)
where:
Base-Base interactions energy: -1677.552
where: short stacking energy: -711.731
Base-Backbone interact. energy: -0.615
local terms energy: -749.554021
where:
bonds (distance) C4'-P energy: -151.014
bonds (distance) P-C4' energy: -132.802
flat angles C4'-P-C4' energy: -163.576
flat angles P-C4'-P energy: -105.417
tors. eta vs tors. theta energy: -196.745
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: 6, replica: 6
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -2266.512369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.512369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.142542 (E_RNA)
where:
Base-Base interactions energy: -1526.191
where: short stacking energy: -646.261
Base-Backbone interact. energy: 0.805
local terms energy: -742.756615
where:
bonds (distance) C4'-P energy: -135.357
bonds (distance) P-C4' energy: -156.733
flat angles C4'-P-C4' energy: -144.649
flat angles P-C4'-P energy: -114.311
tors. eta vs tors. theta energy: -191.707
Dist. restrs. and SS energy: 1.630 (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: 3
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -2081.205041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.205041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.721730 (E_RNA)
where:
Base-Base interactions energy: -1404.804
where: short stacking energy: -598.302
Base-Backbone interact. energy: -1.575
local terms energy: -677.342695
where:
bonds (distance) C4'-P energy: -124.768
bonds (distance) P-C4' energy: -142.099
flat angles C4'-P-C4' energy: -145.056
flat angles P-C4'-P energy: -96.060
tors. eta vs tors. theta energy: -169.359
Dist. restrs. and SS energy: 2.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -2029.642612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.642612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.669982 (E_RNA)
where:
Base-Base interactions energy: -1383.607
where: short stacking energy: -606.883
Base-Backbone interact. energy: -1.095
local terms energy: -646.968316
where:
bonds (distance) C4'-P energy: -120.172
bonds (distance) P-C4' energy: -130.298
flat angles C4'-P-C4' energy: -150.469
flat angles P-C4'-P energy: -91.053
tors. eta vs tors. theta energy: -154.977
Dist. restrs. and SS energy: 2.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -1926.660694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.660694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.221942 (E_RNA)
where:
Base-Base interactions energy: -1321.679
where: short stacking energy: -577.764
Base-Backbone interact. energy: 1.797
local terms energy: -610.339880
where:
bonds (distance) C4'-P energy: -103.066
bonds (distance) P-C4' energy: -118.630
flat angles C4'-P-C4' energy: -155.221
flat angles P-C4'-P energy: -87.581
tors. eta vs tors. theta energy: -145.842
Dist. restrs. and SS energy: 3.561 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -1775.387741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.387741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.486599 (E_RNA)
where:
Base-Base interactions energy: -1178.848
where: short stacking energy: -507.569
Base-Backbone interact. energy: -2.150
local terms energy: -604.488599
where:
bonds (distance) C4'-P energy: -119.563
bonds (distance) P-C4' energy: -124.126
flat angles C4'-P-C4' energy: -146.495
flat angles P-C4'-P energy: -83.028
tors. eta vs tors. theta energy: -131.277
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: 1, replica: 9
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -2936.774511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2936.774511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2938.400902 (E_RNA)
where:
Base-Base interactions energy: -2029.087
where: short stacking energy: -858.705
Base-Backbone interact. energy: -3.789
local terms energy: -905.524999
where:
bonds (distance) C4'-P energy: -162.857
bonds (distance) P-C4' energy: -163.415
flat angles C4'-P-C4' energy: -197.071
flat angles P-C4'-P energy: -127.588
tors. eta vs tors. theta energy: -254.594
Dist. restrs. and SS energy: 1.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -2828.316915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2828.316915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2830.244782 (E_RNA)
where:
Base-Base interactions energy: -1950.061
where: short stacking energy: -800.061
Base-Backbone interact. energy: -0.932
local terms energy: -879.251299
where:
bonds (distance) C4'-P energy: -149.955
bonds (distance) P-C4' energy: -164.816
flat angles C4'-P-C4' energy: -190.233
flat angles P-C4'-P energy: -134.134
tors. eta vs tors. theta energy: -240.114
Dist. restrs. and SS energy: 1.928 (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: 4
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -2730.865317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.865317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.113918 (E_RNA)
where:
Base-Base interactions energy: -1918.818
where: short stacking energy: -776.413
Base-Backbone interact. energy: -4.230
local terms energy: -810.066097
where:
bonds (distance) C4'-P energy: -149.062
bonds (distance) P-C4' energy: -136.512
flat angles C4'-P-C4' energy: -178.879
flat angles P-C4'-P energy: -111.425
tors. eta vs tors. theta energy: -234.189
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: 8
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -2436.370637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.370637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.094933 (E_RNA)
where:
Base-Base interactions energy: -1638.802
where: short stacking energy: -731.157
Base-Backbone interact. energy: 1.423
local terms energy: -800.715171
where:
bonds (distance) C4'-P energy: -151.135
bonds (distance) P-C4' energy: -148.394
flat angles C4'-P-C4' energy: -177.602
flat angles P-C4'-P energy: -107.521
tors. eta vs tors. theta energy: -216.064
Dist. restrs. and SS energy: 1.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -2416.342836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.342836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.051592 (E_RNA)
where:
Base-Base interactions energy: -1660.301
where: short stacking energy: -689.666
Base-Backbone interact. energy: 0.915
local terms energy: -759.665211
where:
bonds (distance) C4'-P energy: -154.605
bonds (distance) P-C4' energy: -141.743
flat angles C4'-P-C4' energy: -175.161
flat angles P-C4'-P energy: -92.720
tors. eta vs tors. theta energy: -195.437
Dist. restrs. and SS energy: 2.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -2219.259626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.259626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.835768 (E_RNA)
where:
Base-Base interactions energy: -1497.044
where: short stacking energy: -635.998
Base-Backbone interact. energy: -1.144
local terms energy: -724.647530
where:
bonds (distance) C4'-P energy: -155.642
bonds (distance) P-C4' energy: -142.308
flat angles C4'-P-C4' energy: -147.032
flat angles P-C4'-P energy: -103.807
tors. eta vs tors. theta energy: -175.859
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: 7, replica: 1
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -2090.266019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.266019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.979617 (E_RNA)
where:
Base-Base interactions energy: -1412.381
where: short stacking energy: -619.437
Base-Backbone interact. energy: -2.284
local terms energy: -679.314850
where:
bonds (distance) C4'-P energy: -140.259
bonds (distance) P-C4' energy: -129.585
flat angles C4'-P-C4' energy: -145.488
flat angles P-C4'-P energy: -86.057
tors. eta vs tors. theta energy: -177.925
Dist. restrs. and SS energy: 3.714 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -2036.894384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.894384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.990418 (E_RNA)
where:
Base-Base interactions energy: -1357.214
where: short stacking energy: -582.913
Base-Backbone interact. energy: -0.992
local terms energy: -680.783551
where:
bonds (distance) C4'-P energy: -137.123
bonds (distance) P-C4' energy: -143.685
flat angles C4'-P-C4' energy: -143.848
flat angles P-C4'-P energy: -100.912
tors. eta vs tors. theta energy: -155.215
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: 9, replica: 2
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -1935.609293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.609293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.450414 (E_RNA)
where:
Base-Base interactions energy: -1337.907
where: short stacking energy: -572.847
Base-Backbone interact. energy: 14.930
local terms energy: -617.472609
where:
bonds (distance) C4'-P energy: -125.720
bonds (distance) P-C4' energy: -128.056
flat angles C4'-P-C4' energy: -141.982
flat angles P-C4'-P energy: -78.250
tors. eta vs tors. theta energy: -143.464
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: 10, replica: 10
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -1848.635876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.635876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.978598 (E_RNA)
where:
Base-Base interactions energy: -1263.791
where: short stacking energy: -554.369
Base-Backbone interact. energy: -1.913
local terms energy: -589.274401
where:
bonds (distance) C4'-P energy: -109.925
bonds (distance) P-C4' energy: -117.123
flat angles C4'-P-C4' energy: -141.774
flat angles P-C4'-P energy: -88.268
tors. eta vs tors. theta energy: -132.185
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: 1, replica: 9
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -2957.452030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2957.452030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2959.116250 (E_RNA)
where:
Base-Base interactions energy: -2031.535
where: short stacking energy: -881.610
Base-Backbone interact. energy: 0.859
local terms energy: -928.440450
where:
bonds (distance) C4'-P energy: -159.095
bonds (distance) P-C4' energy: -176.994
flat angles C4'-P-C4' energy: -194.927
flat angles P-C4'-P energy: -133.340
tors. eta vs tors. theta energy: -264.083
Dist. restrs. and SS energy: 1.664 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -2846.702083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2846.702083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2847.707730 (E_RNA)
where:
Base-Base interactions energy: -1993.507
where: short stacking energy: -842.678
Base-Backbone interact. energy: 1.154
local terms energy: -855.354888
where:
bonds (distance) C4'-P energy: -159.593
bonds (distance) P-C4' energy: -151.357
flat angles C4'-P-C4' energy: -183.318
flat angles P-C4'-P energy: -115.343
tors. eta vs tors. theta energy: -245.744
Dist. restrs. and SS energy: 1.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -2731.644683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2731.644683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.272371 (E_RNA)
where:
Base-Base interactions energy: -1907.293
where: short stacking energy: -777.884
Base-Backbone interact. energy: -0.659
local terms energy: -826.321025
where:
bonds (distance) C4'-P energy: -151.615
bonds (distance) P-C4' energy: -155.181
flat angles C4'-P-C4' energy: -186.852
flat angles P-C4'-P energy: -117.684
tors. eta vs tors. theta energy: -214.989
Dist. restrs. and SS energy: 2.628 (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: 5
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -2517.949361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.949361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.359029 (E_RNA)
where:
Base-Base interactions energy: -1762.695
where: short stacking energy: -716.394
Base-Backbone interact. energy: 0.232
local terms energy: -756.896045
where:
bonds (distance) C4'-P energy: -142.894
bonds (distance) P-C4' energy: -147.792
flat angles C4'-P-C4' energy: -174.538
flat angles P-C4'-P energy: -93.805
tors. eta vs tors. theta energy: -197.867
Dist. restrs. and SS energy: 1.410 (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: 8
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -2360.553015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.553015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.049035 (E_RNA)
where:
Base-Base interactions energy: -1616.001
where: short stacking energy: -693.088
Base-Backbone interact. energy: -1.689
local terms energy: -746.359061
where:
bonds (distance) C4'-P energy: -138.002
bonds (distance) P-C4' energy: -145.663
flat angles C4'-P-C4' energy: -161.364
flat angles P-C4'-P energy: -110.270
tors. eta vs tors. theta energy: -191.060
Dist. restrs. and SS energy: 3.496 (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: 6
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -2215.324006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.324006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.784667 (E_RNA)
where:
Base-Base interactions energy: -1484.732
where: short stacking energy: -652.220
Base-Backbone interact. energy: -0.379
local terms energy: -731.674197
where:
bonds (distance) C4'-P energy: -157.695
bonds (distance) P-C4' energy: -135.819
flat angles C4'-P-C4' energy: -158.437
flat angles P-C4'-P energy: -105.523
tors. eta vs tors. theta energy: -174.201
Dist. restrs. and SS energy: 1.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -2125.753601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.753601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.293845 (E_RNA)
where:
Base-Base interactions energy: -1430.373
where: short stacking energy: -636.484
Base-Backbone interact. energy: -3.789
local terms energy: -694.132001
where:
bonds (distance) C4'-P energy: -123.488
bonds (distance) P-C4' energy: -132.989
flat angles C4'-P-C4' energy: -162.315
flat angles P-C4'-P energy: -97.190
tors. eta vs tors. theta energy: -178.150
Dist. restrs. and SS energy: 2.540 (S_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: 343
Temperature: 1.250000
Total energy: -1997.657801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.657801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.132078 (E_RNA)
where:
Base-Base interactions energy: -1354.577
where: short stacking energy: -561.705
Base-Backbone interact. energy: -1.387
local terms energy: -643.168314
where:
bonds (distance) C4'-P energy: -141.428
bonds (distance) P-C4' energy: -132.463
flat angles C4'-P-C4' energy: -137.281
flat angles P-C4'-P energy: -92.528
tors. eta vs tors. theta energy: -139.470
Dist. restrs. and SS energy: 1.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -1907.530734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.530734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.083831 (E_RNA)
where:
Base-Base interactions energy: -1320.697
where: short stacking energy: -564.300
Base-Backbone interact. energy: 7.092
local terms energy: -597.478778
where:
bonds (distance) C4'-P energy: -129.354
bonds (distance) P-C4' energy: -120.818
flat angles C4'-P-C4' energy: -124.430
flat angles P-C4'-P energy: -72.729
tors. eta vs tors. theta energy: -150.148
Dist. restrs. and SS energy: 3.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -1844.095586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.095586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.049067 (E_RNA)
where:
Base-Base interactions energy: -1241.099
where: short stacking energy: -474.688
Base-Backbone interact. energy: 8.717
local terms energy: -613.666972
where:
bonds (distance) C4'-P energy: -132.467
bonds (distance) P-C4' energy: -134.200
flat angles C4'-P-C4' energy: -142.456
flat angles P-C4'-P energy: -91.178
tors. eta vs tors. theta energy: -113.366
Dist. restrs. and SS energy: 1.953 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -2942.095018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2942.095018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2942.898615 (E_RNA)
where:
Base-Base interactions energy: -2030.537
where: short stacking energy: -847.279
Base-Backbone interact. energy: -0.667
local terms energy: -911.694816
where:
bonds (distance) C4'-P energy: -172.983
bonds (distance) P-C4' energy: -172.521
flat angles C4'-P-C4' energy: -187.231
flat angles P-C4'-P energy: -123.150
tors. eta vs tors. theta energy: -255.810
Dist. restrs. and SS energy: 0.804 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -2845.453029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2845.453029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2846.901083 (E_RNA)
where:
Base-Base interactions energy: -1968.020
where: short stacking energy: -824.314
Base-Backbone interact. energy: -5.987
local terms energy: -872.893519
where:
bonds (distance) C4'-P energy: -160.644
bonds (distance) P-C4' energy: -167.704
flat angles C4'-P-C4' energy: -182.694
flat angles P-C4'-P energy: -129.090
tors. eta vs tors. theta energy: -232.763
Dist. restrs. and SS energy: 1.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -2777.290656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.290656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2780.484443 (E_RNA)
where:
Base-Base interactions energy: -1927.660
where: short stacking energy: -773.294
Base-Backbone interact. energy: -5.203
local terms energy: -847.621044
where:
bonds (distance) C4'-P energy: -155.341
bonds (distance) P-C4' energy: -152.203
flat angles C4'-P-C4' energy: -172.564
flat angles P-C4'-P energy: -135.395
tors. eta vs tors. theta energy: -232.120
Dist. restrs. and SS energy: 3.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -2552.588575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.588575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.259409 (E_RNA)
where:
Base-Base interactions energy: -1742.684
where: short stacking energy: -746.829
Base-Backbone interact. energy: -0.979
local terms energy: -810.596219
where:
bonds (distance) C4'-P energy: -153.780
bonds (distance) P-C4' energy: -142.307
flat angles C4'-P-C4' energy: -192.286
flat angles P-C4'-P energy: -112.881
tors. eta vs tors. theta energy: -209.342
Dist. restrs. and SS energy: 1.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -2368.950909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.950909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.648308 (E_RNA)
where:
Base-Base interactions energy: -1585.706
where: short stacking energy: -693.575
Base-Backbone interact. energy: -1.062
local terms energy: -783.879990
where:
bonds (distance) C4'-P energy: -134.329
bonds (distance) P-C4' energy: -166.401
flat angles C4'-P-C4' energy: -182.468
flat angles P-C4'-P energy: -102.000
tors. eta vs tors. theta energy: -198.682
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: 6
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -2196.969391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.969391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.665024 (E_RNA)
where:
Base-Base interactions energy: -1465.508
where: short stacking energy: -658.582
Base-Backbone interact. energy: -0.113
local terms energy: -734.043977
where:
bonds (distance) C4'-P energy: -140.945
bonds (distance) P-C4' energy: -144.145
flat angles C4'-P-C4' energy: -155.580
flat angles P-C4'-P energy: -103.294
tors. eta vs tors. theta energy: -190.080
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: 7, replica: 1
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -2113.192786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.192786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.951009 (E_RNA)
where:
Base-Base interactions energy: -1415.197
where: short stacking energy: -616.982
Base-Backbone interact. energy: -0.974
local terms energy: -698.779564
where:
bonds (distance) C4'-P energy: -145.131
bonds (distance) P-C4' energy: -137.444
flat angles C4'-P-C4' energy: -177.055
flat angles P-C4'-P energy: -84.450
tors. eta vs tors. theta energy: -154.699
Dist. restrs. and SS energy: 1.758 (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: 3
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -2060.609356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.609356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.001074 (E_RNA)
where:
Base-Base interactions energy: -1367.958
where: short stacking energy: -580.125
Base-Backbone interact. energy: 1.216
local terms energy: -696.259175
where:
bonds (distance) C4'-P energy: -140.368
bonds (distance) P-C4' energy: -148.537
flat angles C4'-P-C4' energy: -157.446
flat angles P-C4'-P energy: -94.084
tors. eta vs tors. theta energy: -155.825
Dist. restrs. and SS energy: 2.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -1899.822364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.822364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.096710 (E_RNA)
where:
Base-Base interactions energy: -1303.031
where: short stacking energy: -546.448
Base-Backbone interact. energy: -2.821
local terms energy: -597.244908
where:
bonds (distance) C4'-P energy: -126.244
bonds (distance) P-C4' energy: -127.505
flat angles C4'-P-C4' energy: -125.480
flat angles P-C4'-P energy: -89.490
tors. eta vs tors. theta energy: -128.525
Dist. restrs. and SS energy: 3.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -1868.256896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.256896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.831997 (E_RNA)
where:
Base-Base interactions energy: -1261.434
where: short stacking energy: -530.607
Base-Backbone interact. energy: -0.029
local terms energy: -609.369511
where:
bonds (distance) C4'-P energy: -113.714
bonds (distance) P-C4' energy: -139.806
flat angles C4'-P-C4' energy: -141.500
flat angles P-C4'-P energy: -89.294
tors. eta vs tors. theta energy: -125.055
Dist. restrs. and SS energy: 2.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -2903.456587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2903.456587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2904.989469 (E_RNA)
where:
Base-Base interactions energy: -2009.874
where: short stacking energy: -831.789
Base-Backbone interact. energy: 1.813
local terms energy: -896.927689
where:
bonds (distance) C4'-P energy: -168.688
bonds (distance) P-C4' energy: -165.650
flat angles C4'-P-C4' energy: -183.858
flat angles P-C4'-P energy: -125.975
tors. eta vs tors. theta energy: -252.757
Dist. restrs. and SS energy: 1.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -2847.373151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2847.373151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2848.788435 (E_RNA)
where:
Base-Base interactions energy: -1969.292
where: short stacking energy: -823.912
Base-Backbone interact. energy: -3.000
local terms energy: -876.497018
where:
bonds (distance) C4'-P energy: -163.306
bonds (distance) P-C4' energy: -146.814
flat angles C4'-P-C4' energy: -183.332
flat angles P-C4'-P energy: -132.628
tors. eta vs tors. theta energy: -250.417
Dist. restrs. and SS energy: 1.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -2774.725601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.725601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.447823 (E_RNA)
where:
Base-Base interactions energy: -1939.130
where: short stacking energy: -793.578
Base-Backbone interact. energy: -0.283
local terms energy: -838.034964
where:
bonds (distance) C4'-P energy: -147.204
bonds (distance) P-C4' energy: -158.955
flat angles C4'-P-C4' energy: -176.923
flat angles P-C4'-P energy: -121.796
tors. eta vs tors. theta energy: -233.157
Dist. restrs. and SS energy: 2.722 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -2545.862412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.862412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.793938 (E_RNA)
where:
Base-Base interactions energy: -1724.418
where: short stacking energy: -745.322
Base-Backbone interact. energy: -2.717
local terms energy: -820.658384
where:
bonds (distance) C4'-P energy: -136.582
bonds (distance) P-C4' energy: -171.751
flat angles C4'-P-C4' energy: -174.924
flat angles P-C4'-P energy: -125.732
tors. eta vs tors. theta energy: -211.670
Dist. restrs. and SS energy: 1.932 (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: 8
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -2323.576677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.576677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.949334 (E_RNA)
where:
Base-Base interactions energy: -1594.177
where: short stacking energy: -693.075
Base-Backbone interact. energy: -2.842
local terms energy: -727.929962
where:
bonds (distance) C4'-P energy: -134.843
bonds (distance) P-C4' energy: -129.232
flat angles C4'-P-C4' energy: -165.343
flat angles P-C4'-P energy: -111.734
tors. eta vs tors. theta energy: -186.778
Dist. restrs. and SS energy: 1.373 (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: 6
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -2207.150292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.150292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.537639 (E_RNA)
where:
Base-Base interactions energy: -1464.690
where: short stacking energy: -637.654
Base-Backbone interact. energy: -2.710
local terms energy: -741.137514
where:
bonds (distance) C4'-P energy: -148.232
bonds (distance) P-C4' energy: -147.425
flat angles C4'-P-C4' energy: -168.647
flat angles P-C4'-P energy: -99.391
tors. eta vs tors. theta energy: -177.443
Dist. restrs. and SS energy: 1.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -2047.692499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.692499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.144337 (E_RNA)
where:
Base-Base interactions energy: -1389.599
where: short stacking energy: -584.061
Base-Backbone interact. energy: 3.887
local terms energy: -664.432510
where:
bonds (distance) C4'-P energy: -144.003
bonds (distance) P-C4' energy: -117.119
flat angles C4'-P-C4' energy: -156.290
flat angles P-C4'-P energy: -96.479
tors. eta vs tors. theta energy: -150.542
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: 2
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -1997.960231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.960231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.209951 (E_RNA)
where:
Base-Base interactions energy: -1362.700
where: short stacking energy: -580.758
Base-Backbone interact. energy: 1.719
local terms energy: -640.228825
where:
bonds (distance) C4'-P energy: -117.967
bonds (distance) P-C4' energy: -151.343
flat angles C4'-P-C4' energy: -139.465
flat angles P-C4'-P energy: -84.864
tors. eta vs tors. theta energy: -146.590
Dist. restrs. and SS energy: 3.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -1920.834356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.834356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.588747 (E_RNA)
where:
Base-Base interactions energy: -1318.764
where: short stacking energy: -560.574
Base-Backbone interact. energy: -0.558
local terms energy: -604.266426
where:
bonds (distance) C4'-P energy: -109.947
bonds (distance) P-C4' energy: -124.908
flat angles C4'-P-C4' energy: -143.828
flat angles P-C4'-P energy: -87.990
tors. eta vs tors. theta energy: -137.593
Dist. restrs. and SS energy: 2.754 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -1822.094050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.094050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.023593 (E_RNA)
where:
Base-Base interactions energy: -1256.687
where: short stacking energy: -528.927
Base-Backbone interact. energy: 4.295
local terms energy: -573.630944
where:
bonds (distance) C4'-P energy: -123.086
bonds (distance) P-C4' energy: -129.070
flat angles C4'-P-C4' energy: -135.072
flat angles P-C4'-P energy: -71.378
tors. eta vs tors. theta energy: -115.025
Dist. restrs. and SS energy: 3.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -2864.595289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2864.595289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2866.517281 (E_RNA)
where:
Base-Base interactions energy: -1982.148
where: short stacking energy: -839.838
Base-Backbone interact. energy: -1.907
local terms energy: -882.462715
where:
bonds (distance) C4'-P energy: -169.831
bonds (distance) P-C4' energy: -160.017
flat angles C4'-P-C4' energy: -181.407
flat angles P-C4'-P energy: -107.641
tors. eta vs tors. theta energy: -263.567
Dist. restrs. and SS energy: 1.922 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -2871.461939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2871.461939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2873.308798 (E_RNA)
where:
Base-Base interactions energy: -2005.625
where: short stacking energy: -851.042
Base-Backbone interact. energy: -3.026
local terms energy: -864.657242
where:
bonds (distance) C4'-P energy: -155.972
bonds (distance) P-C4' energy: -146.732
flat angles C4'-P-C4' energy: -187.854
flat angles P-C4'-P energy: -129.458
tors. eta vs tors. theta energy: -244.641
Dist. restrs. and SS energy: 1.847 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -2759.821793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.821793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.767212 (E_RNA)
where:
Base-Base interactions energy: -1931.474
where: short stacking energy: -808.334
Base-Backbone interact. energy: 0.651
local terms energy: -830.944694
where:
bonds (distance) C4'-P energy: -149.139
bonds (distance) P-C4' energy: -159.162
flat angles C4'-P-C4' energy: -176.215
flat angles P-C4'-P energy: -113.482
tors. eta vs tors. theta energy: -232.947
Dist. restrs. and SS energy: 1.945 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -2526.226531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.226531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.009955 (E_RNA)
where:
Base-Base interactions energy: -1721.127
where: short stacking energy: -720.400
Base-Backbone interact. energy: 4.146
local terms energy: -813.028881
where:
bonds (distance) C4'-P energy: -157.905
bonds (distance) P-C4' energy: -152.738
flat angles C4'-P-C4' energy: -186.282
flat angles P-C4'-P energy: -106.156
tors. eta vs tors. theta energy: -209.948
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: 8
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -2356.544247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.544247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.798683 (E_RNA)
where:
Base-Base interactions energy: -1593.782
where: short stacking energy: -693.578
Base-Backbone interact. energy: 3.307
local terms energy: -767.323462
where:
bonds (distance) C4'-P energy: -146.092
bonds (distance) P-C4' energy: -150.405
flat angles C4'-P-C4' energy: -163.615
flat angles P-C4'-P energy: -105.897
tors. eta vs tors. theta energy: -201.315
Dist. restrs. and SS energy: 1.254 (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: 6
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -2185.685340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.685340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.943981 (E_RNA)
where:
Base-Base interactions energy: -1480.426
where: short stacking energy: -643.067
Base-Backbone interact. energy: -0.509
local terms energy: -708.008788
where:
bonds (distance) C4'-P energy: -111.174
bonds (distance) P-C4' energy: -143.291
flat angles C4'-P-C4' energy: -160.074
flat angles P-C4'-P energy: -112.175
tors. eta vs tors. theta energy: -181.294
Dist. restrs. and SS energy: 3.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -2104.489038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.489038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.145644 (E_RNA)
where:
Base-Base interactions energy: -1415.786
where: short stacking energy: -606.371
Base-Backbone interact. energy: 5.928
local terms energy: -697.288162
where:
bonds (distance) C4'-P energy: -137.367
bonds (distance) P-C4' energy: -141.086
flat angles C4'-P-C4' energy: -151.434
flat angles P-C4'-P energy: -110.045
tors. eta vs tors. theta energy: -157.356
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: 8, replica: 1
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -2005.305912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.305912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.487250 (E_RNA)
where:
Base-Base interactions energy: -1352.445
where: short stacking energy: -581.221
Base-Backbone interact. energy: -0.811
local terms energy: -655.231365
where:
bonds (distance) C4'-P energy: -114.983
bonds (distance) P-C4' energy: -154.980
flat angles C4'-P-C4' energy: -153.405
flat angles P-C4'-P energy: -69.268
tors. eta vs tors. theta energy: -162.594
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: 9, replica: 10
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -1872.666058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.666058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.874360 (E_RNA)
where:
Base-Base interactions energy: -1251.181
where: short stacking energy: -512.225
Base-Backbone interact. energy: -1.059
local terms energy: -623.633795
where:
bonds (distance) C4'-P energy: -122.208
bonds (distance) P-C4' energy: -134.178
flat angles C4'-P-C4' energy: -131.896
flat angles P-C4'-P energy: -99.739
tors. eta vs tors. theta energy: -135.612
Dist. restrs. and SS energy: 3.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -1783.590837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.590837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.064510 (E_RNA)
where:
Base-Base interactions energy: -1217.452
where: short stacking energy: -484.826
Base-Backbone interact. energy: 5.116
local terms energy: -578.727863
where:
bonds (distance) C4'-P energy: -115.484
bonds (distance) P-C4' energy: -138.129
flat angles C4'-P-C4' energy: -142.934
flat angles P-C4'-P energy: -70.018
tors. eta vs tors. theta energy: -112.162
Dist. restrs. and SS energy: 7.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -2871.921493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2871.921493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2873.317047 (E_RNA)
where:
Base-Base interactions energy: -2015.164
where: short stacking energy: -845.812
Base-Backbone interact. energy: -0.750
local terms energy: -857.403629
where:
bonds (distance) C4'-P energy: -153.942
bonds (distance) P-C4' energy: -158.692
flat angles C4'-P-C4' energy: -175.580
flat angles P-C4'-P energy: -120.897
tors. eta vs tors. theta energy: -248.293
Dist. restrs. and SS energy: 1.396 (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: 9
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -2897.502062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2897.502062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2898.671714 (E_RNA)
where:
Base-Base interactions energy: -2025.697
where: short stacking energy: -853.850
Base-Backbone interact. energy: 2.884
local terms energy: -875.858312
where:
bonds (distance) C4'-P energy: -142.263
bonds (distance) P-C4' energy: -166.540
flat angles C4'-P-C4' energy: -184.218
flat angles P-C4'-P energy: -122.859
tors. eta vs tors. theta energy: -259.979
Dist. restrs. and SS energy: 1.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -2784.888013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.888013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.829715 (E_RNA)
where:
Base-Base interactions energy: -1951.503
where: short stacking energy: -794.953
Base-Backbone interact. energy: -0.346
local terms energy: -835.980727
where:
bonds (distance) C4'-P energy: -132.654
bonds (distance) P-C4' energy: -158.800
flat angles C4'-P-C4' energy: -178.780
flat angles P-C4'-P energy: -127.032
tors. eta vs tors. theta energy: -238.715
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: 4, replica: 5
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -2547.588499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.588499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.291850 (E_RNA)
where:
Base-Base interactions energy: -1719.474
where: short stacking energy: -736.319
Base-Backbone interact. energy: -3.585
local terms energy: -827.232327
where:
bonds (distance) C4'-P energy: -163.604
bonds (distance) P-C4' energy: -136.439
flat angles C4'-P-C4' energy: -193.223
flat angles P-C4'-P energy: -110.311
tors. eta vs tors. theta energy: -223.654
Dist. restrs. and SS energy: 2.703 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -2371.738308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.738308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.240892 (E_RNA)
where:
Base-Base interactions energy: -1593.908
where: short stacking energy: -697.906
Base-Backbone interact. energy: -0.650
local terms energy: -779.682575
where:
bonds (distance) C4'-P energy: -136.185
bonds (distance) P-C4' energy: -164.129
flat angles C4'-P-C4' energy: -170.211
flat angles P-C4'-P energy: -107.301
tors. eta vs tors. theta energy: -201.857
Dist. restrs. and SS energy: 2.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -2150.538361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.538361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.572871 (E_RNA)
where:
Base-Base interactions energy: -1425.821
where: short stacking energy: -616.550
Base-Backbone interact. energy: 6.414
local terms energy: -735.165864
where:
bonds (distance) C4'-P energy: -144.133
bonds (distance) P-C4' energy: -142.337
flat angles C4'-P-C4' energy: -157.287
flat angles P-C4'-P energy: -118.211
tors. eta vs tors. theta energy: -173.198
Dist. restrs. and SS energy: 4.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -2086.091759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.091759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.682569 (E_RNA)
where:
Base-Base interactions energy: -1400.002
where: short stacking energy: -616.852
Base-Backbone interact. energy: 1.609
local terms energy: -690.289174
where:
bonds (distance) C4'-P energy: -133.484
bonds (distance) P-C4' energy: -132.167
flat angles C4'-P-C4' energy: -152.803
flat angles P-C4'-P energy: -101.324
tors. eta vs tors. theta energy: -170.512
Dist. restrs. and SS energy: 2.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -2018.008109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.008109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.936957 (E_RNA)
where:
Base-Base interactions energy: -1358.203
where: short stacking energy: -571.134
Base-Backbone interact. energy: -2.095
local terms energy: -659.638548
where:
bonds (distance) C4'-P energy: -110.854
bonds (distance) P-C4' energy: -127.655
flat angles C4'-P-C4' energy: -156.049
flat angles P-C4'-P energy: -109.530
tors. eta vs tors. theta energy: -155.551
Dist. restrs. and SS energy: 1.929 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -1967.209837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.209837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.800335 (E_RNA)
where:
Base-Base interactions energy: -1318.727
where: short stacking energy: -533.744
Base-Backbone interact. energy: -1.466
local terms energy: -650.607642
where:
bonds (distance) C4'-P energy: -124.904
bonds (distance) P-C4' energy: -149.225
flat angles C4'-P-C4' energy: -135.399
flat angles P-C4'-P energy: -91.681
tors. eta vs tors. theta energy: -149.397
Dist. restrs. and SS energy: 3.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -1815.536131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.536131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.902546 (E_RNA)
where:
Base-Base interactions energy: -1243.444
where: short stacking energy: -529.309
Base-Backbone interact. energy: 0.846
local terms energy: -577.304450
where:
bonds (distance) C4'-P energy: -118.485
bonds (distance) P-C4' energy: -92.715
flat angles C4'-P-C4' energy: -152.407
flat angles P-C4'-P energy: -96.256
tors. eta vs tors. theta energy: -117.442
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: 1, replica: 7
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -2888.036147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2888.036147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2889.884256 (E_RNA)
where:
Base-Base interactions energy: -2007.213
where: short stacking energy: -852.331
Base-Backbone interact. energy: -4.928
local terms energy: -877.743228
where:
bonds (distance) C4'-P energy: -143.749
bonds (distance) P-C4' energy: -164.665
flat angles C4'-P-C4' energy: -187.592
flat angles P-C4'-P energy: -122.239
tors. eta vs tors. theta energy: -259.499
Dist. restrs. and SS energy: 1.848 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -2872.845388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2872.845388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2874.661211 (E_RNA)
where:
Base-Base interactions energy: -1996.247
where: short stacking energy: -845.345
Base-Backbone interact. energy: -4.525
local terms energy: -873.888320
where:
bonds (distance) C4'-P energy: -168.252
bonds (distance) P-C4' energy: -164.261
flat angles C4'-P-C4' energy: -181.152
flat angles P-C4'-P energy: -107.340
tors. eta vs tors. theta energy: -252.884
Dist. restrs. and SS energy: 1.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -2784.916711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.916711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.967076 (E_RNA)
where:
Base-Base interactions energy: -1943.345
where: short stacking energy: -781.428
Base-Backbone interact. energy: -0.418
local terms energy: -845.204376
where:
bonds (distance) C4'-P energy: -156.667
bonds (distance) P-C4' energy: -146.540
flat angles C4'-P-C4' energy: -200.588
flat angles P-C4'-P energy: -124.157
tors. eta vs tors. theta energy: -217.252
Dist. restrs. and SS energy: 4.050 (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: 5
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -2567.847076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.847076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.237036 (E_RNA)
where:
Base-Base interactions energy: -1780.737
where: short stacking energy: -761.063
Base-Backbone interact. energy: -2.890
local terms energy: -786.609709
where:
bonds (distance) C4'-P energy: -115.065
bonds (distance) P-C4' energy: -164.392
flat angles C4'-P-C4' energy: -184.149
flat angles P-C4'-P energy: -106.268
tors. eta vs tors. theta energy: -216.735
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: 8
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -2369.222502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.222502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.372791 (E_RNA)
where:
Base-Base interactions energy: -1596.128
where: short stacking energy: -692.597
Base-Backbone interact. energy: 2.945
local terms energy: -778.189667
where:
bonds (distance) C4'-P energy: -148.884
bonds (distance) P-C4' energy: -156.066
flat angles C4'-P-C4' energy: -159.796
flat angles P-C4'-P energy: -114.329
tors. eta vs tors. theta energy: -199.114
Dist. restrs. and SS energy: 2.150 (S_DIST_RNA)
chem. 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: -2217.387358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.387358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.529444 (E_RNA)
where:
Base-Base interactions energy: -1496.057
where: short stacking energy: -662.856
Base-Backbone interact. energy: 0.688
local terms energy: -724.160118
where:
bonds (distance) C4'-P energy: -125.560
bonds (distance) P-C4' energy: -155.574
flat angles C4'-P-C4' energy: -146.014
flat angles P-C4'-P energy: -110.949
tors. eta vs tors. theta energy: -186.064
Dist. restrs. and SS energy: 2.142 (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: 2
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -2059.926853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.926853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.961341 (E_RNA)
where:
Base-Base interactions energy: -1377.666
where: short stacking energy: -597.087
Base-Backbone interact. energy: 5.672
local terms energy: -689.967060
where:
bonds (distance) C4'-P energy: -126.783
bonds (distance) P-C4' energy: -144.236
flat angles C4'-P-C4' energy: -160.948
flat angles P-C4'-P energy: -90.816
tors. eta vs tors. theta energy: -167.184
Dist. restrs. and SS energy: 2.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -1930.089811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.089811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.178916 (E_RNA)
where:
Base-Base interactions energy: -1329.927
where: short stacking energy: -554.056
Base-Backbone interact. energy: -1.145
local terms energy: -602.106776
where:
bonds (distance) C4'-P energy: -104.837
bonds (distance) P-C4' energy: -117.616
flat angles C4'-P-C4' energy: -143.801
flat angles P-C4'-P energy: -101.451
tors. eta vs tors. theta energy: -134.403
Dist. restrs. and SS energy: 3.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -1967.798974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.798974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.084723 (E_RNA)
where:
Base-Base interactions energy: -1303.309
where: short stacking energy: -565.427
Base-Backbone interact. energy: -1.008
local terms energy: -667.767870
where:
bonds (distance) C4'-P energy: -121.375
bonds (distance) P-C4' energy: -150.925
flat angles C4'-P-C4' energy: -155.711
flat angles P-C4'-P energy: -87.636
tors. eta vs tors. theta energy: -152.121
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: 10, replica: 3
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -1892.214646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.214646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.425728 (E_RNA)
where:
Base-Base interactions energy: -1271.345
where: short stacking energy: -538.143
Base-Backbone interact. energy: 2.809
local terms energy: -625.889406
where:
bonds (distance) C4'-P energy: -126.292
bonds (distance) P-C4' energy: -127.921
flat angles C4'-P-C4' energy: -132.764
flat angles P-C4'-P energy: -95.955
tors. eta vs tors. theta energy: -142.957
Dist. restrs. and SS energy: 2.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -2883.697891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2883.697891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2884.835104 (E_RNA)
where:
Base-Base interactions energy: -2026.192
where: short stacking energy: -842.023
Base-Backbone interact. energy: 0.896
local terms energy: -859.539641
where:
bonds (distance) C4'-P energy: -143.421
bonds (distance) P-C4' energy: -141.044
flat angles C4'-P-C4' energy: -187.501
flat angles P-C4'-P energy: -131.195
tors. eta vs tors. theta energy: -256.378
Dist. restrs. and SS energy: 1.137 (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: 9
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -2892.306581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2892.306581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2895.677223 (E_RNA)
where:
Base-Base interactions energy: -2036.590
where: short stacking energy: -849.422
Base-Backbone interact. energy: -1.629
local terms energy: -857.457523
where:
bonds (distance) C4'-P energy: -138.897
bonds (distance) P-C4' energy: -144.039
flat angles C4'-P-C4' energy: -188.680
flat angles P-C4'-P energy: -126.584
tors. eta vs tors. theta energy: -259.258
Dist. restrs. and SS energy: 3.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -2782.229049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.229049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2785.829018 (E_RNA)
where:
Base-Base interactions energy: -1934.194
where: short stacking energy: -799.984
Base-Backbone interact. energy: -3.167
local terms energy: -848.467983
where:
bonds (distance) C4'-P energy: -150.173
bonds (distance) P-C4' energy: -158.973
flat angles C4'-P-C4' energy: -185.412
flat angles P-C4'-P energy: -116.559
tors. eta vs tors. theta energy: -237.350
Dist. restrs. and SS energy: 3.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -2524.307646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.307646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.829438 (E_RNA)
where:
Base-Base interactions energy: -1745.700
where: short stacking energy: -736.183
Base-Backbone interact. energy: -0.823
local terms energy: -779.306206
where:
bonds (distance) C4'-P energy: -139.982
bonds (distance) P-C4' energy: -149.074
flat angles C4'-P-C4' energy: -179.126
flat angles P-C4'-P energy: -114.752
tors. eta vs tors. theta energy: -196.373
Dist. restrs. and SS energy: 1.522 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -2408.730483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.730483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.041437 (E_RNA)
where:
Base-Base interactions energy: -1655.380
where: short stacking energy: -710.987
Base-Backbone interact. energy: -0.408
local terms energy: -755.253486
where:
bonds (distance) C4'-P energy: -142.833
bonds (distance) P-C4' energy: -152.127
flat angles C4'-P-C4' energy: -158.879
flat angles P-C4'-P energy: -109.279
tors. eta vs tors. theta energy: -192.135
Dist. restrs. and SS energy: 2.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -2263.361771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.361771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.214622 (E_RNA)
where:
Base-Base interactions energy: -1557.214
where: short stacking energy: -673.997
Base-Backbone interact. energy: 4.946
local terms energy: -712.947243
where:
bonds (distance) C4'-P energy: -131.190
bonds (distance) P-C4' energy: -150.182
flat angles C4'-P-C4' energy: -167.823
flat angles P-C4'-P energy: -85.480
tors. eta vs tors. theta energy: -178.271
Dist. restrs. and SS energy: 1.853 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -2109.906789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.906789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.748790 (E_RNA)
where:
Base-Base interactions energy: -1422.686
where: short stacking energy: -600.222
Base-Backbone interact. energy: 0.572
local terms energy: -690.634035
where:
bonds (distance) C4'-P energy: -139.306
bonds (distance) P-C4' energy: -134.073
flat angles C4'-P-C4' energy: -147.721
flat angles P-C4'-P energy: -95.144
tors. eta vs tors. theta energy: -174.390
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: 8, replica: 10
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -2051.506192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.506192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.039426 (E_RNA)
where:
Base-Base interactions energy: -1392.332
where: short stacking energy: -577.935
Base-Backbone interact. energy: -0.835
local terms energy: -661.872909
where:
bonds (distance) C4'-P energy: -132.085
bonds (distance) P-C4' energy: -125.526
flat angles C4'-P-C4' energy: -146.975
flat angles P-C4'-P energy: -96.046
tors. eta vs tors. theta energy: -161.242
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: 9, replica: 1
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -1957.007199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.007199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.565508 (E_RNA)
where:
Base-Base interactions energy: -1321.180
where: short stacking energy: -574.434
Base-Backbone interact. energy: 0.036
local terms energy: -638.421905
where:
bonds (distance) C4'-P energy: -124.580
bonds (distance) P-C4' energy: -129.663
flat angles C4'-P-C4' energy: -143.816
flat angles P-C4'-P energy: -85.449
tors. eta vs tors. theta energy: -154.915
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: 10, replica: 3
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -1852.523181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.523181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.160468 (E_RNA)
where:
Base-Base interactions energy: -1250.026
where: short stacking energy: -519.548
Base-Backbone interact. energy: -3.191
local terms energy: -601.942910
where:
bonds (distance) C4'-P energy: -103.868
bonds (distance) P-C4' energy: -120.574
flat angles C4'-P-C4' energy: -145.933
flat angles P-C4'-P energy: -101.175
tors. eta vs tors. theta energy: -130.393
Dist. restrs. and SS energy: 2.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -2952.448781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2952.448781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2954.405123 (E_RNA)
where:
Base-Base interactions energy: -2066.632
where: short stacking energy: -869.065
Base-Backbone interact. energy: 1.648
local terms energy: -889.421135
where:
bonds (distance) C4'-P energy: -163.291
bonds (distance) P-C4' energy: -158.020
flat angles C4'-P-C4' energy: -192.364
flat angles P-C4'-P energy: -116.286
tors. eta vs tors. theta energy: -259.460
Dist. restrs. and SS energy: 1.956 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -2856.055982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2856.055982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2857.515510 (E_RNA)
where:
Base-Base interactions energy: -1988.603
where: short stacking energy: -823.642
Base-Backbone interact. energy: -2.843
local terms energy: -866.070118
where:
bonds (distance) C4'-P energy: -160.040
bonds (distance) P-C4' energy: -153.921
flat angles C4'-P-C4' energy: -180.429
flat angles P-C4'-P energy: -117.802
tors. eta vs tors. theta energy: -253.878
Dist. restrs. and SS energy: 1.460 (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: 4
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -2784.971530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.971530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.137903 (E_RNA)
where:
Base-Base interactions energy: -1973.138
where: short stacking energy: -809.925
Base-Backbone interact. energy: -2.405
local terms energy: -812.595217
where:
bonds (distance) C4'-P energy: -140.064
bonds (distance) P-C4' energy: -151.890
flat angles C4'-P-C4' energy: -179.252
flat angles P-C4'-P energy: -108.665
tors. eta vs tors. theta energy: -232.723
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: 4, replica: 5
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -2535.797768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.797768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.174030 (E_RNA)
where:
Base-Base interactions energy: -1727.949
where: short stacking energy: -747.136
Base-Backbone interact. energy: -2.839
local terms energy: -806.386665
where:
bonds (distance) C4'-P energy: -146.716
bonds (distance) P-C4' energy: -159.930
flat angles C4'-P-C4' energy: -175.417
flat angles P-C4'-P energy: -114.258
tors. eta vs tors. theta energy: -210.065
Dist. restrs. and SS energy: 1.376 (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: 8
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -2405.517538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.517538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.399545 (E_RNA)
where:
Base-Base interactions energy: -1632.628
where: short stacking energy: -696.022
Base-Backbone interact. energy: -1.995
local terms energy: -772.776829
where:
bonds (distance) C4'-P energy: -158.049
bonds (distance) P-C4' energy: -139.648
flat angles C4'-P-C4' energy: -166.199
flat angles P-C4'-P energy: -103.321
tors. eta vs tors. theta energy: -205.560
Dist. restrs. and SS energy: 1.882 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -2168.721326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.721326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.594623 (E_RNA)
where:
Base-Base interactions energy: -1468.366
where: short stacking energy: -630.891
Base-Backbone interact. energy: -3.928
local terms energy: -699.299928
where:
bonds (distance) C4'-P energy: -111.243
bonds (distance) P-C4' energy: -140.349
flat angles C4'-P-C4' energy: -157.625
flat angles P-C4'-P energy: -122.149
tors. eta vs tors. theta energy: -167.934
Dist. restrs. and SS energy: 2.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -2103.949778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.949778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.341487 (E_RNA)
where:
Base-Base interactions energy: -1414.507
where: short stacking energy: -601.013
Base-Backbone interact. energy: 0.143
local terms energy: -690.977557
where:
bonds (distance) C4'-P energy: -135.706
bonds (distance) P-C4' energy: -123.858
flat angles C4'-P-C4' energy: -161.287
flat angles P-C4'-P energy: -103.553
tors. eta vs tors. theta energy: -166.574
Dist. restrs. and SS energy: 1.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -1966.856387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.856387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.289722 (E_RNA)
where:
Base-Base interactions energy: -1311.915
where: short stacking energy: -540.615
Base-Backbone interact. energy: -2.851
local terms energy: -656.523869
where:
bonds (distance) C4'-P energy: -138.830
bonds (distance) P-C4' energy: -145.437
flat angles C4'-P-C4' energy: -133.963
flat angles P-C4'-P energy: -88.282
tors. eta vs tors. theta energy: -150.011
Dist. restrs. and SS energy: 4.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -1945.768640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.768640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.446230 (E_RNA)
where:
Base-Base interactions energy: -1356.419
where: short stacking energy: -581.423
Base-Backbone interact. energy: -2.168
local terms energy: -589.859176
where:
bonds (distance) C4'-P energy: -116.159
bonds (distance) P-C4' energy: -106.672
flat angles C4'-P-C4' energy: -147.219
flat angles P-C4'-P energy: -83.659
tors. eta vs tors. theta energy: -136.149
Dist. restrs. and SS energy: 2.678 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -1888.455694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.455694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.370626 (E_RNA)
where:
Base-Base interactions energy: -1301.968
where: short stacking energy: -563.482
Base-Backbone interact. energy: -0.991
local terms energy: -588.411926
where:
bonds (distance) C4'-P energy: -98.561
bonds (distance) P-C4' energy: -118.893
flat angles C4'-P-C4' energy: -140.055
flat angles P-C4'-P energy: -81.496
tors. eta vs tors. theta energy: -149.408
Dist. restrs. and SS energy: 2.915 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -2953.292987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2953.292987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2955.074798 (E_RNA)
where:
Base-Base interactions energy: -2069.295
where: short stacking energy: -880.647
Base-Backbone interact. energy: 7.805
local terms energy: -893.585250
where:
bonds (distance) C4'-P energy: -149.082
bonds (distance) P-C4' energy: -164.053
flat angles C4'-P-C4' energy: -184.855
flat angles P-C4'-P energy: -137.645
tors. eta vs tors. theta energy: -257.950
Dist. restrs. and SS energy: 1.782 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -2795.821551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.821551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.829676 (E_RNA)
where:
Base-Base interactions energy: -1952.805
where: short stacking energy: -807.758
Base-Backbone interact. energy: -0.746
local terms energy: -843.278550
where:
bonds (distance) C4'-P energy: -141.102
bonds (distance) P-C4' energy: -178.541
flat angles C4'-P-C4' energy: -177.203
flat angles P-C4'-P energy: -109.679
tors. eta vs tors. theta energy: -236.752
Dist. restrs. and SS energy: 1.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -2767.110737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.110737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2769.793013 (E_RNA)
where:
Base-Base interactions energy: -1914.040
where: short stacking energy: -779.468
Base-Backbone interact. energy: -4.322
local terms energy: -851.431659
where:
bonds (distance) C4'-P energy: -151.025
bonds (distance) P-C4' energy: -166.826
flat angles C4'-P-C4' energy: -173.141
flat angles P-C4'-P energy: -130.261
tors. eta vs tors. theta energy: -230.178
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: 351
Temperature: 1.050000
Total energy: -2551.909063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.909063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.815314 (E_RNA)
where:
Base-Base interactions energy: -1738.050
where: short stacking energy: -771.096
Base-Backbone interact. energy: 0.519
local terms energy: -816.283755
where:
bonds (distance) C4'-P energy: -147.905
bonds (distance) P-C4' energy: -155.154
flat angles C4'-P-C4' energy: -177.039
flat angles P-C4'-P energy: -117.092
tors. eta vs tors. theta energy: -219.094
Dist. restrs. and SS energy: 1.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -2358.070393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.070393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.129475 (E_RNA)
where:
Base-Base interactions energy: -1601.597
where: short stacking energy: -688.493
Base-Backbone interact. energy: -1.917
local terms energy: -757.615294
where:
bonds (distance) C4'-P energy: -129.522
bonds (distance) P-C4' energy: -151.206
flat angles C4'-P-C4' energy: -174.186
flat angles P-C4'-P energy: -105.052
tors. eta vs tors. theta energy: -197.649
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: 6, replica: 6
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -2233.229004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.229004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.323769 (E_RNA)
where:
Base-Base interactions energy: -1513.348
where: short stacking energy: -645.556
Base-Backbone interact. energy: -3.253
local terms energy: -718.722789
where:
bonds (distance) C4'-P energy: -120.789
bonds (distance) P-C4' energy: -156.333
flat angles C4'-P-C4' energy: -157.238
flat angles P-C4'-P energy: -107.739
tors. eta vs tors. theta energy: -176.624
Dist. restrs. and SS energy: 2.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -2129.246055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.246055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.289935 (E_RNA)
where:
Base-Base interactions energy: -1419.763
where: short stacking energy: -624.494
Base-Backbone interact. energy: -1.032
local terms energy: -710.494188
where:
bonds (distance) C4'-P energy: -144.580
bonds (distance) P-C4' energy: -134.135
flat angles C4'-P-C4' energy: -152.566
flat angles P-C4'-P energy: -91.325
tors. eta vs tors. theta energy: -187.888
Dist. restrs. and SS energy: 2.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -1974.941539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.941539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.712557 (E_RNA)
where:
Base-Base interactions energy: -1320.598
where: short stacking energy: -575.223
Base-Backbone interact. energy: -2.499
local terms energy: -654.615786
where:
bonds (distance) C4'-P energy: -114.280
bonds (distance) P-C4' energy: -137.043
flat angles C4'-P-C4' energy: -144.984
flat angles P-C4'-P energy: -102.208
tors. eta vs tors. theta energy: -156.101
Dist. restrs. and SS energy: 2.771 (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: 10
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -1892.834328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.834328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.153314 (E_RNA)
where:
Base-Base interactions energy: -1270.093
where: short stacking energy: -531.545
Base-Backbone interact. energy: -2.883
local terms energy: -627.177713
where:
bonds (distance) C4'-P energy: -137.533
bonds (distance) P-C4' energy: -132.891
flat angles C4'-P-C4' energy: -136.997
flat angles P-C4'-P energy: -73.730
tors. eta vs tors. theta energy: -146.027
Dist. restrs. and SS energy: 7.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -1916.523392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.523392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.140454 (E_RNA)
where:
Base-Base interactions energy: -1314.127
where: short stacking energy: -546.014
Base-Backbone interact. energy: -1.019
local terms energy: -603.994226
where:
bonds (distance) C4'-P energy: -129.249
bonds (distance) P-C4' energy: -137.467
flat angles C4'-P-C4' energy: -130.396
flat angles P-C4'-P energy: -81.927
tors. eta vs tors. theta energy: -124.955
Dist. restrs. and SS energy: 2.617 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -2946.065585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2946.065585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2948.487570 (E_RNA)
where:
Base-Base interactions energy: -2062.955
where: short stacking energy: -883.837
Base-Backbone interact. energy: -0.261
local terms energy: -885.272095
where:
bonds (distance) C4'-P energy: -147.745
bonds (distance) P-C4' energy: -158.662
flat angles C4'-P-C4' energy: -195.121
flat angles P-C4'-P energy: -113.543
tors. eta vs tors. theta energy: -270.201
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: 2, replica: 7
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -2814.167272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.167272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2816.004246 (E_RNA)
where:
Base-Base interactions energy: -1958.974
where: short stacking energy: -813.116
Base-Backbone interact. energy: -1.408
local terms energy: -855.622485
where:
bonds (distance) C4'-P energy: -153.404
bonds (distance) P-C4' energy: -157.982
flat angles C4'-P-C4' energy: -175.909
flat angles P-C4'-P energy: -114.965
tors. eta vs tors. theta energy: -253.362
Dist. restrs. and SS energy: 1.837 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -2803.142462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.142462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.762054 (E_RNA)
where:
Base-Base interactions energy: -1965.426
where: short stacking energy: -783.088
Base-Backbone interact. energy: -4.368
local terms energy: -835.968221
where:
bonds (distance) C4'-P energy: -149.234
bonds (distance) P-C4' energy: -146.386
flat angles C4'-P-C4' energy: -184.028
flat angles P-C4'-P energy: -126.756
tors. eta vs tors. theta energy: -229.564
Dist. restrs. and SS energy: 2.620 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -2617.797108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.797108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.013077 (E_RNA)
where:
Base-Base interactions energy: -1815.468
where: short stacking energy: -797.922
Base-Backbone interact. energy: 1.592
local terms energy: -805.137831
where:
bonds (distance) C4'-P energy: -140.379
bonds (distance) P-C4' energy: -142.466
flat angles C4'-P-C4' energy: -180.161
flat angles P-C4'-P energy: -115.324
tors. eta vs tors. theta energy: -226.808
Dist. restrs. and SS energy: 1.216 (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: 8
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -2375.625727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.625727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.834886 (E_RNA)
where:
Base-Base interactions energy: -1595.264
where: short stacking energy: -681.250
Base-Backbone interact. energy: -1.060
local terms energy: -781.510784
where:
bonds (distance) C4'-P energy: -151.085
bonds (distance) P-C4' energy: -158.473
flat angles C4'-P-C4' energy: -166.220
flat angles P-C4'-P energy: -115.269
tors. eta vs tors. theta energy: -190.464
Dist. restrs. and SS energy: 2.209 (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: 6
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -2268.301704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.301704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.205996 (E_RNA)
where:
Base-Base interactions energy: -1534.163
where: short stacking energy: -661.121
Base-Backbone interact. energy: -2.424
local terms energy: -734.618606
where:
bonds (distance) C4'-P energy: -122.187
bonds (distance) P-C4' energy: -153.593
flat angles C4'-P-C4' energy: -154.115
flat angles P-C4'-P energy: -105.095
tors. eta vs tors. theta energy: -199.629
Dist. restrs. and SS energy: 2.904 (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: 2
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -2068.705774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.705774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.132378 (E_RNA)
where:
Base-Base interactions energy: -1409.739
where: short stacking energy: -599.530
Base-Backbone interact. energy: 3.681
local terms energy: -664.074963
where:
bonds (distance) C4'-P energy: -140.537
bonds (distance) P-C4' energy: -146.019
flat angles C4'-P-C4' energy: -146.254
flat angles P-C4'-P energy: -76.912
tors. eta vs tors. theta energy: -154.353
Dist. restrs. and SS energy: 1.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -1961.147241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.147241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.474998 (E_RNA)
where:
Base-Base interactions energy: -1327.355
where: short stacking energy: -573.268
Base-Backbone interact. energy: -2.497
local terms energy: -638.622969
where:
bonds (distance) C4'-P energy: -121.632
bonds (distance) P-C4' energy: -133.467
flat angles C4'-P-C4' energy: -158.427
flat angles P-C4'-P energy: -85.501
tors. eta vs tors. theta energy: -139.596
Dist. restrs. and SS energy: 7.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -1998.880541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.880541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.542532 (E_RNA)
where:
Base-Base interactions energy: -1357.319
where: short stacking energy: -585.710
Base-Backbone interact. energy: 3.882
local terms energy: -649.105858
where:
bonds (distance) C4'-P energy: -129.895
bonds (distance) P-C4' energy: -119.749
flat angles C4'-P-C4' energy: -150.619
flat angles P-C4'-P energy: -90.339
tors. eta vs tors. theta energy: -158.504
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: 10, replica: 10
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -1799.684684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.684684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.475148 (E_RNA)
where:
Base-Base interactions energy: -1213.366
where: short stacking energy: -512.014
Base-Backbone interact. energy: 1.511
local terms energy: -592.620825
where:
bonds (distance) C4'-P energy: -118.526
bonds (distance) P-C4' energy: -117.149
flat angles C4'-P-C4' energy: -130.984
flat angles P-C4'-P energy: -84.421
tors. eta vs tors. theta energy: -141.540
Dist. restrs. and SS energy: 4.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -2952.542374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2952.542374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2953.715176 (E_RNA)
where:
Base-Base interactions energy: -2066.753
where: short stacking energy: -860.186
Base-Backbone interact. energy: -2.469
local terms energy: -884.493010
where:
bonds (distance) C4'-P energy: -155.090
bonds (distance) P-C4' energy: -155.394
flat angles C4'-P-C4' energy: -183.633
flat angles P-C4'-P energy: -136.932
tors. eta vs tors. theta energy: -253.443
Dist. restrs. and SS energy: 1.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -2841.446002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2841.446002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2843.998645 (E_RNA)
where:
Base-Base interactions energy: -1998.307
where: short stacking energy: -811.871
Base-Backbone interact. energy: -0.978
local terms energy: -844.713731
where:
bonds (distance) C4'-P energy: -162.336
bonds (distance) P-C4' energy: -158.436
flat angles C4'-P-C4' energy: -184.560
flat angles P-C4'-P energy: -113.148
tors. eta vs tors. theta energy: -226.234
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: 3, replica: 7
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -2765.727603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2765.727603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.088151 (E_RNA)
where:
Base-Base interactions energy: -1910.255
where: short stacking energy: -806.952
Base-Backbone interact. energy: 5.144
local terms energy: -861.977388
where:
bonds (distance) C4'-P energy: -145.999
bonds (distance) P-C4' energy: -166.901
flat angles C4'-P-C4' energy: -179.858
flat angles P-C4'-P energy: -130.904
tors. eta vs tors. theta energy: -238.317
Dist. restrs. and SS energy: 1.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -2566.049942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.049942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.713350 (E_RNA)
where:
Base-Base interactions energy: -1798.451
where: short stacking energy: -757.079
Base-Backbone interact. energy: -0.486
local terms energy: -769.776506
where:
bonds (distance) C4'-P energy: -134.211
bonds (distance) P-C4' energy: -145.870
flat angles C4'-P-C4' energy: -167.608
flat angles P-C4'-P energy: -103.421
tors. eta vs tors. theta energy: -218.666
Dist. restrs. and SS energy: 2.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -2386.725410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.725410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.987275 (E_RNA)
where:
Base-Base interactions energy: -1638.708
where: short stacking energy: -688.671
Base-Backbone interact. energy: -1.223
local terms energy: -749.056078
where:
bonds (distance) C4'-P energy: -133.804
bonds (distance) P-C4' energy: -147.218
flat angles C4'-P-C4' energy: -164.070
flat angles P-C4'-P energy: -109.744
tors. eta vs tors. theta energy: -194.220
Dist. restrs. and SS energy: 2.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -2255.804448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.804448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.167507 (E_RNA)
where:
Base-Base interactions energy: -1517.118
where: short stacking energy: -662.212
Base-Backbone interact. energy: 1.985
local terms energy: -743.034413
where:
bonds (distance) C4'-P energy: -146.238
bonds (distance) P-C4' energy: -146.501
flat angles C4'-P-C4' energy: -161.341
flat angles P-C4'-P energy: -99.901
tors. eta vs tors. theta energy: -189.053
Dist. restrs. and SS energy: 2.363 (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: 2
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -2114.428049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.428049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.496614 (E_RNA)
where:
Base-Base interactions energy: -1440.934
where: short stacking energy: -626.143
Base-Backbone interact. energy: -1.004
local terms energy: -674.558784
where:
bonds (distance) C4'-P energy: -140.787
bonds (distance) P-C4' energy: -125.410
flat angles C4'-P-C4' energy: -150.513
flat angles P-C4'-P energy: -107.365
tors. eta vs tors. theta energy: -150.482
Dist. restrs. and SS energy: 2.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -2004.495569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.495569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.930392 (E_RNA)
where:
Base-Base interactions energy: -1327.137
where: short stacking energy: -592.079
Base-Backbone interact. energy: -1.205
local terms energy: -678.589297
where:
bonds (distance) C4'-P energy: -124.666
bonds (distance) P-C4' energy: -155.763
flat angles C4'-P-C4' energy: -154.104
flat angles P-C4'-P energy: -90.226
tors. eta vs tors. theta energy: -153.831
Dist. restrs. and SS energy: 2.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -1960.065002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.065002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.989588 (E_RNA)
where:
Base-Base interactions energy: -1322.303
where: short stacking energy: -549.205
Base-Backbone interact. energy: -1.756
local terms energy: -637.931456
where:
bonds (distance) C4'-P energy: -131.120
bonds (distance) P-C4' energy: -123.436
flat angles C4'-P-C4' energy: -147.215
flat angles P-C4'-P energy: -92.338
tors. eta vs tors. theta energy: -143.824
Dist. restrs. and SS energy: 1.925 (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: 10
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -1829.127133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.127133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.339457 (E_RNA)
where:
Base-Base interactions energy: -1245.820
where: short stacking energy: -512.388
Base-Backbone interact. energy: -3.439
local terms energy: -586.080276
where:
bonds (distance) C4'-P energy: -123.886
bonds (distance) P-C4' energy: -129.059
flat angles C4'-P-C4' energy: -138.428
flat angles P-C4'-P energy: -83.124
tors. eta vs tors. theta energy: -111.583
Dist. restrs. and SS energy: 6.212 (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: 9
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -2940.992646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2940.992646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2942.821245 (E_RNA)
where:
Base-Base interactions energy: -2053.090
where: short stacking energy: -868.874
Base-Backbone interact. energy: 5.331
local terms energy: -895.062700
where:
bonds (distance) C4'-P energy: -163.260
bonds (distance) P-C4' energy: -168.933
flat angles C4'-P-C4' energy: -185.849
flat angles P-C4'-P energy: -118.877
tors. eta vs tors. theta energy: -258.143
Dist. restrs. and SS energy: 1.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -2839.905614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2839.905614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2842.155368 (E_RNA)
where:
Base-Base interactions energy: -1993.909
where: short stacking energy: -814.208
Base-Backbone interact. energy: 1.629
local terms energy: -849.875831
where:
bonds (distance) C4'-P energy: -167.946
bonds (distance) P-C4' energy: -154.204
flat angles C4'-P-C4' energy: -175.991
flat angles P-C4'-P energy: -121.701
tors. eta vs tors. theta energy: -230.035
Dist. restrs. and SS energy: 2.250 (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: 354
Temperature: 1.000000
Total energy: -2744.783601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2744.783601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.416511 (E_RNA)
where:
Base-Base interactions energy: -1924.079
where: short stacking energy: -811.373
Base-Backbone interact. energy: -1.511
local terms energy: -820.826992
where:
bonds (distance) C4'-P energy: -139.990
bonds (distance) P-C4' energy: -151.249
flat angles C4'-P-C4' energy: -180.534
flat angles P-C4'-P energy: -113.857
tors. eta vs tors. theta energy: -235.197
Dist. restrs. and SS energy: 1.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -2539.435000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.435000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.586083 (E_RNA)
where:
Base-Base interactions energy: -1740.779
where: short stacking energy: -780.267
Base-Backbone interact. energy: 2.158
local terms energy: -803.964824
where:
bonds (distance) C4'-P energy: -144.419
bonds (distance) P-C4' energy: -137.030
flat angles C4'-P-C4' energy: -171.134
flat angles P-C4'-P energy: -123.674
tors. eta vs tors. theta energy: -227.708
Dist. restrs. and SS energy: 3.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -2308.964509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.964509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.672635 (E_RNA)
where:
Base-Base interactions energy: -1582.696
where: short stacking energy: -698.778
Base-Backbone interact. energy: -3.119
local terms energy: -724.857413
where:
bonds (distance) C4'-P energy: -136.082
bonds (distance) P-C4' energy: -128.065
flat angles C4'-P-C4' energy: -177.246
flat angles P-C4'-P energy: -89.315
tors. eta vs tors. theta energy: -194.149
Dist. restrs. and SS energy: 1.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -2278.284563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.284563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.107697 (E_RNA)
where:
Base-Base interactions energy: -1589.303
where: short stacking energy: -656.201
Base-Backbone interact. energy: 6.281
local terms energy: -697.085148
where:
bonds (distance) C4'-P energy: -123.478
bonds (distance) P-C4' energy: -146.310
flat angles C4'-P-C4' energy: -152.556
flat angles P-C4'-P energy: -91.518
tors. eta vs tors. theta energy: -183.222
Dist. restrs. and SS energy: 1.823 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -2163.962858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.962858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.964229 (E_RNA)
where:
Base-Base interactions energy: -1456.985
where: short stacking energy: -638.622
Base-Backbone interact. energy: 9.066
local terms energy: -718.045324
where:
bonds (distance) C4'-P energy: -158.881
bonds (distance) P-C4' energy: -142.595
flat angles C4'-P-C4' energy: -134.878
flat angles P-C4'-P energy: -94.009
tors. eta vs tors. theta energy: -187.682
Dist. restrs. and SS energy: 2.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -2078.365815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.365815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.198055 (E_RNA)
where:
Base-Base interactions energy: -1378.196
where: short stacking energy: -591.927
Base-Backbone interact. energy: -2.268
local terms energy: -701.734577
where:
bonds (distance) C4'-P energy: -150.856
bonds (distance) P-C4' energy: -157.403
flat angles C4'-P-C4' energy: -137.169
flat angles P-C4'-P energy: -101.088
tors. eta vs tors. theta energy: -155.220
Dist. restrs. and SS energy: 3.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -1960.406120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.406120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.198089 (E_RNA)
where:
Base-Base interactions energy: -1330.266
where: short stacking energy: -574.782
Base-Backbone interact. energy: -2.030
local terms energy: -630.902387
where:
bonds (distance) C4'-P energy: -116.546
bonds (distance) P-C4' energy: -138.649
flat angles C4'-P-C4' energy: -141.757
flat angles P-C4'-P energy: -88.170
tors. eta vs tors. theta energy: -145.782
Dist. restrs. and SS energy: 2.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -1853.335623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.335623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.158071 (E_RNA)
where:
Base-Base interactions energy: -1230.505
where: short stacking energy: -498.571
Base-Backbone interact. energy: -2.548
local terms energy: -626.104675
where:
bonds (distance) C4'-P energy: -111.303
bonds (distance) P-C4' energy: -136.797
flat angles C4'-P-C4' energy: -152.758
flat angles P-C4'-P energy: -100.073
tors. eta vs tors. theta energy: -125.174
Dist. restrs. and SS energy: 5.822 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -2969.352268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2969.352268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2972.016611 (E_RNA)
where:
Base-Base interactions energy: -2043.713
where: short stacking energy: -851.958
Base-Backbone interact. energy: -1.203
local terms energy: -927.100413
where:
bonds (distance) C4'-P energy: -173.553
bonds (distance) P-C4' energy: -172.070
flat angles C4'-P-C4' energy: -196.355
flat angles P-C4'-P energy: -141.150
tors. eta vs tors. theta energy: -243.973
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: 4
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -2844.663335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2844.663335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2847.304109 (E_RNA)
where:
Base-Base interactions energy: -2005.561
where: short stacking energy: -834.390
Base-Backbone interact. energy: -0.557
local terms energy: -841.185341
where:
bonds (distance) C4'-P energy: -156.037
bonds (distance) P-C4' energy: -149.736
flat angles C4'-P-C4' energy: -187.484
flat angles P-C4'-P energy: -114.369
tors. eta vs tors. theta energy: -233.560
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: 3, replica: 7
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -2789.325130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2789.325130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.071436 (E_RNA)
where:
Base-Base interactions energy: -1932.374
where: short stacking energy: -793.034
Base-Backbone interact. energy: -3.420
local terms energy: -856.277067
where:
bonds (distance) C4'-P energy: -151.861
bonds (distance) P-C4' energy: -156.384
flat angles C4'-P-C4' energy: -192.829
flat angles P-C4'-P energy: -122.418
tors. eta vs tors. theta energy: -232.785
Dist. restrs. and SS energy: 2.746 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -2595.226932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.226932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.585938 (E_RNA)
where:
Base-Base interactions energy: -1793.042
where: short stacking energy: -766.476
Base-Backbone interact. energy: -2.218
local terms energy: -803.325947
where:
bonds (distance) C4'-P energy: -164.241
bonds (distance) P-C4' energy: -124.900
flat angles C4'-P-C4' energy: -158.882
flat angles P-C4'-P energy: -128.632
tors. eta vs tors. theta energy: -226.672
Dist. restrs. and SS energy: 3.359 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -2305.146408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.146408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.059061 (E_RNA)
where:
Base-Base interactions energy: -1570.386
where: short stacking energy: -691.235
Base-Backbone interact. energy: 0.709
local terms energy: -737.382328
where:
bonds (distance) C4'-P energy: -130.233
bonds (distance) P-C4' energy: -152.624
flat angles C4'-P-C4' energy: -170.699
flat angles P-C4'-P energy: -94.719
tors. eta vs tors. theta energy: -189.107
Dist. restrs. and SS energy: 1.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -2310.827982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.827982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.372686 (E_RNA)
where:
Base-Base interactions energy: -1564.403
where: short stacking energy: -642.694
Base-Backbone interact. energy: 2.661
local terms energy: -750.630586
where:
bonds (distance) C4'-P energy: -140.623
bonds (distance) P-C4' energy: -160.773
flat angles C4'-P-C4' energy: -161.110
flat angles P-C4'-P energy: -115.643
tors. eta vs tors. theta energy: -172.481
Dist. restrs. and SS energy: 1.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -2106.043092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.043092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.411293 (E_RNA)
where:
Base-Base interactions energy: -1418.859
where: short stacking energy: -598.576
Base-Backbone interact. energy: -0.809
local terms energy: -688.743055
where:
bonds (distance) C4'-P energy: -134.215
bonds (distance) P-C4' energy: -137.039
flat angles C4'-P-C4' energy: -148.624
flat angles P-C4'-P energy: -96.010
tors. eta vs tors. theta energy: -172.855
Dist. restrs. and SS energy: 2.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -1998.600343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.600343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.318544 (E_RNA)
where:
Base-Base interactions energy: -1359.734
where: short stacking energy: -571.897
Base-Backbone interact. energy: 0.899
local terms energy: -641.483464
where:
bonds (distance) C4'-P energy: -124.040
bonds (distance) P-C4' energy: -114.920
flat angles C4'-P-C4' energy: -160.460
flat angles P-C4'-P energy: -98.548
tors. eta vs tors. theta energy: -143.516
Dist. restrs. and SS energy: 1.718 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -1977.901517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.901517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.792021 (E_RNA)
where:
Base-Base interactions energy: -1350.227
where: short stacking energy: -553.035
Base-Backbone interact. energy: -3.371
local terms energy: -626.193735
where:
bonds (distance) C4'-P energy: -103.287
bonds (distance) P-C4' energy: -143.914
flat angles C4'-P-C4' energy: -133.108
flat angles P-C4'-P energy: -96.888
tors. eta vs tors. theta energy: -148.997
Dist. restrs. and SS energy: 1.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -1865.758137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.758137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.866027 (E_RNA)
where:
Base-Base interactions energy: -1284.840
where: short stacking energy: -514.971
Base-Backbone interact. energy: -0.607
local terms energy: -583.418623
where:
bonds (distance) C4'-P energy: -129.324
bonds (distance) P-C4' energy: -124.270
flat angles C4'-P-C4' energy: -133.337
flat angles P-C4'-P energy: -68.162
tors. eta vs tors. theta energy: -128.326
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: 1, replica: 9
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -2958.883205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2958.883205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2961.149954 (E_RNA)
where:
Base-Base interactions energy: -2063.058
where: short stacking energy: -835.727
Base-Backbone interact. energy: -4.300
local terms energy: -893.791808
where:
bonds (distance) C4'-P energy: -158.605
bonds (distance) P-C4' energy: -147.997
flat angles C4'-P-C4' energy: -191.810
flat angles P-C4'-P energy: -138.647
tors. eta vs tors. theta energy: -256.733
Dist. restrs. and SS energy: 2.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -2832.263572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.263572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2835.320170 (E_RNA)
where:
Base-Base interactions energy: -1970.306
where: short stacking energy: -790.603
Base-Backbone interact. energy: -4.913
local terms energy: -860.100624
where:
bonds (distance) C4'-P energy: -151.001
bonds (distance) P-C4' energy: -160.291
flat angles C4'-P-C4' energy: -185.937
flat angles P-C4'-P energy: -128.767
tors. eta vs tors. theta energy: -234.105
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: 3, replica: 7
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -2767.970159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.970159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.736401 (E_RNA)
where:
Base-Base interactions energy: -1929.878
where: short stacking energy: -805.991
Base-Backbone interact. energy: -0.582
local terms energy: -838.276188
where:
bonds (distance) C4'-P energy: -137.974
bonds (distance) P-C4' energy: -163.974
flat angles C4'-P-C4' energy: -175.071
flat angles P-C4'-P energy: -125.545
tors. eta vs tors. theta energy: -235.711
Dist. restrs. and SS energy: 0.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -2580.553669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.553669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.830029 (E_RNA)
where:
Base-Base interactions energy: -1778.537
where: short stacking energy: -755.178
Base-Backbone interact. energy: -3.186
local terms energy: -803.106526
where:
bonds (distance) C4'-P energy: -132.873
bonds (distance) P-C4' energy: -156.900
flat angles C4'-P-C4' energy: -164.001
flat angles P-C4'-P energy: -118.418
tors. eta vs tors. theta energy: -230.915
Dist. restrs. and SS energy: 4.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -2300.591125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.591125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.094319 (E_RNA)
where:
Base-Base interactions energy: -1560.331
where: short stacking energy: -659.782
Base-Backbone interact. energy: 2.263
local terms energy: -745.026726
where:
bonds (distance) C4'-P energy: -130.382
bonds (distance) P-C4' energy: -155.033
flat angles C4'-P-C4' energy: -171.369
flat angles P-C4'-P energy: -110.542
tors. eta vs tors. theta energy: -177.700
Dist. restrs. and SS energy: 2.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -2313.116550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.116550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.010631 (E_RNA)
where:
Base-Base interactions energy: -1596.244
where: short stacking energy: -675.121
Base-Backbone interact. energy: -3.139
local terms energy: -717.627045
where:
bonds (distance) C4'-P energy: -133.220
bonds (distance) P-C4' energy: -150.435
flat angles C4'-P-C4' energy: -152.989
flat angles P-C4'-P energy: -96.641
tors. eta vs tors. theta energy: -184.342
Dist. restrs. and SS energy: 3.894 (S_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: 356
Temperature: 1.200000
Total energy: -2152.542389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.542389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.914591 (E_RNA)
where:
Base-Base interactions energy: -1479.858
where: short stacking energy: -594.790
Base-Backbone interact. energy: -1.252
local terms energy: -673.804686
where:
bonds (distance) C4'-P energy: -126.895
bonds (distance) P-C4' energy: -135.567
flat angles C4'-P-C4' energy: -160.650
flat angles P-C4'-P energy: -86.636
tors. eta vs tors. theta energy: -164.058
Dist. restrs. and SS energy: 2.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -2042.015839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.015839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.961376 (E_RNA)
where:
Base-Base interactions energy: -1390.340
where: short stacking energy: -579.146
Base-Backbone interact. energy: 0.193
local terms energy: -653.814238
where:
bonds (distance) C4'-P energy: -129.645
bonds (distance) P-C4' energy: -125.349
flat angles C4'-P-C4' energy: -156.069
flat angles P-C4'-P energy: -83.661
tors. eta vs tors. theta energy: -159.090
Dist. restrs. and SS energy: 1.946 (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: 1
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -1974.249349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.249349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.681129 (E_RNA)
where:
Base-Base interactions energy: -1348.639
where: short stacking energy: -562.822
Base-Backbone interact. energy: 1.775
local terms energy: -635.816420
where:
bonds (distance) C4'-P energy: -137.457
bonds (distance) P-C4' energy: -137.974
flat angles C4'-P-C4' energy: -148.821
flat angles P-C4'-P energy: -66.437
tors. eta vs tors. theta energy: -145.126
Dist. restrs. and SS energy: 8.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -1831.593442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.593442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.569693 (E_RNA)
where:
Base-Base interactions energy: -1246.321
where: short stacking energy: -529.668
Base-Backbone interact. energy: -1.848
local terms energy: -586.400187
where:
bonds (distance) C4'-P energy: -123.292
bonds (distance) P-C4' energy: -132.611
flat angles C4'-P-C4' energy: -114.569
flat angles P-C4'-P energy: -79.868
tors. eta vs tors. theta energy: -136.060
Dist. restrs. and SS energy: 2.976 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -2958.532914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2958.532914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2959.358940 (E_RNA)
where:
Base-Base interactions energy: -2059.813
where: short stacking energy: -864.570
Base-Backbone interact. energy: -1.593
local terms energy: -897.952351
where:
bonds (distance) C4'-P energy: -150.921
bonds (distance) P-C4' energy: -175.333
flat angles C4'-P-C4' energy: -177.589
flat angles P-C4'-P energy: -140.683
tors. eta vs tors. theta energy: -253.426
Dist. restrs. and SS energy: 0.826 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -2875.324540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2875.324540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2877.594184 (E_RNA)
where:
Base-Base interactions energy: -2023.155
where: short stacking energy: -824.214
Base-Backbone interact. energy: -3.752
local terms energy: -850.687713
where:
bonds (distance) C4'-P energy: -156.813
bonds (distance) P-C4' energy: -151.537
flat angles C4'-P-C4' energy: -177.089
flat angles P-C4'-P energy: -125.930
tors. eta vs tors. theta energy: -239.319
Dist. restrs. and SS energy: 2.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -2742.497642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.497642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.723928 (E_RNA)
where:
Base-Base interactions energy: -1912.304
where: short stacking energy: -805.999
Base-Backbone interact. energy: -1.670
local terms energy: -830.750070
where:
bonds (distance) C4'-P energy: -157.820
bonds (distance) P-C4' energy: -162.763
flat angles C4'-P-C4' energy: -167.850
flat angles P-C4'-P energy: -108.944
tors. eta vs tors. theta energy: -233.373
Dist. restrs. and SS energy: 2.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -2585.629596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.629596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.560869 (E_RNA)
where:
Base-Base interactions energy: -1780.660
where: short stacking energy: -762.266
Base-Backbone interact. energy: -3.697
local terms energy: -804.203501
where:
bonds (distance) C4'-P energy: -155.301
bonds (distance) P-C4' energy: -145.217
flat angles C4'-P-C4' energy: -175.402
flat angles P-C4'-P energy: -107.596
tors. eta vs tors. theta energy: -220.688
Dist. restrs. and SS energy: 2.931 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -2292.515744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.515744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.018278 (E_RNA)
where:
Base-Base interactions energy: -1530.333
where: short stacking energy: -656.237
Base-Backbone interact. energy: 5.273
local terms energy: -769.958980
where:
bonds (distance) C4'-P energy: -152.112
bonds (distance) P-C4' energy: -160.007
flat angles C4'-P-C4' energy: -169.620
flat angles P-C4'-P energy: -109.022
tors. eta vs tors. theta energy: -179.198
Dist. restrs. and SS energy: 2.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -2250.682396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.682396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.849108 (E_RNA)
where:
Base-Base interactions energy: -1540.092
where: short stacking energy: -641.096
Base-Backbone interact. energy: 0.628
local terms energy: -713.384878
where:
bonds (distance) C4'-P energy: -118.661
bonds (distance) P-C4' energy: -157.851
flat angles C4'-P-C4' energy: -152.644
flat angles P-C4'-P energy: -104.316
tors. eta vs tors. theta energy: -179.914
Dist. restrs. and SS energy: 2.167 (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: 2
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -2122.036808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.036808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.166975 (E_RNA)
where:
Base-Base interactions energy: -1436.926
where: short stacking energy: -638.655
Base-Backbone interact. energy: 6.308
local terms energy: -693.548162
where:
bonds (distance) C4'-P energy: -125.512
bonds (distance) P-C4' energy: -144.253
flat angles C4'-P-C4' energy: -166.929
flat angles P-C4'-P energy: -89.840
tors. eta vs tors. theta energy: -167.014
Dist. restrs. and SS energy: 2.130 (S_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: 357
Temperature: 1.250000
Total energy: -2008.506228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.506228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.047290 (E_RNA)
where:
Base-Base interactions energy: -1350.491
where: short stacking energy: -572.963
Base-Backbone interact. energy: -1.966
local terms energy: -658.590555
where:
bonds (distance) C4'-P energy: -130.047
bonds (distance) P-C4' energy: -145.169
flat angles C4'-P-C4' energy: -156.085
flat angles P-C4'-P energy: -78.187
tors. eta vs tors. theta energy: -149.103
Dist. restrs. and SS energy: 2.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -1964.208982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.208982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.556260 (E_RNA)
where:
Base-Base interactions energy: -1340.569
where: short stacking energy: -576.746
Base-Backbone interact. energy: -1.072
local terms energy: -624.915377
where:
bonds (distance) C4'-P energy: -127.966
bonds (distance) P-C4' energy: -126.560
flat angles C4'-P-C4' energy: -133.829
flat angles P-C4'-P energy: -83.413
tors. eta vs tors. theta energy: -153.147
Dist. restrs. and SS energy: 2.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -1806.640618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.640618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.973133 (E_RNA)
where:
Base-Base interactions energy: -1225.560
where: short stacking energy: -480.779
Base-Backbone interact. energy: 2.846
local terms energy: -587.259319
where:
bonds (distance) C4'-P energy: -128.069
bonds (distance) P-C4' energy: -133.028
flat angles C4'-P-C4' energy: -140.791
flat angles P-C4'-P energy: -86.231
tors. eta vs tors. theta energy: -99.140
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: 1, replica: 4
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -2910.030703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2910.030703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2911.872283 (E_RNA)
where:
Base-Base interactions energy: -2048.472
where: short stacking energy: -835.913
Base-Backbone interact. energy: -1.503
local terms energy: -861.897078
where:
bonds (distance) C4'-P energy: -154.935
bonds (distance) P-C4' energy: -161.066
flat angles C4'-P-C4' energy: -181.512
flat angles P-C4'-P energy: -130.939
tors. eta vs tors. theta energy: -233.444
Dist. restrs. and SS energy: 1.842 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -2908.236956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2908.236956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2909.383344 (E_RNA)
where:
Base-Base interactions energy: -2034.986
where: short stacking energy: -859.147
Base-Backbone interact. energy: -1.522
local terms energy: -872.874617
where:
bonds (distance) C4'-P energy: -134.378
bonds (distance) P-C4' energy: -162.608
flat angles C4'-P-C4' energy: -191.512
flat angles P-C4'-P energy: -136.897
tors. eta vs tors. theta energy: -247.480
Dist. restrs. and SS energy: 1.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -2716.191675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.191675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.587164 (E_RNA)
where:
Base-Base interactions energy: -1898.159
where: short stacking energy: -780.716
Base-Backbone interact. energy: 0.117
local terms energy: -820.545219
where:
bonds (distance) C4'-P energy: -156.174
bonds (distance) P-C4' energy: -153.859
flat angles C4'-P-C4' energy: -176.057
flat angles P-C4'-P energy: -111.839
tors. eta vs tors. theta energy: -222.615
Dist. restrs. and SS energy: 2.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -2577.754313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.754313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.711373 (E_RNA)
where:
Base-Base interactions energy: -1804.633
where: short stacking energy: -751.692
Base-Backbone interact. energy: -0.479
local terms energy: -775.599221
where:
bonds (distance) C4'-P energy: -146.415
bonds (distance) P-C4' energy: -138.216
flat angles C4'-P-C4' energy: -158.675
flat angles P-C4'-P energy: -114.427
tors. eta vs tors. theta energy: -217.866
Dist. restrs. and SS energy: 2.957 (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: 6
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -2268.766731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.766731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.837372 (E_RNA)
where:
Base-Base interactions energy: -1545.294
where: short stacking energy: -653.450
Base-Backbone interact. energy: -1.785
local terms energy: -722.758415
where:
bonds (distance) C4'-P energy: -134.558
bonds (distance) P-C4' energy: -135.579
flat angles C4'-P-C4' energy: -171.825
flat angles P-C4'-P energy: -92.132
tors. eta vs tors. theta energy: -188.665
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: 6, replica: 8
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -2298.703905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.703905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.902375 (E_RNA)
where:
Base-Base interactions energy: -1580.605
where: short stacking energy: -654.045
Base-Backbone interact. energy: -2.674
local terms energy: -718.623158
where:
bonds (distance) C4'-P energy: -133.466
bonds (distance) P-C4' energy: -155.255
flat angles C4'-P-C4' energy: -156.682
flat angles P-C4'-P energy: -96.510
tors. eta vs tors. theta energy: -176.710
Dist. restrs. and SS energy: 3.198 (S_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: 358
Temperature: 1.200000
Total energy: -2083.624241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.624241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.825367 (E_RNA)
where:
Base-Base interactions energy: -1427.299
where: short stacking energy: -610.508
Base-Backbone interact. energy: -3.578
local terms energy: -656.948363
where:
bonds (distance) C4'-P energy: -125.939
bonds (distance) P-C4' energy: -124.947
flat angles C4'-P-C4' energy: -149.110
flat angles P-C4'-P energy: -92.119
tors. eta vs tors. theta energy: -164.833
Dist. restrs. and SS energy: 4.201 (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: 2
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -2038.983178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.983178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.661055 (E_RNA)
where:
Base-Base interactions energy: -1370.270
where: short stacking energy: -560.085
Base-Backbone interact. energy: -1.123
local terms energy: -670.267748
where:
bonds (distance) C4'-P energy: -115.216
bonds (distance) P-C4' energy: -149.182
flat angles C4'-P-C4' energy: -155.008
flat angles P-C4'-P energy: -98.830
tors. eta vs tors. theta energy: -152.032
Dist. restrs. and SS energy: 2.678 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -1906.388086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.388086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.069558 (E_RNA)
where:
Base-Base interactions energy: -1270.772
where: short stacking energy: -541.052
Base-Backbone interact. energy: -2.968
local terms energy: -636.329705
where:
bonds (distance) C4'-P energy: -148.111
bonds (distance) P-C4' energy: -144.258
flat angles C4'-P-C4' energy: -137.673
flat angles P-C4'-P energy: -71.040
tors. eta vs tors. theta energy: -135.248
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: 10, replica: 10
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -1795.427042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.427042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.656957 (E_RNA)
where:
Base-Base interactions energy: -1202.580
where: short stacking energy: -514.970
Base-Backbone interact. energy: 7.875
local terms energy: -605.951974
where:
bonds (distance) C4'-P energy: -125.587
bonds (distance) P-C4' energy: -131.488
flat angles C4'-P-C4' energy: -142.157
flat angles P-C4'-P energy: -87.838
tors. eta vs tors. theta energy: -118.882
Dist. restrs. and SS energy: 5.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -2903.824343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2903.824343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2907.165538 (E_RNA)
where:
Base-Base interactions energy: -2032.607
where: short stacking energy: -826.067
Base-Backbone interact. energy: -3.610
local terms energy: -870.948585
where:
bonds (distance) C4'-P energy: -163.681
bonds (distance) P-C4' energy: -165.482
flat angles C4'-P-C4' energy: -179.971
flat angles P-C4'-P energy: -135.864
tors. eta vs tors. theta energy: -225.952
Dist. restrs. and SS energy: 3.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -2887.594746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2887.594746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2888.892670 (E_RNA)
where:
Base-Base interactions energy: -2012.174
where: short stacking energy: -867.475
Base-Backbone interact. energy: 1.598
local terms energy: -878.316568
where:
bonds (distance) C4'-P energy: -141.465
bonds (distance) P-C4' energy: -157.841
flat angles C4'-P-C4' energy: -186.058
flat angles P-C4'-P energy: -129.442
tors. eta vs tors. theta energy: -263.510
Dist. restrs. and SS energy: 1.298 (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: 7
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -2722.108305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.108305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.823970 (E_RNA)
where:
Base-Base interactions energy: -1865.720
where: short stacking energy: -760.647
Base-Backbone interact. energy: -3.401
local terms energy: -855.702526
where:
bonds (distance) C4'-P energy: -160.818
bonds (distance) P-C4' energy: -153.029
flat angles C4'-P-C4' energy: -182.608
flat angles P-C4'-P energy: -125.831
tors. eta vs tors. theta energy: -233.416
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: 4, replica: 5
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -2577.172613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.172613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.959932 (E_RNA)
where:
Base-Base interactions energy: -1781.513
where: short stacking energy: -761.643
Base-Backbone interact. energy: -2.913
local terms energy: -794.533395
where:
bonds (distance) C4'-P energy: -147.675
bonds (distance) P-C4' energy: -140.910
flat angles C4'-P-C4' energy: -176.418
flat angles P-C4'-P energy: -111.601
tors. eta vs tors. theta energy: -217.929
Dist. restrs. and SS energy: 1.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -2324.373305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.373305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.811408 (E_RNA)
where:
Base-Base interactions energy: -1564.506
where: short stacking energy: -703.107
Base-Backbone interact. energy: -2.193
local terms energy: -760.112417
where:
bonds (distance) C4'-P energy: -130.896
bonds (distance) P-C4' energy: -143.428
flat angles C4'-P-C4' energy: -172.928
flat angles P-C4'-P energy: -105.502
tors. eta vs tors. theta energy: -207.358
Dist. restrs. and SS energy: 2.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -2312.177458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.177458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.864208 (E_RNA)
where:
Base-Base interactions energy: -1578.196
where: short stacking energy: -670.773
Base-Backbone interact. energy: 8.740
local terms energy: -744.407766
where:
bonds (distance) C4'-P energy: -142.025
bonds (distance) P-C4' energy: -145.882
flat angles C4'-P-C4' energy: -159.516
flat angles P-C4'-P energy: -103.315
tors. eta vs tors. theta energy: -193.669
Dist. restrs. and SS energy: 1.687 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -2095.162462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.162462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.604988 (E_RNA)
where:
Base-Base interactions energy: -1406.640
where: short stacking energy: -588.230
Base-Backbone interact. energy: 1.231
local terms energy: -691.195235
where:
bonds (distance) C4'-P energy: -126.552
bonds (distance) P-C4' energy: -149.213
flat angles C4'-P-C4' energy: -165.820
flat angles P-C4'-P energy: -104.708
tors. eta vs tors. theta energy: -144.903
Dist. restrs. and SS energy: 1.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -2047.576589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.576589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.663198 (E_RNA)
where:
Base-Base interactions energy: -1388.342
where: short stacking energy: -586.991
Base-Backbone interact. energy: 0.400
local terms energy: -662.720646
where:
bonds (distance) C4'-P energy: -112.945
bonds (distance) P-C4' energy: -137.216
flat angles C4'-P-C4' energy: -154.299
flat angles P-C4'-P energy: -89.099
tors. eta vs tors. theta energy: -169.162
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: 9, replica: 2
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -1936.570111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.570111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.629217 (E_RNA)
where:
Base-Base interactions energy: -1312.303
where: short stacking energy: -571.631
Base-Backbone interact. energy: 4.966
local terms energy: -634.291780
where:
bonds (distance) C4'-P energy: -106.206
bonds (distance) P-C4' energy: -147.652
flat angles C4'-P-C4' energy: -145.949
flat angles P-C4'-P energy: -82.264
tors. eta vs tors. theta energy: -152.220
Dist. restrs. and SS energy: 5.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -1805.192887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.192887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.750041 (E_RNA)
where:
Base-Base interactions energy: -1228.218
where: short stacking energy: -499.166
Base-Backbone interact. energy: 2.384
local terms energy: -583.915546
where:
bonds (distance) C4'-P energy: -124.625
bonds (distance) P-C4' energy: -140.098
flat angles C4'-P-C4' energy: -132.219
flat angles P-C4'-P energy: -65.555
tors. eta vs tors. theta energy: -121.418
Dist. restrs. and SS energy: 4.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -2902.367391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2902.367391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2904.871943 (E_RNA)
where:
Base-Base interactions energy: -2051.904
where: short stacking energy: -820.162
Base-Backbone interact. energy: -3.693
local terms energy: -849.275310
where:
bonds (distance) C4'-P energy: -162.311
bonds (distance) P-C4' energy: -163.652
flat angles C4'-P-C4' energy: -190.157
flat angles P-C4'-P energy: -113.015
tors. eta vs tors. theta energy: -220.141
Dist. restrs. and SS energy: 2.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -2887.581266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2887.581266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2888.961566 (E_RNA)
where:
Base-Base interactions energy: -2030.574
where: short stacking energy: -849.974
Base-Backbone interact. energy: -1.884
local terms energy: -856.503511
where:
bonds (distance) C4'-P energy: -140.960
bonds (distance) P-C4' energy: -150.029
flat angles C4'-P-C4' energy: -187.383
flat angles P-C4'-P energy: -124.011
tors. eta vs tors. theta energy: -254.121
Dist. restrs. and SS energy: 1.380 (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: 7
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -2725.946925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2725.946925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.831204 (E_RNA)
where:
Base-Base interactions energy: -1893.220
where: short stacking energy: -788.234
Base-Backbone interact. energy: -5.838
local terms energy: -829.773448
where:
bonds (distance) C4'-P energy: -138.230
bonds (distance) P-C4' energy: -168.507
flat angles C4'-P-C4' energy: -181.193
flat angles P-C4'-P energy: -116.613
tors. eta vs tors. theta energy: -225.231
Dist. restrs. and SS energy: 2.884 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -2568.795185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.795185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.456200 (E_RNA)
where:
Base-Base interactions energy: -1749.379
where: short stacking energy: -743.557
Base-Backbone interact. energy: -3.597
local terms energy: -817.480235
where:
bonds (distance) C4'-P energy: -158.100
bonds (distance) P-C4' energy: -157.756
flat angles C4'-P-C4' energy: -172.597
flat angles P-C4'-P energy: -117.400
tors. eta vs tors. theta energy: -211.626
Dist. restrs. and SS energy: 1.661 (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: 6
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -2357.810687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.810687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.544508 (E_RNA)
where:
Base-Base interactions energy: -1601.797
where: short stacking energy: -674.938
Base-Backbone interact. energy: 4.032
local terms energy: -761.779236
where:
bonds (distance) C4'-P energy: -157.008
bonds (distance) P-C4' energy: -148.770
flat angles C4'-P-C4' energy: -173.320
flat angles P-C4'-P energy: -91.463
tors. eta vs tors. theta energy: -191.219
Dist. restrs. and SS energy: 1.734 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -2329.456042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.456042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.795878 (E_RNA)
where:
Base-Base interactions energy: -1576.240
where: short stacking energy: -680.348
Base-Backbone interact. energy: 3.466
local terms energy: -758.022541
where:
bonds (distance) C4'-P energy: -142.415
bonds (distance) P-C4' energy: -159.839
flat angles C4'-P-C4' energy: -160.373
flat angles P-C4'-P energy: -99.970
tors. eta vs tors. theta energy: -195.426
Dist. restrs. and SS energy: 1.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -2078.449145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.449145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.940504 (E_RNA)
where:
Base-Base interactions energy: -1408.325
where: short stacking energy: -628.307
Base-Backbone interact. energy: -0.919
local terms energy: -673.696765
where:
bonds (distance) C4'-P energy: -115.451
bonds (distance) P-C4' energy: -147.130
flat angles C4'-P-C4' energy: -147.638
flat angles P-C4'-P energy: -103.968
tors. eta vs tors. theta energy: -159.510
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: 8, replica: 1
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -2028.128097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.128097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.396480 (E_RNA)
where:
Base-Base interactions energy: -1342.248
where: short stacking energy: -562.113
Base-Backbone interact. energy: -3.238
local terms energy: -685.910638
where:
bonds (distance) C4'-P energy: -142.751
bonds (distance) P-C4' energy: -142.487
flat angles C4'-P-C4' energy: -145.704
flat angles P-C4'-P energy: -101.525
tors. eta vs tors. theta energy: -153.445
Dist. restrs. and SS energy: 3.268 (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: 2
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -1946.361485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.361485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.980449 (E_RNA)
where:
Base-Base interactions energy: -1345.502
where: short stacking energy: -570.286
Base-Backbone interact. energy: 1.141
local terms energy: -604.619190
where:
bonds (distance) C4'-P energy: -128.425
bonds (distance) P-C4' energy: -113.545
flat angles C4'-P-C4' energy: -127.145
flat angles P-C4'-P energy: -86.053
tors. eta vs tors. theta energy: -149.450
Dist. restrs. and SS energy: 2.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -1816.784015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.784015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.952775 (E_RNA)
where:
Base-Base interactions energy: -1220.679
where: short stacking energy: -513.485
Base-Backbone interact. energy: -4.973
local terms energy: -600.301591
where:
bonds (distance) C4'-P energy: -118.887
bonds (distance) P-C4' energy: -129.755
flat angles C4'-P-C4' energy: -128.998
flat angles P-C4'-P energy: -102.366
tors. eta vs tors. theta energy: -120.296
Dist. restrs. and SS energy: 9.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -2947.924347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2947.924347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2950.501201 (E_RNA)
where:
Base-Base interactions energy: -2078.333
where: short stacking energy: -823.939
Base-Backbone interact. energy: -0.985
local terms energy: -871.184120
where:
bonds (distance) C4'-P energy: -152.305
bonds (distance) P-C4' energy: -170.502
flat angles C4'-P-C4' energy: -193.992
flat angles P-C4'-P energy: -114.819
tors. eta vs tors. theta energy: -239.566
Dist. restrs. and SS energy: 2.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -2860.569569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2860.569569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2863.020427 (E_RNA)
where:
Base-Base interactions energy: -1994.257
where: short stacking energy: -842.261
Base-Backbone interact. energy: -1.872
local terms energy: -866.891841
where:
bonds (distance) C4'-P energy: -149.700
bonds (distance) P-C4' energy: -170.003
flat angles C4'-P-C4' energy: -176.390
flat angles P-C4'-P energy: -114.316
tors. eta vs tors. theta energy: -256.484
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: 3, replica: 7
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -2722.381214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.381214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.126609 (E_RNA)
where:
Base-Base interactions energy: -1893.330
where: short stacking energy: -777.616
Base-Backbone interact. energy: -0.624
local terms energy: -830.172311
where:
bonds (distance) C4'-P energy: -161.809
bonds (distance) P-C4' energy: -149.118
flat angles C4'-P-C4' energy: -183.506
flat angles P-C4'-P energy: -92.316
tors. eta vs tors. theta energy: -243.424
Dist. restrs. and SS energy: 1.745 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -2590.125145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.125145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.385776 (E_RNA)
where:
Base-Base interactions energy: -1766.548
where: short stacking energy: -748.153
Base-Backbone interact. energy: -2.196
local terms energy: -822.642576
where:
bonds (distance) C4'-P energy: -139.886
bonds (distance) P-C4' energy: -146.779
flat angles C4'-P-C4' energy: -184.558
flat angles P-C4'-P energy: -133.114
tors. eta vs tors. theta energy: -218.305
Dist. restrs. and SS energy: 1.261 (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: 361
Temperature: 1.100000
Total energy: -2361.544502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.544502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.143123 (E_RNA)
where:
Base-Base interactions energy: -1578.240
where: short stacking energy: -692.242
Base-Backbone interact. energy: 3.761
local terms energy: -789.664571
where:
bonds (distance) C4'-P energy: -157.330
bonds (distance) P-C4' energy: -156.275
flat angles C4'-P-C4' energy: -174.559
flat angles P-C4'-P energy: -100.831
tors. eta vs tors. theta energy: -200.670
Dist. restrs. and SS energy: 2.599 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -2297.495659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.495659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.221610 (E_RNA)
where:
Base-Base interactions energy: -1565.622
where: short stacking energy: -669.678
Base-Backbone interact. energy: -0.803
local terms energy: -732.796307
where:
bonds (distance) C4'-P energy: -135.854
bonds (distance) P-C4' energy: -122.403
flat angles C4'-P-C4' energy: -162.799
flat angles P-C4'-P energy: -112.416
tors. eta vs tors. theta energy: -199.325
Dist. restrs. and SS energy: 1.726 (S_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: 361
Temperature: 1.200000
Total energy: -2148.847372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.847372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.432128 (E_RNA)
where:
Base-Base interactions energy: -1426.207
where: short stacking energy: -621.078
Base-Backbone interact. energy: -1.712
local terms energy: -722.513519
where:
bonds (distance) C4'-P energy: -139.673
bonds (distance) P-C4' energy: -147.618
flat angles C4'-P-C4' energy: -151.433
flat angles P-C4'-P energy: -100.659
tors. eta vs tors. theta energy: -183.131
Dist. restrs. and SS energy: 1.585 (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: 1
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -2038.030823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.030823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.477459 (E_RNA)
where:
Base-Base interactions energy: -1387.151
where: short stacking energy: -584.921
Base-Backbone interact. energy: -2.782
local terms energy: -649.544298
where:
bonds (distance) C4'-P energy: -96.496
bonds (distance) P-C4' energy: -161.140
flat angles C4'-P-C4' energy: -141.529
flat angles P-C4'-P energy: -93.374
tors. eta vs tors. theta energy: -157.005
Dist. restrs. and SS energy: 1.447 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -1945.599101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.599101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.130585 (E_RNA)
where:
Base-Base interactions energy: -1287.785
where: short stacking energy: -570.216
Base-Backbone interact. energy: -2.943
local terms energy: -659.402247
where:
bonds (distance) C4'-P energy: -116.744
bonds (distance) P-C4' energy: -146.217
flat angles C4'-P-C4' energy: -155.436
flat angles P-C4'-P energy: -93.055
tors. eta vs tors. theta energy: -147.950
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: 10, replica: 10
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -1746.651355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.651355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.917992 (E_RNA)
where:
Base-Base interactions energy: -1189.361
where: short stacking energy: -492.820
Base-Backbone interact. energy: 0.355
local terms energy: -565.912074
where:
bonds (distance) C4'-P energy: -128.462
bonds (distance) P-C4' energy: -124.727
flat angles C4'-P-C4' energy: -118.613
flat angles P-C4'-P energy: -68.817
tors. eta vs tors. theta energy: -125.292
Dist. restrs. and SS energy: 8.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -2900.291452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2900.291452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2901.604287 (E_RNA)
where:
Base-Base interactions energy: -2038.370
where: short stacking energy: -855.304
Base-Backbone interact. energy: -1.051
local terms energy: -862.183082
where:
bonds (distance) C4'-P energy: -149.198
bonds (distance) P-C4' energy: -162.763
flat angles C4'-P-C4' energy: -188.265
flat angles P-C4'-P energy: -117.555
tors. eta vs tors. theta energy: -244.402
Dist. restrs. and SS energy: 1.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -2851.116366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2851.116366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2853.755831 (E_RNA)
where:
Base-Base interactions energy: -2010.961
where: short stacking energy: -795.607
Base-Backbone interact. energy: -4.887
local terms energy: -837.908169
where:
bonds (distance) C4'-P energy: -147.288
bonds (distance) P-C4' energy: -155.857
flat angles C4'-P-C4' energy: -181.240
flat angles P-C4'-P energy: -124.075
tors. eta vs tors. theta energy: -229.448
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: 3, replica: 7
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -2695.935519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.935519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.228439 (E_RNA)
where:
Base-Base interactions energy: -1875.054
where: short stacking energy: -786.617
Base-Backbone interact. energy: -2.853
local terms energy: -819.321618
where:
bonds (distance) C4'-P energy: -157.391
bonds (distance) P-C4' energy: -142.878
flat angles C4'-P-C4' energy: -160.843
flat angles P-C4'-P energy: -133.015
tors. eta vs tors. theta energy: -225.196
Dist. restrs. and SS energy: 1.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -2543.732784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.732784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.411612 (E_RNA)
where:
Base-Base interactions energy: -1758.706
where: short stacking energy: -726.163
Base-Backbone interact. energy: -6.830
local terms energy: -780.875579
where:
bonds (distance) C4'-P energy: -161.909
bonds (distance) P-C4' energy: -133.773
flat angles C4'-P-C4' energy: -162.486
flat angles P-C4'-P energy: -105.032
tors. eta vs tors. theta energy: -217.675
Dist. restrs. and SS energy: 2.679 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -2413.652848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.652848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.750391 (E_RNA)
where:
Base-Base interactions energy: -1665.546
where: short stacking energy: -718.400
Base-Backbone interact. energy: 0.322
local terms energy: -751.527039
where:
bonds (distance) C4'-P energy: -155.567
bonds (distance) P-C4' energy: -135.603
flat angles C4'-P-C4' energy: -161.585
flat angles P-C4'-P energy: -99.296
tors. eta vs tors. theta energy: -199.475
Dist. restrs. and SS energy: 3.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -2302.202213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.202213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.740543 (E_RNA)
where:
Base-Base interactions energy: -1550.703
where: short stacking energy: -655.928
Base-Backbone interact. energy: -3.946
local terms energy: -751.091861
where:
bonds (distance) C4'-P energy: -154.132
bonds (distance) P-C4' energy: -149.155
flat angles C4'-P-C4' energy: -151.304
flat angles P-C4'-P energy: -96.100
tors. eta vs tors. theta energy: -200.400
Dist. restrs. and SS energy: 3.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -2130.238540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.238540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.843751 (E_RNA)
where:
Base-Base interactions energy: -1427.894
where: short stacking energy: -630.506
Base-Backbone interact. energy: -2.837
local terms energy: -703.112189
where:
bonds (distance) C4'-P energy: -143.645
bonds (distance) P-C4' energy: -124.518
flat angles C4'-P-C4' energy: -155.070
flat angles P-C4'-P energy: -99.102
tors. eta vs tors. theta energy: -180.776
Dist. restrs. and SS energy: 3.605 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -2033.928801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.928801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.144288 (E_RNA)
where:
Base-Base interactions energy: -1364.680
where: short stacking energy: -566.051
Base-Backbone interact. energy: 1.856
local terms energy: -673.320351
where:
bonds (distance) C4'-P energy: -122.914
bonds (distance) P-C4' energy: -127.699
flat angles C4'-P-C4' energy: -173.375
flat angles P-C4'-P energy: -98.988
tors. eta vs tors. theta energy: -150.345
Dist. restrs. and SS energy: 2.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -1961.881537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.881537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.528909 (E_RNA)
where:
Base-Base interactions energy: -1342.266
where: short stacking energy: -566.545
Base-Backbone interact. energy: -1.528
local terms energy: -620.734819
where:
bonds (distance) C4'-P energy: -110.173
bonds (distance) P-C4' energy: -137.428
flat angles C4'-P-C4' energy: -145.857
flat angles P-C4'-P energy: -83.951
tors. eta vs tors. theta energy: -143.325
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: 10, replica: 10
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -1781.664845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.664845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.909329 (E_RNA)
where:
Base-Base interactions energy: -1211.443
where: short stacking energy: -509.239
Base-Backbone interact. energy: -1.717
local terms energy: -580.748588
where:
bonds (distance) C4'-P energy: -122.072
bonds (distance) P-C4' energy: -121.263
flat angles C4'-P-C4' energy: -137.032
flat angles P-C4'-P energy: -80.751
tors. eta vs tors. theta energy: -119.631
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: 1, replica: 9
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -2923.225793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2923.225793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2924.762946 (E_RNA)
where:
Base-Base interactions energy: -2004.471
where: short stacking energy: -847.247
Base-Backbone interact. energy: -2.551
local terms energy: -917.740888
where:
bonds (distance) C4'-P energy: -161.540
bonds (distance) P-C4' energy: -164.500
flat angles C4'-P-C4' energy: -198.188
flat angles P-C4'-P energy: -140.167
tors. eta vs tors. theta energy: -253.346
Dist. restrs. and SS energy: 1.537 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -2870.316391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2870.316391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2872.848630 (E_RNA)
where:
Base-Base interactions energy: -2045.777
where: short stacking energy: -838.695
Base-Backbone interact. energy: -0.931
local terms energy: -826.140194
where:
bonds (distance) C4'-P energy: -146.052
bonds (distance) P-C4' energy: -143.004
flat angles C4'-P-C4' energy: -184.600
flat angles P-C4'-P energy: -115.296
tors. eta vs tors. theta energy: -237.187
Dist. restrs. and SS energy: 2.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -2678.872893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.872893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.649868 (E_RNA)
where:
Base-Base interactions energy: -1845.942
where: short stacking energy: -752.676
Base-Backbone interact. energy: -4.572
local terms energy: -830.135435
where:
bonds (distance) C4'-P energy: -143.097
bonds (distance) P-C4' energy: -161.613
flat angles C4'-P-C4' energy: -186.115
flat angles P-C4'-P energy: -115.057
tors. eta vs tors. theta energy: -224.253
Dist. restrs. and SS energy: 1.777 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -2601.395497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.395497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.209512 (E_RNA)
where:
Base-Base interactions energy: -1798.264
where: short stacking energy: -740.322
Base-Backbone interact. energy: 1.024
local terms energy: -805.970075
where:
bonds (distance) C4'-P energy: -161.109
bonds (distance) P-C4' energy: -155.697
flat angles C4'-P-C4' energy: -149.044
flat angles P-C4'-P energy: -109.748
tors. eta vs tors. theta energy: -230.371
Dist. restrs. and SS energy: 1.814 (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: 6
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -2366.285284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.285284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.976294 (E_RNA)
where:
Base-Base interactions energy: -1618.968
where: short stacking energy: -698.442
Base-Backbone interact. energy: -0.607
local terms energy: -749.401554
where:
bonds (distance) C4'-P energy: -128.955
bonds (distance) P-C4' energy: -140.398
flat angles C4'-P-C4' energy: -176.114
flat angles P-C4'-P energy: -94.532
tors. eta vs tors. theta energy: -209.402
Dist. restrs. and SS energy: 2.691 (S_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: 363
Temperature: 1.150000
Total energy: -2334.624788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.624788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.527962 (E_RNA)
where:
Base-Base interactions energy: -1576.409
where: short stacking energy: -666.414
Base-Backbone interact. energy: 2.105
local terms energy: -763.224040
where:
bonds (distance) C4'-P energy: -150.266
bonds (distance) P-C4' energy: -139.811
flat angles C4'-P-C4' energy: -162.799
flat angles P-C4'-P energy: -111.055
tors. eta vs tors. theta energy: -199.294
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: 7, replica: 3
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -2102.081891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.081891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.079961 (E_RNA)
where:
Base-Base interactions energy: -1421.113
where: short stacking energy: -627.180
Base-Backbone interact. energy: 4.123
local terms energy: -688.089759
where:
bonds (distance) C4'-P energy: -129.154
bonds (distance) P-C4' energy: -144.423
flat angles C4'-P-C4' energy: -158.345
flat angles P-C4'-P energy: -95.242
tors. eta vs tors. theta energy: -160.926
Dist. restrs. and SS energy: 2.998 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -2036.567156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.567156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.174213 (E_RNA)
where:
Base-Base interactions energy: -1340.921
where: short stacking energy: -561.569
Base-Backbone interact. energy: 0.635
local terms energy: -698.888263
where:
bonds (distance) C4'-P energy: -154.758
bonds (distance) P-C4' energy: -144.892
flat angles C4'-P-C4' energy: -151.429
flat angles P-C4'-P energy: -82.125
tors. eta vs tors. theta energy: -165.684
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: 9, replica: 2
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -1997.179720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.179720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.869029 (E_RNA)
where:
Base-Base interactions energy: -1322.599
where: short stacking energy: -562.356
Base-Backbone interact. energy: -1.901
local terms energy: -675.369669
where:
bonds (distance) C4'-P energy: -124.341
bonds (distance) P-C4' energy: -143.527
flat angles C4'-P-C4' energy: -166.868
flat angles P-C4'-P energy: -87.084
tors. eta vs tors. theta energy: -153.550
Dist. restrs. and SS energy: 2.689 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -1757.935460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.935460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.878836 (E_RNA)
where:
Base-Base interactions energy: -1197.735
where: short stacking energy: -515.736
Base-Backbone interact. energy: -1.467
local terms energy: -568.677146
where:
bonds (distance) C4'-P energy: -104.694
bonds (distance) P-C4' energy: -123.545
flat angles C4'-P-C4' energy: -130.292
flat angles P-C4'-P energy: -78.848
tors. eta vs tors. theta energy: -131.298
Dist. restrs. and SS energy: 9.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -2922.545886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2922.545886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2923.668966 (E_RNA)
where:
Base-Base interactions energy: -2045.744
where: short stacking energy: -865.148
Base-Backbone interact. energy: -0.241
local terms energy: -877.683789
where:
bonds (distance) C4'-P energy: -154.469
bonds (distance) P-C4' energy: -152.191
flat angles C4'-P-C4' energy: -191.054
flat angles P-C4'-P energy: -127.779
tors. eta vs tors. theta energy: -252.191
Dist. restrs. and SS energy: 1.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -2841.331953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2841.331953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2843.668868 (E_RNA)
where:
Base-Base interactions energy: -1989.060
where: short stacking energy: -820.236
Base-Backbone interact. energy: 3.540
local terms energy: -858.148858
where:
bonds (distance) C4'-P energy: -150.570
bonds (distance) P-C4' energy: -162.917
flat angles C4'-P-C4' energy: -188.384
flat angles P-C4'-P energy: -122.369
tors. eta vs tors. theta energy: -233.910
Dist. restrs. and SS energy: 2.337 (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: 7
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -2728.160901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.160901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.695457 (E_RNA)
where:
Base-Base interactions energy: -1903.897
where: short stacking energy: -806.033
Base-Backbone interact. energy: -3.364
local terms energy: -822.434472
where:
bonds (distance) C4'-P energy: -146.770
bonds (distance) P-C4' energy: -146.080
flat angles C4'-P-C4' energy: -171.969
flat angles P-C4'-P energy: -120.416
tors. eta vs tors. theta energy: -237.200
Dist. restrs. and SS energy: 1.535 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -2548.623222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.623222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.913446 (E_RNA)
where:
Base-Base interactions energy: -1751.563
where: short stacking energy: -720.801
Base-Backbone interact. energy: -2.866
local terms energy: -795.483869
where:
bonds (distance) C4'-P energy: -135.203
bonds (distance) P-C4' energy: -169.656
flat angles C4'-P-C4' energy: -168.710
flat angles P-C4'-P energy: -107.053
tors. eta vs tors. theta energy: -214.862
Dist. restrs. and SS energy: 1.290 (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: 8
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -2415.555027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.555027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.412066 (E_RNA)
where:
Base-Base interactions energy: -1672.470
where: short stacking energy: -713.824
Base-Backbone interact. energy: -1.534
local terms energy: -743.408415
where:
bonds (distance) C4'-P energy: -132.083
bonds (distance) P-C4' energy: -133.767
flat angles C4'-P-C4' energy: -160.274
flat angles P-C4'-P energy: -110.214
tors. eta vs tors. theta energy: -207.070
Dist. restrs. and SS energy: 1.857 (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: 364
Temperature: 1.150000
Total energy: -2313.878752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.878752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.464999 (E_RNA)
where:
Base-Base interactions energy: -1548.828
where: short stacking energy: -699.400
Base-Backbone interact. energy: 0.275
local terms energy: -767.912807
where:
bonds (distance) C4'-P energy: -134.185
bonds (distance) P-C4' energy: -158.110
flat angles C4'-P-C4' energy: -163.662
flat angles P-C4'-P energy: -100.913
tors. eta vs tors. theta energy: -211.042
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: 7, replica: 3
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -2105.903309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.903309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.601313 (E_RNA)
where:
Base-Base interactions energy: -1394.189
where: short stacking energy: -618.534
Base-Backbone interact. energy: 6.017
local terms energy: -720.429114
where:
bonds (distance) C4'-P energy: -126.479
bonds (distance) P-C4' energy: -145.849
flat angles C4'-P-C4' energy: -167.890
flat angles P-C4'-P energy: -110.087
tors. eta vs tors. theta energy: -170.124
Dist. restrs. and SS energy: 2.698 (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: 1
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -2004.907364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.907364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.456602 (E_RNA)
where:
Base-Base interactions energy: -1369.512
where: short stacking energy: -566.270
Base-Backbone interact. energy: 0.301
local terms energy: -637.246188
where:
bonds (distance) C4'-P energy: -124.107
bonds (distance) P-C4' energy: -129.324
flat angles C4'-P-C4' energy: -139.206
flat angles P-C4'-P energy: -89.699
tors. eta vs tors. theta energy: -154.910
Dist. restrs. and SS energy: 1.549 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -1942.771099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.771099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.978258 (E_RNA)
where:
Base-Base interactions energy: -1308.034
where: short stacking energy: -556.879
Base-Backbone interact. energy: 1.704
local terms energy: -640.648013
where:
bonds (distance) C4'-P energy: -133.009
bonds (distance) P-C4' energy: -114.022
flat angles C4'-P-C4' energy: -146.119
flat angles P-C4'-P energy: -85.825
tors. eta vs tors. theta energy: -161.673
Dist. restrs. and SS energy: 4.207 (S_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: 364
Temperature: 1.350000
Total energy: -1741.299682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.299682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.229083 (E_RNA)
where:
Base-Base interactions energy: -1208.452
where: short stacking energy: -476.615
Base-Backbone interact. energy: -2.640
local terms energy: -538.136949
where:
bonds (distance) C4'-P energy: -106.123
bonds (distance) P-C4' energy: -130.615
flat angles C4'-P-C4' energy: -123.994
flat angles P-C4'-P energy: -72.604
tors. eta vs tors. theta energy: -104.802
Dist. restrs. and SS energy: 7.929 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -2948.151674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2948.151674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2949.377832 (E_RNA)
where:
Base-Base interactions energy: -2040.044
where: short stacking energy: -867.224
Base-Backbone interact. energy: 1.762
local terms energy: -911.096260
where:
bonds (distance) C4'-P energy: -156.622
bonds (distance) P-C4' energy: -170.126
flat angles C4'-P-C4' energy: -196.888
flat angles P-C4'-P energy: -129.277
tors. eta vs tors. theta energy: -258.183
Dist. restrs. and SS energy: 1.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -2841.706820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2841.706820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2842.992887 (E_RNA)
where:
Base-Base interactions energy: -1993.429
where: short stacking energy: -822.647
Base-Backbone interact. energy: 0.435
local terms energy: -849.998935
where:
bonds (distance) C4'-P energy: -162.059
bonds (distance) P-C4' energy: -157.582
flat angles C4'-P-C4' energy: -176.446
flat angles P-C4'-P energy: -121.773
tors. eta vs tors. theta energy: -232.139
Dist. restrs. and SS energy: 1.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -2724.253151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.253151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.962045 (E_RNA)
where:
Base-Base interactions energy: -1937.834
where: short stacking energy: -817.528
Base-Backbone interact. energy: 6.230
local terms energy: -793.358513
where:
bonds (distance) C4'-P energy: -131.997
bonds (distance) P-C4' energy: -128.468
flat angles C4'-P-C4' energy: -169.786
flat angles P-C4'-P energy: -123.794
tors. eta vs tors. theta energy: -239.314
Dist. restrs. and SS energy: 0.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -2574.817607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.817607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.917233 (E_RNA)
where:
Base-Base interactions energy: -1778.696
where: short stacking energy: -757.035
Base-Backbone interact. energy: -1.588
local terms energy: -797.633172
where:
bonds (distance) C4'-P energy: -145.585
bonds (distance) P-C4' energy: -152.921
flat angles C4'-P-C4' energy: -172.417
flat angles P-C4'-P energy: -103.168
tors. eta vs tors. theta energy: -223.542
Dist. restrs. and SS energy: 3.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -2471.136312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.136312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.169740 (E_RNA)
where:
Base-Base interactions energy: -1655.504
where: short stacking energy: -722.958
Base-Backbone interact. energy: -2.294
local terms energy: -815.371872
where:
bonds (distance) C4'-P energy: -155.125
bonds (distance) P-C4' energy: -155.196
flat angles C4'-P-C4' energy: -175.000
flat angles P-C4'-P energy: -112.920
tors. eta vs tors. theta energy: -217.131
Dist. restrs. and SS energy: 2.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -2326.263707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.263707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.315354 (E_RNA)
where:
Base-Base interactions energy: -1566.594
where: short stacking energy: -656.418
Base-Backbone interact. energy: -0.093
local terms energy: -761.628456
where:
bonds (distance) C4'-P energy: -153.528
bonds (distance) P-C4' energy: -163.627
flat angles C4'-P-C4' energy: -158.430
flat angles P-C4'-P energy: -90.631
tors. eta vs tors. theta energy: -195.412
Dist. restrs. and SS energy: 2.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -2117.527206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.527206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.940626 (E_RNA)
where:
Base-Base interactions energy: -1438.507
where: short stacking energy: -640.879
Base-Backbone interact. energy: 4.247
local terms energy: -685.680764
where:
bonds (distance) C4'-P energy: -130.961
bonds (distance) P-C4' energy: -128.322
flat angles C4'-P-C4' energy: -174.825
flat angles P-C4'-P energy: -87.875
tors. eta vs tors. theta energy: -163.698
Dist. restrs. and SS energy: 2.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -2029.583247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.583247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.216561 (E_RNA)
where:
Base-Base interactions energy: -1334.380
where: short stacking energy: -562.355
Base-Backbone interact. energy: -4.924
local terms energy: -691.913385
where:
bonds (distance) C4'-P energy: -127.954
bonds (distance) P-C4' energy: -157.594
flat angles C4'-P-C4' energy: -147.995
flat angles P-C4'-P energy: -105.052
tors. eta vs tors. theta energy: -153.317
Dist. restrs. and SS energy: 1.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -1973.529052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.529052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.698112 (E_RNA)
where:
Base-Base interactions energy: -1332.164
where: short stacking energy: -577.714
Base-Backbone interact. energy: 0.635
local terms energy: -644.168886
where:
bonds (distance) C4'-P energy: -131.897
bonds (distance) P-C4' energy: -128.972
flat angles C4'-P-C4' energy: -142.328
flat angles P-C4'-P energy: -90.406
tors. eta vs tors. theta energy: -150.566
Dist. restrs. and SS energy: 2.169 (S_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: 365
Temperature: 1.350000
Total energy: -1801.071574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.071574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.024144 (E_RNA)
where:
Base-Base interactions energy: -1213.435
where: short stacking energy: -499.013
Base-Backbone interact. energy: 2.118
local terms energy: -599.707346
where:
bonds (distance) C4'-P energy: -131.347
bonds (distance) P-C4' energy: -132.503
flat angles C4'-P-C4' energy: -144.081
flat angles P-C4'-P energy: -81.324
tors. eta vs tors. theta energy: -110.452
Dist. restrs. and SS energy: 9.953 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -2942.515733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2942.515733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2943.585937 (E_RNA)
where:
Base-Base interactions energy: -2044.324
where: short stacking energy: -843.260
Base-Backbone interact. energy: -3.049
local terms energy: -896.213258
where:
bonds (distance) C4'-P energy: -169.506
bonds (distance) P-C4' energy: -170.987
flat angles C4'-P-C4' energy: -184.897
flat angles P-C4'-P energy: -125.309
tors. eta vs tors. theta energy: -245.515
Dist. restrs. and SS energy: 1.070 (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: 4
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -2824.916996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2824.916996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2826.232510 (E_RNA)
where:
Base-Base interactions energy: -2011.457
where: short stacking energy: -823.576
Base-Backbone interact. energy: 1.270
local terms energy: -816.045782
where:
bonds (distance) C4'-P energy: -153.689
bonds (distance) P-C4' energy: -158.790
flat angles C4'-P-C4' energy: -165.729
flat angles P-C4'-P energy: -109.463
tors. eta vs tors. theta energy: -228.375
Dist. restrs. and SS energy: 1.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -2748.652604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2748.652604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.790979 (E_RNA)
where:
Base-Base interactions energy: -1927.873
where: short stacking energy: -793.368
Base-Backbone interact. energy: -4.791
local terms energy: -817.127170
where:
bonds (distance) C4'-P energy: -156.508
bonds (distance) P-C4' energy: -142.699
flat angles C4'-P-C4' energy: -177.113
flat angles P-C4'-P energy: -112.919
tors. eta vs tors. theta energy: -227.889
Dist. restrs. and SS energy: 1.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -2545.436039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.436039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.578276 (E_RNA)
where:
Base-Base interactions energy: -1733.267
where: short stacking energy: -750.975
Base-Backbone interact. energy: -0.235
local terms energy: -815.076003
where:
bonds (distance) C4'-P energy: -149.863
bonds (distance) P-C4' energy: -146.332
flat angles C4'-P-C4' energy: -174.836
flat angles P-C4'-P energy: -112.385
tors. eta vs tors. theta energy: -231.660
Dist. restrs. and SS energy: 3.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -2418.438892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.438892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.443721 (E_RNA)
where:
Base-Base interactions energy: -1647.833
where: short stacking energy: -720.199
Base-Backbone interact. energy: -0.566
local terms energy: -772.044546
where:
bonds (distance) C4'-P energy: -153.139
bonds (distance) P-C4' energy: -131.328
flat angles C4'-P-C4' energy: -174.977
flat angles P-C4'-P energy: -118.703
tors. eta vs tors. theta energy: -193.897
Dist. restrs. and SS energy: 2.005 (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: 6
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -2247.942510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.942510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.363577 (E_RNA)
where:
Base-Base interactions energy: -1548.857
where: short stacking energy: -674.573
Base-Backbone interact. energy: -1.220
local terms energy: -699.286271
where:
bonds (distance) C4'-P energy: -131.341
bonds (distance) P-C4' energy: -123.937
flat angles C4'-P-C4' energy: -167.533
flat angles P-C4'-P energy: -92.946
tors. eta vs tors. theta energy: -183.530
Dist. restrs. and SS energy: 1.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -2094.636942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.636942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.495556 (E_RNA)
where:
Base-Base interactions energy: -1404.625
where: short stacking energy: -612.804
Base-Backbone interact. energy: 0.507
local terms energy: -694.377380
where:
bonds (distance) C4'-P energy: -136.947
bonds (distance) P-C4' energy: -145.274
flat angles C4'-P-C4' energy: -156.134
flat angles P-C4'-P energy: -98.334
tors. eta vs tors. theta energy: -157.689
Dist. restrs. and SS energy: 3.859 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -2024.933435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.933435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.288752 (E_RNA)
where:
Base-Base interactions energy: -1368.123
where: short stacking energy: -604.888
Base-Backbone interact. energy: 0.980
local terms energy: -661.146360
where:
bonds (distance) C4'-P energy: -118.546
bonds (distance) P-C4' energy: -136.868
flat angles C4'-P-C4' energy: -154.027
flat angles P-C4'-P energy: -90.666
tors. eta vs tors. theta energy: -161.039
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: 9, replica: 1
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -1945.852479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.852479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.263577 (E_RNA)
where:
Base-Base interactions energy: -1308.504
where: short stacking energy: -563.125
Base-Backbone interact. energy: 3.314
local terms energy: -643.074029
where:
bonds (distance) C4'-P energy: -136.394
bonds (distance) P-C4' energy: -123.384
flat angles C4'-P-C4' energy: -144.123
flat angles P-C4'-P energy: -83.717
tors. eta vs tors. theta energy: -155.456
Dist. restrs. and SS energy: 2.411 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -1848.258306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.258306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.304889 (E_RNA)
where:
Base-Base interactions energy: -1281.966
where: short stacking energy: -568.250
Base-Backbone interact. energy: 6.172
local terms energy: -582.511470
where:
bonds (distance) C4'-P energy: -107.278
bonds (distance) P-C4' energy: -127.106
flat angles C4'-P-C4' energy: -144.550
flat angles P-C4'-P energy: -74.649
tors. eta vs tors. theta energy: -128.928
Dist. restrs. and SS energy: 10.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -2972.022866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2972.022866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2973.364899 (E_RNA)
where:
Base-Base interactions energy: -2062.748
where: short stacking energy: -865.133
Base-Backbone interact. energy: -2.702
local terms energy: -907.915579
where:
bonds (distance) C4'-P energy: -158.173
bonds (distance) P-C4' energy: -170.691
flat angles C4'-P-C4' energy: -196.304
flat angles P-C4'-P energy: -134.891
tors. eta vs tors. theta energy: -247.857
Dist. restrs. and SS energy: 1.342 (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: 4
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -2841.745609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2841.745609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2842.823175 (E_RNA)
where:
Base-Base interactions energy: -2021.634
where: short stacking energy: -823.122
Base-Backbone interact. energy: -3.693
local terms energy: -817.495932
where:
bonds (distance) C4'-P energy: -163.439
bonds (distance) P-C4' energy: -136.128
flat angles C4'-P-C4' energy: -178.474
flat angles P-C4'-P energy: -109.233
tors. eta vs tors. theta energy: -230.222
Dist. restrs. and SS energy: 1.078 (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: 7
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -2784.244128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.244128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2785.964555 (E_RNA)
where:
Base-Base interactions energy: -1923.403
where: short stacking energy: -803.247
Base-Backbone interact. energy: -0.590
local terms energy: -861.971451
where:
bonds (distance) C4'-P energy: -155.580
bonds (distance) P-C4' energy: -160.745
flat angles C4'-P-C4' energy: -187.457
flat angles P-C4'-P energy: -114.356
tors. eta vs tors. theta energy: -243.834
Dist. restrs. and SS energy: 1.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -2600.527490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.527490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.787101 (E_RNA)
where:
Base-Base interactions energy: -1796.507
where: short stacking energy: -741.902
Base-Backbone interact. energy: -2.491
local terms energy: -803.789000
where:
bonds (distance) C4'-P energy: -141.474
bonds (distance) P-C4' energy: -153.313
flat angles C4'-P-C4' energy: -165.209
flat angles P-C4'-P energy: -110.334
tors. eta vs tors. theta energy: -233.459
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: 5, replica: 8
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -2425.441409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.441409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.083578 (E_RNA)
where:
Base-Base interactions energy: -1672.699
where: short stacking energy: -723.540
Base-Backbone interact. energy: 1.098
local terms energy: -755.482794
where:
bonds (distance) C4'-P energy: -131.521
bonds (distance) P-C4' energy: -149.809
flat angles C4'-P-C4' energy: -163.276
flat angles P-C4'-P energy: -99.578
tors. eta vs tors. theta energy: -211.300
Dist. restrs. and SS energy: 1.642 (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: 367
Temperature: 1.150000
Total energy: -2258.929266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.929266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.271543 (E_RNA)
where:
Base-Base interactions energy: -1544.136
where: short stacking energy: -647.615
Base-Backbone interact. energy: -0.492
local terms energy: -716.643232
where:
bonds (distance) C4'-P energy: -136.829
bonds (distance) P-C4' energy: -138.722
flat angles C4'-P-C4' energy: -155.715
flat angles P-C4'-P energy: -101.394
tors. eta vs tors. theta energy: -183.983
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: 7, replica: 3
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -2077.097516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.097516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.616982 (E_RNA)
where:
Base-Base interactions energy: -1391.370
where: short stacking energy: -579.442
Base-Backbone interact. energy: -0.908
local terms energy: -688.338671
where:
bonds (distance) C4'-P energy: -146.945
bonds (distance) P-C4' energy: -142.919
flat angles C4'-P-C4' energy: -151.113
flat angles P-C4'-P energy: -95.133
tors. eta vs tors. theta energy: -152.228
Dist. restrs. and SS energy: 3.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -2062.040817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.040817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.894646 (E_RNA)
where:
Base-Base interactions energy: -1425.367
where: short stacking energy: -598.997
Base-Backbone interact. energy: 1.508
local terms energy: -642.035975
where:
bonds (distance) C4'-P energy: -112.478
bonds (distance) P-C4' energy: -109.960
flat angles C4'-P-C4' energy: -152.664
flat angles P-C4'-P energy: -103.185
tors. eta vs tors. theta energy: -163.749
Dist. restrs. and SS energy: 3.854 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -1958.943323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.943323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.313252 (E_RNA)
where:
Base-Base interactions energy: -1339.740
where: short stacking energy: -534.878
Base-Backbone interact. energy: 6.854
local terms energy: -631.426802
where:
bonds (distance) C4'-P energy: -131.423
bonds (distance) P-C4' energy: -117.967
flat angles C4'-P-C4' energy: -151.476
flat angles P-C4'-P energy: -84.442
tors. eta vs tors. theta energy: -146.119
Dist. restrs. and SS energy: 5.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -1871.847202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.847202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.536278 (E_RNA)
where:
Base-Base interactions energy: -1293.585
where: short stacking energy: -543.931
Base-Backbone interact. energy: 0.393
local terms energy: -586.344706
where:
bonds (distance) C4'-P energy: -98.311
bonds (distance) P-C4' energy: -126.221
flat angles C4'-P-C4' energy: -151.516
flat angles P-C4'-P energy: -78.941
tors. eta vs tors. theta energy: -131.356
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: 1, replica: 9
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -2973.394341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2973.394341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2974.298883 (E_RNA)
where:
Base-Base interactions energy: -2055.363
where: short stacking energy: -871.382
Base-Backbone interact. energy: -4.985
local terms energy: -913.950772
where:
bonds (distance) C4'-P energy: -148.101
bonds (distance) P-C4' energy: -177.437
flat angles C4'-P-C4' energy: -196.233
flat angles P-C4'-P energy: -133.760
tors. eta vs tors. theta energy: -258.421
Dist. restrs. and SS energy: 0.905 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -2850.082735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2850.082735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2851.082467 (E_RNA)
where:
Base-Base interactions energy: -2027.270
where: short stacking energy: -816.855
Base-Backbone interact. energy: -3.741
local terms energy: -820.071621
where:
bonds (distance) C4'-P energy: -160.390
bonds (distance) P-C4' energy: -150.493
flat angles C4'-P-C4' energy: -179.180
flat angles P-C4'-P energy: -98.294
tors. eta vs tors. theta energy: -231.715
Dist. restrs. and SS energy: 1.000 (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: 7
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -2746.730624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.730624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.218787 (E_RNA)
where:
Base-Base interactions energy: -1917.400
where: short stacking energy: -794.565
Base-Backbone interact. energy: -6.519
local terms energy: -824.299166
where:
bonds (distance) C4'-P energy: -151.938
bonds (distance) P-C4' energy: -152.056
flat angles C4'-P-C4' energy: -176.158
flat angles P-C4'-P energy: -118.030
tors. eta vs tors. theta energy: -226.117
Dist. restrs. and SS energy: 1.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -2625.755898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.755898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.098847 (E_RNA)
where:
Base-Base interactions energy: -1789.515
where: short stacking energy: -772.845
Base-Backbone interact. energy: 3.929
local terms energy: -842.512180
where:
bonds (distance) C4'-P energy: -160.858
bonds (distance) P-C4' energy: -136.640
flat angles C4'-P-C4' energy: -191.134
flat angles P-C4'-P energy: -120.271
tors. eta vs tors. theta energy: -233.609
Dist. restrs. and SS energy: 2.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -2387.246336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.246336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.577640 (E_RNA)
where:
Base-Base interactions energy: -1620.527
where: short stacking energy: -679.371
Base-Backbone interact. energy: -0.689
local terms energy: -767.361597
where:
bonds (distance) C4'-P energy: -155.349
bonds (distance) P-C4' energy: -150.798
flat angles C4'-P-C4' energy: -157.739
flat angles P-C4'-P energy: -102.177
tors. eta vs tors. theta energy: -201.299
Dist. restrs. and SS energy: 1.331 (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: 6
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -2292.567795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.567795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.147859 (E_RNA)
where:
Base-Base interactions energy: -1580.831
where: short stacking energy: -681.560
Base-Backbone interact. energy: -0.417
local terms energy: -713.899945
where:
bonds (distance) C4'-P energy: -126.000
bonds (distance) P-C4' energy: -116.522
flat angles C4'-P-C4' energy: -170.162
flat angles P-C4'-P energy: -109.526
tors. eta vs tors. theta energy: -191.690
Dist. restrs. and SS energy: 2.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -2048.242988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.242988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.637154 (E_RNA)
where:
Base-Base interactions energy: -1358.385
where: short stacking energy: -554.613
Base-Backbone interact. energy: 1.242
local terms energy: -693.493941
where:
bonds (distance) C4'-P energy: -139.160
bonds (distance) P-C4' energy: -149.646
flat angles C4'-P-C4' energy: -149.936
flat angles P-C4'-P energy: -106.164
tors. eta vs tors. theta energy: -148.588
Dist. restrs. and SS energy: 2.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -2036.785247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.785247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.904871 (E_RNA)
where:
Base-Base interactions energy: -1333.464
where: short stacking energy: -571.592
Base-Backbone interact. energy: -3.225
local terms energy: -703.215756
where:
bonds (distance) C4'-P energy: -141.956
bonds (distance) P-C4' energy: -136.088
flat angles C4'-P-C4' energy: -157.819
flat angles P-C4'-P energy: -107.845
tors. eta vs tors. theta energy: -159.509
Dist. restrs. and SS energy: 3.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -1945.851273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.851273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.128765 (E_RNA)
where:
Base-Base interactions energy: -1318.410
where: short stacking energy: -568.550
Base-Backbone interact. energy: 6.156
local terms energy: -637.874495
where:
bonds (distance) C4'-P energy: -131.467
bonds (distance) P-C4' energy: -134.664
flat angles C4'-P-C4' energy: -128.670
flat angles P-C4'-P energy: -89.302
tors. eta vs tors. theta energy: -153.772
Dist. restrs. and SS energy: 4.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -1860.064970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.064970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.693788 (E_RNA)
where:
Base-Base interactions energy: -1261.448
where: short stacking energy: -510.676
Base-Backbone interact. energy: -2.450
local terms energy: -602.795878
where:
bonds (distance) C4'-P energy: -113.635
bonds (distance) P-C4' energy: -135.584
flat angles C4'-P-C4' energy: -131.965
flat angles P-C4'-P energy: -93.443
tors. eta vs tors. theta energy: -128.169
Dist. restrs. and SS energy: 6.629 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -2965.169282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2965.169282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2966.750323 (E_RNA)
where:
Base-Base interactions energy: -2054.221
where: short stacking energy: -862.284
Base-Backbone interact. energy: -3.624
local terms energy: -908.905039
where:
bonds (distance) C4'-P energy: -172.876
bonds (distance) P-C4' energy: -160.281
flat angles C4'-P-C4' energy: -183.862
flat angles P-C4'-P energy: -133.396
tors. eta vs tors. theta energy: -258.490
Dist. restrs. and SS energy: 1.581 (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: 4
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -2867.619238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2867.619238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2869.007956 (E_RNA)
where:
Base-Base interactions energy: -2023.704
where: short stacking energy: -814.012
Base-Backbone interact. energy: 0.714
local terms energy: -846.017410
where:
bonds (distance) C4'-P energy: -153.559
bonds (distance) P-C4' energy: -157.715
flat angles C4'-P-C4' energy: -191.526
flat angles P-C4'-P energy: -119.562
tors. eta vs tors. theta energy: -223.655
Dist. restrs. and SS energy: 1.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -2760.391215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2760.391215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.965815 (E_RNA)
where:
Base-Base interactions energy: -1910.331
where: short stacking energy: -800.712
Base-Backbone interact. energy: -4.159
local terms energy: -846.476152
where:
bonds (distance) C4'-P energy: -154.141
bonds (distance) P-C4' energy: -154.400
flat angles C4'-P-C4' energy: -179.295
flat angles P-C4'-P energy: -118.834
tors. eta vs tors. theta energy: -239.806
Dist. restrs. and SS energy: 0.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -2641.716394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.716394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.449275 (E_RNA)
where:
Base-Base interactions energy: -1832.434
where: short stacking energy: -792.834
Base-Backbone interact. energy: 5.510
local terms energy: -816.525990
where:
bonds (distance) C4'-P energy: -141.731
bonds (distance) P-C4' energy: -145.152
flat angles C4'-P-C4' energy: -176.886
flat angles P-C4'-P energy: -115.752
tors. eta vs tors. theta energy: -237.005
Dist. restrs. and SS energy: 1.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -2397.083206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.083206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.534834 (E_RNA)
where:
Base-Base interactions energy: -1648.208
where: short stacking energy: -694.001
Base-Backbone interact. energy: -2.253
local terms energy: -748.073873
where:
bonds (distance) C4'-P energy: -143.314
bonds (distance) P-C4' energy: -140.777
flat angles C4'-P-C4' energy: -154.929
flat angles P-C4'-P energy: -112.576
tors. eta vs tors. theta energy: -196.478
Dist. restrs. and SS energy: 1.452 (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: 6
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -2252.063429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.063429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.572956 (E_RNA)
where:
Base-Base interactions energy: -1521.864
where: short stacking energy: -663.904
Base-Backbone interact. energy: -2.056
local terms energy: -729.653032
where:
bonds (distance) C4'-P energy: -131.449
bonds (distance) P-C4' energy: -129.882
flat angles C4'-P-C4' energy: -165.223
flat angles P-C4'-P energy: -103.489
tors. eta vs tors. theta energy: -199.610
Dist. restrs. and SS energy: 1.510 (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: 3
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -2099.672660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.672660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.465548 (E_RNA)
where:
Base-Base interactions energy: -1428.725
where: short stacking energy: -616.506
Base-Backbone interact. energy: -0.509
local terms energy: -673.232454
where:
bonds (distance) C4'-P energy: -132.832
bonds (distance) P-C4' energy: -142.953
flat angles C4'-P-C4' energy: -147.858
flat angles P-C4'-P energy: -88.524
tors. eta vs tors. theta energy: -161.065
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: 8, replica: 2
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -2088.812424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.812424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.416537 (E_RNA)
where:
Base-Base interactions energy: -1411.528
where: short stacking energy: -606.814
Base-Backbone interact. energy: -5.000
local terms energy: -675.888524
where:
bonds (distance) C4'-P energy: -130.050
bonds (distance) P-C4' energy: -126.928
flat angles C4'-P-C4' energy: -150.096
flat angles P-C4'-P energy: -99.856
tors. eta vs tors. theta energy: -168.959
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: 9, replica: 1
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -1939.467239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.467239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.560465 (E_RNA)
where:
Base-Base interactions energy: -1306.201
where: short stacking energy: -544.225
Base-Backbone interact. energy: 4.591
local terms energy: -640.949749
where:
bonds (distance) C4'-P energy: -121.361
bonds (distance) P-C4' energy: -149.749
flat angles C4'-P-C4' energy: -143.863
flat angles P-C4'-P energy: -81.414
tors. eta vs tors. theta energy: -144.562
Dist. restrs. and SS energy: 3.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -1828.977567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.977567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.780058 (E_RNA)
where:
Base-Base interactions energy: -1228.268
where: short stacking energy: -525.676
Base-Backbone interact. energy: 2.791
local terms energy: -617.302858
where:
bonds (distance) C4'-P energy: -144.826
bonds (distance) P-C4' energy: -120.249
flat angles C4'-P-C4' energy: -138.765
flat angles P-C4'-P energy: -85.799
tors. eta vs tors. theta energy: -127.663
Dist. restrs. and SS energy: 13.802 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -2987.952235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2987.952235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2989.155064 (E_RNA)
where:
Base-Base interactions energy: -2071.491
where: short stacking energy: -878.437
Base-Backbone interact. energy: 0.019
local terms energy: -917.682602
where:
bonds (distance) C4'-P energy: -161.769
bonds (distance) P-C4' energy: -165.180
flat angles C4'-P-C4' energy: -200.135
flat angles P-C4'-P energy: -134.006
tors. eta vs tors. theta energy: -256.592
Dist. restrs. and SS energy: 1.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -2898.481441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2898.481441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2900.147874 (E_RNA)
where:
Base-Base interactions energy: -2042.055
where: short stacking energy: -823.755
Base-Backbone interact. energy: -3.734
local terms energy: -854.359619
where:
bonds (distance) C4'-P energy: -137.267
bonds (distance) P-C4' energy: -175.646
flat angles C4'-P-C4' energy: -183.914
flat angles P-C4'-P energy: -130.151
tors. eta vs tors. theta energy: -227.381
Dist. restrs. and SS energy: 1.666 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -2704.583847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.583847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.029059 (E_RNA)
where:
Base-Base interactions energy: -1852.816
where: short stacking energy: -792.172
Base-Backbone interact. energy: -2.613
local terms energy: -851.599881
where:
bonds (distance) C4'-P energy: -159.318
bonds (distance) P-C4' energy: -152.557
flat angles C4'-P-C4' energy: -175.301
flat angles P-C4'-P energy: -126.454
tors. eta vs tors. theta energy: -237.970
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: 5
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -2624.952776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.952776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.146657 (E_RNA)
where:
Base-Base interactions energy: -1825.819
where: short stacking energy: -767.095
Base-Backbone interact. energy: 2.849
local terms energy: -806.177294
where:
bonds (distance) C4'-P energy: -139.148
bonds (distance) P-C4' energy: -146.440
flat angles C4'-P-C4' energy: -172.774
flat angles P-C4'-P energy: -117.241
tors. eta vs tors. theta energy: -230.574
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: 5, replica: 8
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -2376.399684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.399684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.292046 (E_RNA)
where:
Base-Base interactions energy: -1632.335
where: short stacking energy: -716.109
Base-Backbone interact. energy: 0.827
local terms energy: -746.784081
where:
bonds (distance) C4'-P energy: -142.699
bonds (distance) P-C4' energy: -147.076
flat angles C4'-P-C4' energy: -168.581
flat angles P-C4'-P energy: -96.322
tors. eta vs tors. theta energy: -192.106
Dist. restrs. and SS energy: 1.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -2199.322970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.322970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.360414 (E_RNA)
where:
Base-Base interactions energy: -1454.251
where: short stacking energy: -622.432
Base-Backbone interact. energy: -5.101
local terms energy: -742.009043
where:
bonds (distance) C4'-P energy: -158.007
bonds (distance) P-C4' energy: -121.805
flat angles C4'-P-C4' energy: -163.485
flat angles P-C4'-P energy: -98.997
tors. eta vs tors. theta energy: -199.714
Dist. restrs. and SS energy: 2.037 (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: 3
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -2098.293284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.293284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.160802 (E_RNA)
where:
Base-Base interactions energy: -1439.906
where: short stacking energy: -596.986
Base-Backbone interact. energy: -0.456
local terms energy: -659.798560
where:
bonds (distance) C4'-P energy: -136.082
bonds (distance) P-C4' energy: -138.655
flat angles C4'-P-C4' energy: -138.451
flat angles P-C4'-P energy: -90.627
tors. eta vs tors. theta energy: -155.985
Dist. restrs. and SS energy: 1.868 (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: 2
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -2025.811841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.811841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.426454 (E_RNA)
where:
Base-Base interactions energy: -1366.918
where: short stacking energy: -578.871
Base-Backbone interact. energy: 0.143
local terms energy: -660.652096
where:
bonds (distance) C4'-P energy: -146.242
bonds (distance) P-C4' energy: -117.849
flat angles C4'-P-C4' energy: -153.579
flat angles P-C4'-P energy: -89.513
tors. eta vs tors. theta energy: -153.469
Dist. restrs. and SS energy: 1.615 (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: 1
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -1919.455915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.455915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.226550 (E_RNA)
where:
Base-Base interactions energy: -1265.114
where: short stacking energy: -521.117
Base-Backbone interact. energy: -0.406
local terms energy: -657.706295
where:
bonds (distance) C4'-P energy: -148.105
bonds (distance) P-C4' energy: -141.586
flat angles C4'-P-C4' energy: -132.350
flat angles P-C4'-P energy: -100.755
tors. eta vs tors. theta energy: -134.911
Dist. restrs. and SS energy: 3.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -1795.692503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.692503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.923989 (E_RNA)
where:
Base-Base interactions energy: -1262.970
where: short stacking energy: -537.958
Base-Backbone interact. energy: 4.278
local terms energy: -547.231724
where:
bonds (distance) C4'-P energy: -131.126
bonds (distance) P-C4' energy: -101.397
flat angles C4'-P-C4' energy: -125.676
flat angles P-C4'-P energy: -73.517
tors. eta vs tors. theta energy: -115.516
Dist. restrs. and SS energy: 10.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -2967.817981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2967.817981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2968.690808 (E_RNA)
where:
Base-Base interactions energy: -2057.632
where: short stacking energy: -859.722
Base-Backbone interact. energy: -2.079
local terms energy: -908.979552
where:
bonds (distance) C4'-P energy: -170.894
bonds (distance) P-C4' energy: -158.804
flat angles C4'-P-C4' energy: -185.905
flat angles P-C4'-P energy: -129.273
tors. eta vs tors. theta energy: -264.104
Dist. restrs. and SS energy: 0.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -2855.766629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2855.766629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2857.163377 (E_RNA)
where:
Base-Base interactions energy: -2006.091
where: short stacking energy: -812.346
Base-Backbone interact. energy: -3.319
local terms energy: -847.752877
where:
bonds (distance) C4'-P energy: -150.357
bonds (distance) P-C4' energy: -164.465
flat angles C4'-P-C4' energy: -182.866
flat angles P-C4'-P energy: -116.013
tors. eta vs tors. theta energy: -234.051
Dist. restrs. and SS energy: 1.397 (S_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: 371
Temperature: 1.000000
Total energy: -2717.218886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.218886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.301035 (E_RNA)
where:
Base-Base interactions energy: -1894.205
where: short stacking energy: -791.173
Base-Backbone interact. energy: 1.937
local terms energy: -826.032471
where:
bonds (distance) C4'-P energy: -157.398
bonds (distance) P-C4' energy: -138.316
flat angles C4'-P-C4' energy: -160.586
flat angles P-C4'-P energy: -134.557
tors. eta vs tors. theta energy: -235.176
Dist. restrs. and SS energy: 1.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -2630.102884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.102884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.444139 (E_RNA)
where:
Base-Base interactions energy: -1818.820
where: short stacking energy: -771.196
Base-Backbone interact. energy: -1.281
local terms energy: -813.343446
where:
bonds (distance) C4'-P energy: -145.830
bonds (distance) P-C4' energy: -137.230
flat angles C4'-P-C4' energy: -178.613
flat angles P-C4'-P energy: -120.130
tors. eta vs tors. theta energy: -231.541
Dist. restrs. and SS energy: 3.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -2395.444433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.444433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.519932 (E_RNA)
where:
Base-Base interactions energy: -1667.376
where: short stacking energy: -699.688
Base-Backbone interact. energy: 2.522
local terms energy: -732.666424
where:
bonds (distance) C4'-P energy: -130.649
bonds (distance) P-C4' energy: -151.945
flat angles C4'-P-C4' energy: -157.015
flat angles P-C4'-P energy: -105.153
tors. eta vs tors. theta energy: -187.906
Dist. restrs. and SS energy: 2.075 (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: 371
Temperature: 1.150000
Total energy: -2271.396738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.396738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.855830 (E_RNA)
where:
Base-Base interactions energy: -1529.030
where: short stacking energy: -669.549
Base-Backbone interact. energy: 2.835
local terms energy: -747.660454
where:
bonds (distance) C4'-P energy: -133.894
bonds (distance) P-C4' energy: -152.662
flat angles C4'-P-C4' energy: -155.754
flat angles P-C4'-P energy: -107.992
tors. eta vs tors. theta energy: -197.358
Dist. restrs. and SS energy: 2.459 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -2126.956404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.956404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.351743 (E_RNA)
where:
Base-Base interactions energy: -1408.587
where: short stacking energy: -626.277
Base-Backbone interact. energy: -2.032
local terms energy: -718.733005
where:
bonds (distance) C4'-P energy: -148.334
bonds (distance) P-C4' energy: -131.407
flat angles C4'-P-C4' energy: -154.892
flat angles P-C4'-P energy: -108.110
tors. eta vs tors. theta energy: -175.989
Dist. restrs. and SS energy: 2.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -1997.892951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.892951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.640499 (E_RNA)
where:
Base-Base interactions energy: -1347.982
where: short stacking energy: -556.158
Base-Backbone interact. energy: 0.193
local terms energy: -652.851673
where:
bonds (distance) C4'-P energy: -134.694
bonds (distance) P-C4' energy: -146.374
flat angles C4'-P-C4' energy: -144.543
flat angles P-C4'-P energy: -87.227
tors. eta vs tors. theta energy: -140.013
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: 9, replica: 1
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -1910.091294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.091294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.620323 (E_RNA)
where:
Base-Base interactions energy: -1300.387
where: short stacking energy: -543.679
Base-Backbone interact. energy: -1.597
local terms energy: -609.635823
where:
bonds (distance) C4'-P energy: -127.002
bonds (distance) P-C4' energy: -122.913
flat angles C4'-P-C4' energy: -141.305
flat angles P-C4'-P energy: -90.866
tors. eta vs tors. theta energy: -127.550
Dist. restrs. and SS energy: 1.529 (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: 10
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -1841.151612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.151612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.828400 (E_RNA)
where:
Base-Base interactions energy: -1247.746
where: short stacking energy: -535.872
Base-Backbone interact. energy: 0.764
local terms energy: -603.845888
where:
bonds (distance) C4'-P energy: -129.839
bonds (distance) P-C4' energy: -145.874
flat angles C4'-P-C4' energy: -125.917
flat angles P-C4'-P energy: -74.701
tors. eta vs tors. theta energy: -127.514
Dist. restrs. and SS energy: 9.677 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -2908.882086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2908.882086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2910.284306 (E_RNA)
where:
Base-Base interactions energy: -2039.514
where: short stacking energy: -844.120
Base-Backbone interact. energy: 0.062
local terms energy: -870.832257
where:
bonds (distance) C4'-P energy: -162.699
bonds (distance) P-C4' energy: -157.057
flat angles C4'-P-C4' energy: -187.007
flat angles P-C4'-P energy: -122.189
tors. eta vs tors. theta energy: -241.880
Dist. restrs. and SS energy: 1.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -2945.974743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2945.974743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2948.154035 (E_RNA)
where:
Base-Base interactions energy: -2060.958
where: short stacking energy: -845.462
Base-Backbone interact. energy: -3.213
local terms energy: -883.983163
where:
bonds (distance) C4'-P energy: -146.964
bonds (distance) P-C4' energy: -159.583
flat angles C4'-P-C4' energy: -188.449
flat angles P-C4'-P energy: -134.575
tors. eta vs tors. theta energy: -254.413
Dist. restrs. and SS energy: 2.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -2746.408258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.408258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.161378 (E_RNA)
where:
Base-Base interactions energy: -1881.521
where: short stacking energy: -806.254
Base-Backbone interact. energy: 0.782
local terms energy: -867.422712
where:
bonds (distance) C4'-P energy: -161.978
bonds (distance) P-C4' energy: -151.332
flat angles C4'-P-C4' energy: -194.247
flat angles P-C4'-P energy: -127.694
tors. eta vs tors. theta energy: -232.172
Dist. restrs. and SS energy: 1.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -2586.039279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.039279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.379399 (E_RNA)
where:
Base-Base interactions energy: -1750.374
where: short stacking energy: -723.996
Base-Backbone interact. energy: -0.646
local terms energy: -837.359800
where:
bonds (distance) C4'-P energy: -162.090
bonds (distance) P-C4' energy: -146.927
flat angles C4'-P-C4' energy: -177.943
flat angles P-C4'-P energy: -120.455
tors. eta vs tors. theta energy: -229.945
Dist. restrs. and SS energy: 2.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -2402.798867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.798867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.261584 (E_RNA)
where:
Base-Base interactions energy: -1630.280
where: short stacking energy: -703.106
Base-Backbone interact. energy: 3.880
local terms energy: -778.861543
where:
bonds (distance) C4'-P energy: -151.544
bonds (distance) P-C4' energy: -152.146
flat angles C4'-P-C4' energy: -170.824
flat angles P-C4'-P energy: -120.943
tors. eta vs tors. theta energy: -183.405
Dist. restrs. and SS energy: 2.463 (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: 6
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -2265.821203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.821203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.277913 (E_RNA)
where:
Base-Base interactions energy: -1553.755
where: short stacking energy: -663.783
Base-Backbone interact. energy: 2.171
local terms energy: -715.693585
where:
bonds (distance) C4'-P energy: -125.165
bonds (distance) P-C4' energy: -150.801
flat angles C4'-P-C4' energy: -167.575
flat angles P-C4'-P energy: -87.531
tors. eta vs tors. theta energy: -184.621
Dist. restrs. and SS energy: 1.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -2118.295228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.295228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.977693 (E_RNA)
where:
Base-Base interactions energy: -1442.942
where: short stacking energy: -623.000
Base-Backbone interact. energy: -0.336
local terms energy: -677.700156
where:
bonds (distance) C4'-P energy: -110.191
bonds (distance) P-C4' energy: -147.525
flat angles C4'-P-C4' energy: -163.778
flat angles P-C4'-P energy: -95.645
tors. eta vs tors. theta energy: -160.561
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: 8, replica: 2
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -2000.152591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.152591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.310376 (E_RNA)
where:
Base-Base interactions energy: -1330.434
where: short stacking energy: -555.997
Base-Backbone interact. energy: -2.661
local terms energy: -670.215903
where:
bonds (distance) C4'-P energy: -143.641
bonds (distance) P-C4' energy: -138.642
flat angles C4'-P-C4' energy: -135.692
flat angles P-C4'-P energy: -98.518
tors. eta vs tors. theta energy: -153.723
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: 9, replica: 1
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -1952.726363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.726363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.731505 (E_RNA)
where:
Base-Base interactions energy: -1328.045
where: short stacking energy: -540.311
Base-Backbone interact. energy: 0.016
local terms energy: -627.701939
where:
bonds (distance) C4'-P energy: -133.580
bonds (distance) P-C4' energy: -130.045
flat angles C4'-P-C4' energy: -143.270
flat angles P-C4'-P energy: -67.421
tors. eta vs tors. theta energy: -153.386
Dist. restrs. and SS energy: 3.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -1820.077713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.077713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.111990 (E_RNA)
where:
Base-Base interactions energy: -1245.795
where: short stacking energy: -524.224
Base-Backbone interact. energy: 4.080
local terms energy: -584.397401
where:
bonds (distance) C4'-P energy: -116.065
bonds (distance) P-C4' energy: -125.244
flat angles C4'-P-C4' energy: -136.150
flat angles P-C4'-P energy: -89.119
tors. eta vs tors. theta energy: -117.819
Dist. restrs. and SS energy: 6.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -2925.789832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2925.789832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2927.302417 (E_RNA)
where:
Base-Base interactions energy: -2036.051
where: short stacking energy: -846.115
Base-Backbone interact. energy: -4.500
local terms energy: -886.751515
where:
bonds (distance) C4'-P energy: -158.369
bonds (distance) P-C4' energy: -166.290
flat angles C4'-P-C4' energy: -193.866
flat angles P-C4'-P energy: -133.076
tors. eta vs tors. theta energy: -235.150
Dist. restrs. and SS energy: 1.513 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -2921.863369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2921.863369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2923.233492 (E_RNA)
where:
Base-Base interactions energy: -2012.741
where: short stacking energy: -841.175
Base-Backbone interact. energy: -0.389
local terms energy: -910.103713
where:
bonds (distance) C4'-P energy: -174.604
bonds (distance) P-C4' energy: -163.222
flat angles C4'-P-C4' energy: -187.391
flat angles P-C4'-P energy: -135.483
tors. eta vs tors. theta energy: -249.404
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: 3, replica: 7
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -2697.302901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.302901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.025442 (E_RNA)
where:
Base-Base interactions energy: -1885.572
where: short stacking energy: -755.757
Base-Backbone interact. energy: 2.321
local terms energy: -815.773888
where:
bonds (distance) C4'-P energy: -138.645
bonds (distance) P-C4' energy: -168.297
flat angles C4'-P-C4' energy: -170.742
flat angles P-C4'-P energy: -122.741
tors. eta vs tors. theta energy: -215.350
Dist. restrs. and SS energy: 1.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -2617.942350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.942350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.206828 (E_RNA)
where:
Base-Base interactions energy: -1802.657
where: short stacking energy: -743.304
Base-Backbone interact. energy: -1.736
local terms energy: -814.813834
where:
bonds (distance) C4'-P energy: -144.635
bonds (distance) P-C4' energy: -155.026
flat angles C4'-P-C4' energy: -177.373
flat angles P-C4'-P energy: -109.598
tors. eta vs tors. theta energy: -228.181
Dist. restrs. and SS energy: 1.264 (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: 8
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -2380.635116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.635116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.945968 (E_RNA)
where:
Base-Base interactions energy: -1651.963
where: short stacking energy: -700.254
Base-Backbone interact. energy: -3.242
local terms energy: -727.741232
where:
bonds (distance) C4'-P energy: -133.328
bonds (distance) P-C4' energy: -137.938
flat angles C4'-P-C4' energy: -158.566
flat angles P-C4'-P energy: -111.005
tors. eta vs tors. theta energy: -186.903
Dist. restrs. and SS energy: 2.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -2213.685164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.685164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.097801 (E_RNA)
where:
Base-Base interactions energy: -1500.785
where: short stacking energy: -633.511
Base-Backbone interact. energy: 8.525
local terms energy: -723.838102
where:
bonds (distance) C4'-P energy: -137.734
bonds (distance) P-C4' energy: -141.956
flat angles C4'-P-C4' energy: -160.746
flat angles P-C4'-P energy: -92.741
tors. eta vs tors. theta energy: -190.662
Dist. restrs. and SS energy: 2.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -2124.810207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.810207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.366501 (E_RNA)
where:
Base-Base interactions energy: -1443.266
where: short stacking energy: -614.904
Base-Backbone interact. energy: 0.283
local terms energy: -687.383831
where:
bonds (distance) C4'-P energy: -118.763
bonds (distance) P-C4' energy: -134.137
flat angles C4'-P-C4' energy: -171.289
flat angles P-C4'-P energy: -105.070
tors. eta vs tors. theta energy: -158.125
Dist. restrs. and SS energy: 5.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -2051.572939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.572939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.022758 (E_RNA)
where:
Base-Base interactions energy: -1393.283
where: short stacking energy: -596.292
Base-Backbone interact. energy: 4.685
local terms energy: -665.425307
where:
bonds (distance) C4'-P energy: -134.458
bonds (distance) P-C4' energy: -150.337
flat angles C4'-P-C4' energy: -132.466
flat angles P-C4'-P energy: -89.372
tors. eta vs tors. theta energy: -158.792
Dist. restrs. and SS energy: 2.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -1965.600997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.600997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.905118 (E_RNA)
where:
Base-Base interactions energy: -1341.672
where: short stacking energy: -563.548
Base-Backbone interact. energy: -0.431
local terms energy: -626.802056
where:
bonds (distance) C4'-P energy: -105.443
bonds (distance) P-C4' energy: -134.062
flat angles C4'-P-C4' energy: -151.378
flat angles P-C4'-P energy: -83.435
tors. eta vs tors. theta energy: -152.484
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: 10, replica: 10
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -1836.901587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.901587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.243995 (E_RNA)
where:
Base-Base interactions energy: -1250.217
where: short stacking energy: -510.332
Base-Backbone interact. energy: -2.767
local terms energy: -587.259907
where:
bonds (distance) C4'-P energy: -116.411
bonds (distance) P-C4' energy: -106.582
flat angles C4'-P-C4' energy: -137.574
flat angles P-C4'-P energy: -96.364
tors. eta vs tors. theta energy: -130.328
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: 1, replica: 4
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -2908.127552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2908.127552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2909.455560 (E_RNA)
where:
Base-Base interactions energy: -2036.608
where: short stacking energy: -827.809
Base-Backbone interact. energy: 2.275
local terms energy: -875.122080
where:
bonds (distance) C4'-P energy: -167.055
bonds (distance) P-C4' energy: -162.118
flat angles C4'-P-C4' energy: -201.485
flat angles P-C4'-P energy: -114.291
tors. eta vs tors. theta energy: -230.173
Dist. restrs. and SS energy: 1.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -2895.176463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2895.176463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2896.716624 (E_RNA)
where:
Base-Base interactions energy: -2032.230
where: short stacking energy: -850.725
Base-Backbone interact. energy: 0.148
local terms energy: -864.634406
where:
bonds (distance) C4'-P energy: -151.891
bonds (distance) P-C4' energy: -140.814
flat angles C4'-P-C4' energy: -185.530
flat angles P-C4'-P energy: -131.637
tors. eta vs tors. theta energy: -254.762
Dist. restrs. and SS energy: 1.540 (S_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: 374
Temperature: 1.000000
Total energy: -2735.805153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.805153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.811883 (E_RNA)
where:
Base-Base interactions energy: -1908.964
where: short stacking energy: -785.368
Base-Backbone interact. energy: 2.436
local terms energy: -831.284018
where:
bonds (distance) C4'-P energy: -146.374
bonds (distance) P-C4' energy: -145.378
flat angles C4'-P-C4' energy: -187.340
flat angles P-C4'-P energy: -117.819
tors. eta vs tors. theta energy: -234.373
Dist. restrs. and SS energy: 2.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -2573.990026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.990026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.512006 (E_RNA)
where:
Base-Base interactions energy: -1758.252
where: short stacking energy: -752.882
Base-Backbone interact. energy: -3.475
local terms energy: -814.784324
where:
bonds (distance) C4'-P energy: -149.980
bonds (distance) P-C4' energy: -148.601
flat angles C4'-P-C4' energy: -168.620
flat angles P-C4'-P energy: -115.769
tors. eta vs tors. theta energy: -231.816
Dist. restrs. and SS energy: 2.522 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -2398.985532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.985532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.855794 (E_RNA)
where:
Base-Base interactions energy: -1652.791
where: short stacking energy: -719.537
Base-Backbone interact. energy: -0.233
local terms energy: -746.831913
where:
bonds (distance) C4'-P energy: -152.422
bonds (distance) P-C4' energy: -131.746
flat angles C4'-P-C4' energy: -180.980
flat angles P-C4'-P energy: -86.850
tors. eta vs tors. theta energy: -194.833
Dist. restrs. and SS energy: 0.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -2293.496235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.496235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.240129 (E_RNA)
where:
Base-Base interactions energy: -1549.972
where: short stacking energy: -678.806
Base-Backbone interact. energy: -4.398
local terms energy: -740.870184
where:
bonds (distance) C4'-P energy: -126.600
bonds (distance) P-C4' energy: -150.513
flat angles C4'-P-C4' energy: -152.678
flat angles P-C4'-P energy: -113.346
tors. eta vs tors. theta energy: -197.732
Dist. restrs. and SS energy: 1.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -2130.474199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.474199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.751876 (E_RNA)
where:
Base-Base interactions energy: -1422.826
where: short stacking energy: -624.352
Base-Backbone interact. energy: -1.074
local terms energy: -710.852248
where:
bonds (distance) C4'-P energy: -139.008
bonds (distance) P-C4' energy: -149.971
flat angles C4'-P-C4' energy: -148.695
flat angles P-C4'-P energy: -101.182
tors. eta vs tors. theta energy: -171.996
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: 8, replica: 2
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -1963.566699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.566699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.692061 (E_RNA)
where:
Base-Base interactions energy: -1367.199
where: short stacking energy: -565.879
Base-Backbone interact. energy: 7.803
local terms energy: -609.296363
where:
bonds (distance) C4'-P energy: -123.811
bonds (distance) P-C4' energy: -125.156
flat angles C4'-P-C4' energy: -116.572
flat angles P-C4'-P energy: -98.736
tors. eta vs tors. theta energy: -145.022
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: 9, replica: 10
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -1880.788620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.788620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.028431 (E_RNA)
where:
Base-Base interactions energy: -1308.896
where: short stacking energy: -538.537
Base-Backbone interact. energy: -1.887
local terms energy: -575.245455
where:
bonds (distance) C4'-P energy: -111.377
bonds (distance) P-C4' energy: -120.416
flat angles C4'-P-C4' energy: -135.404
flat angles P-C4'-P energy: -72.091
tors. eta vs tors. theta energy: -135.957
Dist. restrs. and SS energy: 5.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -1862.180370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.180370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.771393 (E_RNA)
where:
Base-Base interactions energy: -1261.097
where: short stacking energy: -519.353
Base-Backbone interact. energy: -2.600
local terms energy: -601.074731
where:
bonds (distance) C4'-P energy: -144.497
bonds (distance) P-C4' energy: -112.497
flat angles C4'-P-C4' energy: -128.451
flat angles P-C4'-P energy: -74.487
tors. eta vs tors. theta energy: -141.142
Dist. restrs. and SS energy: 2.591 (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: 4
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -2907.697460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2907.697460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2909.167639 (E_RNA)
where:
Base-Base interactions energy: -2019.921
where: short stacking energy: -814.753
Base-Backbone interact. energy: -5.485
local terms energy: -883.761626
where:
bonds (distance) C4'-P energy: -165.045
bonds (distance) P-C4' energy: -163.703
flat angles C4'-P-C4' energy: -190.640
flat angles P-C4'-P energy: -128.059
tors. eta vs tors. theta energy: -236.314
Dist. restrs. and SS energy: 1.470 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -2905.598466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2905.598466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2907.481755 (E_RNA)
where:
Base-Base interactions energy: -2039.434
where: short stacking energy: -858.452
Base-Backbone interact. energy: -3.749
local terms energy: -864.298337
where:
bonds (distance) C4'-P energy: -166.109
bonds (distance) P-C4' energy: -146.677
flat angles C4'-P-C4' energy: -182.438
flat angles P-C4'-P energy: -118.381
tors. eta vs tors. theta energy: -250.693
Dist. restrs. and SS energy: 1.883 (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: 7
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -2752.185480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2752.185480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.621059 (E_RNA)
where:
Base-Base interactions energy: -1922.518
where: short stacking energy: -785.810
Base-Backbone interact. energy: -7.020
local terms energy: -824.083660
where:
bonds (distance) C4'-P energy: -157.454
bonds (distance) P-C4' energy: -152.647
flat angles C4'-P-C4' energy: -171.281
flat angles P-C4'-P energy: -107.892
tors. eta vs tors. theta energy: -234.810
Dist. restrs. and SS energy: 1.436 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -2613.588442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.588442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.841200 (E_RNA)
where:
Base-Base interactions energy: -1817.003
where: short stacking energy: -772.653
Base-Backbone interact. energy: -1.324
local terms energy: -797.514606
where:
bonds (distance) C4'-P energy: -137.239
bonds (distance) P-C4' energy: -159.157
flat angles C4'-P-C4' energy: -168.108
flat angles P-C4'-P energy: -106.697
tors. eta vs tors. theta energy: -226.314
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: 8
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -2393.446742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.446742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.933735 (E_RNA)
where:
Base-Base interactions energy: -1624.264
where: short stacking energy: -705.750
Base-Backbone interact. energy: -1.758
local terms energy: -769.912303
where:
bonds (distance) C4'-P energy: -146.147
bonds (distance) P-C4' energy: -151.769
flat angles C4'-P-C4' energy: -163.159
flat angles P-C4'-P energy: -102.628
tors. eta vs tors. theta energy: -206.210
Dist. restrs. and SS energy: 2.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -2208.790752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.790752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.230184 (E_RNA)
where:
Base-Base interactions energy: -1463.339
where: short stacking energy: -641.412
Base-Backbone interact. energy: -1.663
local terms energy: -746.227981
where:
bonds (distance) C4'-P energy: -151.441
bonds (distance) P-C4' energy: -142.201
flat angles C4'-P-C4' energy: -160.452
flat angles P-C4'-P energy: -105.962
tors. eta vs tors. theta energy: -186.173
Dist. restrs. and SS energy: 2.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -2116.733293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.733293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.457445 (E_RNA)
where:
Base-Base interactions energy: -1422.712
where: short stacking energy: -629.989
Base-Backbone interact. energy: 0.586
local terms energy: -697.331944
where:
bonds (distance) C4'-P energy: -125.014
bonds (distance) P-C4' energy: -142.887
flat angles C4'-P-C4' energy: -153.704
flat angles P-C4'-P energy: -101.638
tors. eta vs tors. theta energy: -174.089
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: 8, replica: 2
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -2006.915623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.915623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.042780 (E_RNA)
where:
Base-Base interactions energy: -1339.789
where: short stacking energy: -557.323
Base-Backbone interact. energy: -2.933
local terms energy: -667.321069
where:
bonds (distance) C4'-P energy: -153.011
bonds (distance) P-C4' energy: -140.595
flat angles C4'-P-C4' energy: -140.393
flat angles P-C4'-P energy: -89.298
tors. eta vs tors. theta energy: -144.025
Dist. restrs. and SS energy: 3.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -1893.948756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.948756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.876444 (E_RNA)
where:
Base-Base interactions energy: -1253.385
where: short stacking energy: -525.049
Base-Backbone interact. energy: 0.484
local terms energy: -646.974549
where:
bonds (distance) C4'-P energy: -132.193
bonds (distance) P-C4' energy: -143.729
flat angles C4'-P-C4' energy: -137.322
flat angles P-C4'-P energy: -99.243
tors. eta vs tors. theta energy: -134.487
Dist. restrs. and SS energy: 5.928 (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: 1
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -1865.479063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.479063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.722580 (E_RNA)
where:
Base-Base interactions energy: -1282.059
where: short stacking energy: -535.948
Base-Backbone interact. energy: 0.726
local terms energy: -588.389557
where:
bonds (distance) C4'-P energy: -138.570
bonds (distance) P-C4' energy: -120.880
flat angles C4'-P-C4' energy: -127.445
flat angles P-C4'-P energy: -67.927
tors. eta vs tors. theta energy: -133.569
Dist. restrs. and SS energy: 4.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -2947.377274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2947.377274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2949.465567 (E_RNA)
where:
Base-Base interactions energy: -2069.003
where: short stacking energy: -855.634
Base-Backbone interact. energy: 3.167
local terms energy: -883.629403
where:
bonds (distance) C4'-P energy: -159.279
bonds (distance) P-C4' energy: -171.856
flat angles C4'-P-C4' energy: -175.678
flat angles P-C4'-P energy: -135.466
tors. eta vs tors. theta energy: -241.350
Dist. restrs. and SS energy: 2.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -2932.028438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2932.028438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2934.124073 (E_RNA)
where:
Base-Base interactions energy: -2059.012
where: short stacking energy: -858.952
Base-Backbone interact. energy: -1.787
local terms energy: -873.324867
where:
bonds (distance) C4'-P energy: -158.941
bonds (distance) P-C4' energy: -147.456
flat angles C4'-P-C4' energy: -186.724
flat angles P-C4'-P energy: -126.247
tors. eta vs tors. theta energy: -253.957
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: 3, replica: 7
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -2750.378415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2750.378415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2752.308314 (E_RNA)
where:
Base-Base interactions energy: -1911.993
where: short stacking energy: -762.232
Base-Backbone interact. energy: 2.609
local terms energy: -842.924518
where:
bonds (distance) C4'-P energy: -164.834
bonds (distance) P-C4' energy: -147.171
flat angles C4'-P-C4' energy: -178.342
flat angles P-C4'-P energy: -122.939
tors. eta vs tors. theta energy: -229.639
Dist. restrs. and SS energy: 1.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -2569.129527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.129527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.479810 (E_RNA)
where:
Base-Base interactions energy: -1780.489
where: short stacking energy: -738.784
Base-Backbone interact. energy: -1.039
local terms energy: -789.951346
where:
bonds (distance) C4'-P energy: -145.392
bonds (distance) P-C4' energy: -136.979
flat angles C4'-P-C4' energy: -184.942
flat angles P-C4'-P energy: -104.158
tors. eta vs tors. theta energy: -218.481
Dist. restrs. and SS energy: 2.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -2353.764357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.764357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.003227 (E_RNA)
where:
Base-Base interactions energy: -1578.521
where: short stacking energy: -683.956
Base-Backbone interact. energy: -0.193
local terms energy: -777.289908
where:
bonds (distance) C4'-P energy: -150.043
bonds (distance) P-C4' energy: -147.503
flat angles C4'-P-C4' energy: -178.849
flat angles P-C4'-P energy: -107.203
tors. eta vs tors. theta energy: -193.692
Dist. restrs. and SS energy: 2.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -2275.394588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.394588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.095621 (E_RNA)
where:
Base-Base interactions energy: -1529.290
where: short stacking energy: -637.042
Base-Backbone interact. energy: -1.260
local terms energy: -746.545752
where:
bonds (distance) C4'-P energy: -144.526
bonds (distance) P-C4' energy: -151.538
flat angles C4'-P-C4' energy: -169.085
flat angles P-C4'-P energy: -100.373
tors. eta vs tors. theta energy: -181.025
Dist. restrs. and SS energy: 1.701 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -2176.698233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.698233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.693385 (E_RNA)
where:
Base-Base interactions energy: -1483.719
where: short stacking energy: -658.961
Base-Backbone interact. energy: 3.093
local terms energy: -699.067594
where:
bonds (distance) C4'-P energy: -128.546
bonds (distance) P-C4' energy: -138.695
flat angles C4'-P-C4' energy: -162.909
flat angles P-C4'-P energy: -98.161
tors. eta vs tors. theta energy: -170.756
Dist. restrs. and SS energy: 2.995 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -2038.986173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.986173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.810664 (E_RNA)
where:
Base-Base interactions energy: -1374.646
where: short stacking energy: -590.750
Base-Backbone interact. energy: 5.538
local terms energy: -671.702434
where:
bonds (distance) C4'-P energy: -135.600
bonds (distance) P-C4' energy: -142.801
flat angles C4'-P-C4' energy: -159.850
flat angles P-C4'-P energy: -75.654
tors. eta vs tors. theta energy: -157.798
Dist. restrs. and SS energy: 1.824 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -1904.179296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.179296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.301152 (E_RNA)
where:
Base-Base interactions energy: -1299.994
where: short stacking energy: -565.751
Base-Backbone interact. energy: -1.367
local terms energy: -608.940424
where:
bonds (distance) C4'-P energy: -133.424
bonds (distance) P-C4' energy: -115.497
flat angles C4'-P-C4' energy: -146.410
flat angles P-C4'-P energy: -64.393
tors. eta vs tors. theta energy: -149.217
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: 10, replica: 1
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -1880.159581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.159581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.317075 (E_RNA)
where:
Base-Base interactions energy: -1286.748
where: short stacking energy: -540.575
Base-Backbone interact. energy: 2.420
local terms energy: -599.988401
where:
bonds (distance) C4'-P energy: -111.027
bonds (distance) P-C4' energy: -134.495
flat angles C4'-P-C4' energy: -139.125
flat angles P-C4'-P energy: -65.890
tors. eta vs tors. theta energy: -149.451
Dist. restrs. and SS energy: 4.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -2953.699233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2953.699233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2954.775412 (E_RNA)
where:
Base-Base interactions energy: -2069.121
where: short stacking energy: -853.255
Base-Backbone interact. energy: -2.029
local terms energy: -883.625052
where:
bonds (distance) C4'-P energy: -159.362
bonds (distance) P-C4' energy: -172.461
flat angles C4'-P-C4' energy: -197.264
flat angles P-C4'-P energy: -123.103
tors. eta vs tors. theta energy: -231.437
Dist. restrs. and SS energy: 1.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -2894.153109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2894.153109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2894.975519 (E_RNA)
where:
Base-Base interactions energy: -2051.979
where: short stacking energy: -840.025
Base-Backbone interact. energy: -4.304
local terms energy: -838.692074
where:
bonds (distance) C4'-P energy: -159.897
bonds (distance) P-C4' energy: -139.674
flat angles C4'-P-C4' energy: -187.699
flat angles P-C4'-P energy: -104.194
tors. eta vs tors. theta energy: -247.228
Dist. restrs. and SS energy: 0.822 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -2768.664840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2768.664840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.294861 (E_RNA)
where:
Base-Base interactions energy: -1938.017
where: short stacking energy: -800.828
Base-Backbone interact. energy: -1.507
local terms energy: -830.770187
where:
bonds (distance) C4'-P energy: -152.264
bonds (distance) P-C4' energy: -138.208
flat angles C4'-P-C4' energy: -179.211
flat angles P-C4'-P energy: -115.005
tors. eta vs tors. theta energy: -246.082
Dist. restrs. and SS energy: 1.630 (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: 5
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -2623.022492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.022492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.025420 (E_RNA)
where:
Base-Base interactions energy: -1820.445
where: short stacking energy: -757.312
Base-Backbone interact. energy: -1.252
local terms energy: -804.328245
where:
bonds (distance) C4'-P energy: -146.904
bonds (distance) P-C4' energy: -146.750
flat angles C4'-P-C4' energy: -163.874
flat angles P-C4'-P energy: -123.245
tors. eta vs tors. theta energy: -223.555
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: 5, replica: 8
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -2385.481880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.481880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.610191 (E_RNA)
where:
Base-Base interactions energy: -1645.971
where: short stacking energy: -683.432
Base-Backbone interact. energy: -0.783
local terms energy: -741.856739
where:
bonds (distance) C4'-P energy: -136.459
bonds (distance) P-C4' energy: -137.107
flat angles C4'-P-C4' energy: -170.507
flat angles P-C4'-P energy: -105.508
tors. eta vs tors. theta energy: -192.277
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: 6, replica: 6
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -2266.095204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.095204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.983325 (E_RNA)
where:
Base-Base interactions energy: -1519.470
where: short stacking energy: -680.319
Base-Backbone interact. energy: -3.930
local terms energy: -745.583631
where:
bonds (distance) C4'-P energy: -132.887
bonds (distance) P-C4' energy: -148.138
flat angles C4'-P-C4' energy: -167.950
flat angles P-C4'-P energy: -106.702
tors. eta vs tors. theta energy: -189.906
Dist. restrs. and SS energy: 2.888 (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: 3
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -2084.579768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.579768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.761171 (E_RNA)
where:
Base-Base interactions energy: -1397.930
where: short stacking energy: -602.095
Base-Backbone interact. energy: -2.493
local terms energy: -686.338237
where:
bonds (distance) C4'-P energy: -130.780
bonds (distance) P-C4' energy: -136.839
flat angles C4'-P-C4' energy: -146.274
flat angles P-C4'-P energy: -107.628
tors. eta vs tors. theta energy: -164.817
Dist. restrs. and SS energy: 2.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -2052.693611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.693611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.698323 (E_RNA)
where:
Base-Base interactions energy: -1376.233
where: short stacking energy: -602.540
Base-Backbone interact. energy: 2.056
local terms energy: -680.521663
where:
bonds (distance) C4'-P energy: -143.861
bonds (distance) P-C4' energy: -124.838
flat angles C4'-P-C4' energy: -152.596
flat angles P-C4'-P energy: -89.916
tors. eta vs tors. theta energy: -169.310
Dist. restrs. and SS energy: 2.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -1893.847335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.847335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.539576 (E_RNA)
where:
Base-Base interactions energy: -1272.742
where: short stacking energy: -530.068
Base-Backbone interact. energy: -2.397
local terms energy: -625.401245
where:
bonds (distance) C4'-P energy: -136.659
bonds (distance) P-C4' energy: -141.050
flat angles C4'-P-C4' energy: -132.286
flat angles P-C4'-P energy: -89.105
tors. eta vs tors. theta energy: -126.301
Dist. restrs. and SS energy: 6.692 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -1894.517000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.517000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.846451 (E_RNA)
where:
Base-Base interactions energy: -1280.700
where: short stacking energy: -519.961
Base-Backbone interact. energy: -2.728
local terms energy: -613.418707
where:
bonds (distance) C4'-P energy: -116.114
bonds (distance) P-C4' energy: -135.497
flat angles C4'-P-C4' energy: -131.738
flat angles P-C4'-P energy: -92.413
tors. eta vs tors. theta energy: -137.657
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: 1, replica: 9
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -2986.913704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2986.913704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2988.641081 (E_RNA)
where:
Base-Base interactions energy: -2049.899
where: short stacking energy: -850.252
Base-Backbone interact. energy: -4.155
local terms energy: -934.586662
where:
bonds (distance) C4'-P energy: -156.463
bonds (distance) P-C4' energy: -182.350
flat angles C4'-P-C4' energy: -194.477
flat angles P-C4'-P energy: -139.918
tors. eta vs tors. theta energy: -261.379
Dist. restrs. and SS energy: 1.727 (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: 4
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -2868.284806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2868.284806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2870.671041 (E_RNA)
where:
Base-Base interactions energy: -2012.423
where: short stacking energy: -826.689
Base-Backbone interact. energy: -1.131
local terms energy: -857.117065
where:
bonds (distance) C4'-P energy: -153.547
bonds (distance) P-C4' energy: -160.473
flat angles C4'-P-C4' energy: -181.831
flat angles P-C4'-P energy: -125.803
tors. eta vs tors. theta energy: -235.463
Dist. restrs. and SS energy: 2.386 (S_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: 378
Temperature: 1.000000
Total energy: -2744.966525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2744.966525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.763558 (E_RNA)
where:
Base-Base interactions energy: -1904.037
where: short stacking energy: -766.044
Base-Backbone interact. energy: -1.840
local terms energy: -840.887234
where:
bonds (distance) C4'-P energy: -163.481
bonds (distance) P-C4' energy: -156.927
flat angles C4'-P-C4' energy: -175.142
flat angles P-C4'-P energy: -112.201
tors. eta vs tors. theta energy: -233.136
Dist. restrs. and SS energy: 1.797 (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: 5
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -2595.008340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.008340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.780413 (E_RNA)
where:
Base-Base interactions energy: -1785.038
where: short stacking energy: -749.273
Base-Backbone interact. energy: 3.136
local terms energy: -815.878825
where:
bonds (distance) C4'-P energy: -144.439
bonds (distance) P-C4' energy: -146.451
flat angles C4'-P-C4' energy: -185.552
flat angles P-C4'-P energy: -118.021
tors. eta vs tors. theta energy: -221.417
Dist. restrs. and SS energy: 2.772 (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: 8
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -2353.351661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.351661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.666497 (E_RNA)
where:
Base-Base interactions energy: -1589.384
where: short stacking energy: -662.742
Base-Backbone interact. energy: -2.080
local terms energy: -764.202066
where:
bonds (distance) C4'-P energy: -152.355
bonds (distance) P-C4' energy: -150.822
flat angles C4'-P-C4' energy: -157.030
flat angles P-C4'-P energy: -111.598
tors. eta vs tors. theta energy: -192.396
Dist. restrs. and SS energy: 2.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -2252.848659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.848659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.529114 (E_RNA)
where:
Base-Base interactions energy: -1517.125
where: short stacking energy: -658.806
Base-Backbone interact. energy: -0.465
local terms energy: -736.939060
where:
bonds (distance) C4'-P energy: -148.800
bonds (distance) P-C4' energy: -148.627
flat angles C4'-P-C4' energy: -151.760
flat angles P-C4'-P energy: -87.402
tors. eta vs tors. theta energy: -200.350
Dist. restrs. and SS energy: 1.680 (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: 3
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -2080.913444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.913444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.812627 (E_RNA)
where:
Base-Base interactions energy: -1370.561
where: short stacking energy: -588.366
Base-Backbone interact. energy: -2.505
local terms energy: -712.747157
where:
bonds (distance) C4'-P energy: -138.812
bonds (distance) P-C4' energy: -143.077
flat angles C4'-P-C4' energy: -167.900
flat angles P-C4'-P energy: -102.482
tors. eta vs tors. theta energy: -160.476
Dist. restrs. and SS energy: 4.899 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -2050.491989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.491989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.235256 (E_RNA)
where:
Base-Base interactions energy: -1346.880
where: short stacking energy: -575.482
Base-Backbone interact. energy: 2.394
local terms energy: -707.749485
where:
bonds (distance) C4'-P energy: -145.915
bonds (distance) P-C4' energy: -154.535
flat angles C4'-P-C4' energy: -148.960
flat angles P-C4'-P energy: -94.941
tors. eta vs tors. theta energy: -163.399
Dist. restrs. and SS energy: 1.743 (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: 10
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -1958.097882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.097882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.901362 (E_RNA)
where:
Base-Base interactions energy: -1342.920
where: short stacking energy: -572.637
Base-Backbone interact. energy: -5.951
local terms energy: -612.030459
where:
bonds (distance) C4'-P energy: -120.336
bonds (distance) P-C4' energy: -133.599
flat angles C4'-P-C4' energy: -116.991
flat angles P-C4'-P energy: -98.616
tors. eta vs tors. theta energy: -142.489
Dist. restrs. and SS energy: 2.803 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -1908.824273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.824273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.985457 (E_RNA)
where:
Base-Base interactions energy: -1293.078
where: short stacking energy: -563.298
Base-Backbone interact. energy: 0.185
local terms energy: -619.092439
where:
bonds (distance) C4'-P energy: -128.299
bonds (distance) P-C4' energy: -106.607
flat angles C4'-P-C4' energy: -143.052
flat angles P-C4'-P energy: -96.266
tors. eta vs tors. theta energy: -144.868
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: 1, replica: 9
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -2970.606450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2970.606450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2972.689390 (E_RNA)
where:
Base-Base interactions energy: -2060.513
where: short stacking energy: -864.686
Base-Backbone interact. energy: -0.154
local terms energy: -912.022272
where:
bonds (distance) C4'-P energy: -165.592
bonds (distance) P-C4' energy: -177.378
flat angles C4'-P-C4' energy: -192.540
flat angles P-C4'-P energy: -110.136
tors. eta vs tors. theta energy: -266.377
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: 4
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -2854.034693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2854.034693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2856.115925 (E_RNA)
where:
Base-Base interactions energy: -2032.240
where: short stacking energy: -814.993
Base-Backbone interact. energy: -7.160
local terms energy: -816.715496
where:
bonds (distance) C4'-P energy: -156.228
bonds (distance) P-C4' energy: -154.326
flat angles C4'-P-C4' energy: -157.040
flat angles P-C4'-P energy: -122.246
tors. eta vs tors. theta energy: -226.875
Dist. restrs. and SS energy: 2.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -2758.333004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.333004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.484990 (E_RNA)
where:
Base-Base interactions energy: -1919.385
where: short stacking energy: -808.612
Base-Backbone interact. energy: -3.634
local terms energy: -837.466400
where:
bonds (distance) C4'-P energy: -167.978
bonds (distance) P-C4' energy: -157.382
flat angles C4'-P-C4' energy: -165.213
flat angles P-C4'-P energy: -113.871
tors. eta vs tors. theta energy: -233.023
Dist. restrs. and SS energy: 2.152 (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: 5
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -2569.205974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.205974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.532746 (E_RNA)
where:
Base-Base interactions energy: -1791.702
where: short stacking energy: -774.455
Base-Backbone interact. energy: -0.771
local terms energy: -779.060362
where:
bonds (distance) C4'-P energy: -137.419
bonds (distance) P-C4' energy: -135.962
flat angles C4'-P-C4' energy: -171.025
flat angles P-C4'-P energy: -117.324
tors. eta vs tors. theta energy: -217.330
Dist. restrs. and SS energy: 2.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -2348.234245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.234245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.090804 (E_RNA)
where:
Base-Base interactions energy: -1625.117
where: short stacking energy: -665.942
Base-Backbone interact. energy: -0.940
local terms energy: -727.033615
where:
bonds (distance) C4'-P energy: -141.506
bonds (distance) P-C4' energy: -150.362
flat angles C4'-P-C4' energy: -157.316
flat angles P-C4'-P energy: -103.719
tors. eta vs tors. theta energy: -174.131
Dist. restrs. and SS energy: 4.857 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -2238.608539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.608539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.523535 (E_RNA)
where:
Base-Base interactions energy: -1522.033
where: short stacking energy: -643.943
Base-Backbone interact. energy: -5.267
local terms energy: -713.224000
where:
bonds (distance) C4'-P energy: -155.670
bonds (distance) P-C4' energy: -115.644
flat angles C4'-P-C4' energy: -158.628
flat angles P-C4'-P energy: -92.506
tors. eta vs tors. theta energy: -190.777
Dist. restrs. and SS energy: 1.915 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -2040.687045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.687045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.687166 (E_RNA)
where:
Base-Base interactions energy: -1355.917
where: short stacking energy: -594.466
Base-Backbone interact. energy: 2.853
local terms energy: -692.623900
where:
bonds (distance) C4'-P energy: -124.644
bonds (distance) P-C4' energy: -154.254
flat angles C4'-P-C4' energy: -154.991
flat angles P-C4'-P energy: -100.973
tors. eta vs tors. theta energy: -157.762
Dist. restrs. and SS energy: 5.000 (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: 2
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -2026.169066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.169066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.054140 (E_RNA)
where:
Base-Base interactions energy: -1367.637
where: short stacking energy: -593.679
Base-Backbone interact. energy: 0.061
local terms energy: -661.477908
where:
bonds (distance) C4'-P energy: -134.009
bonds (distance) P-C4' energy: -131.679
flat angles C4'-P-C4' energy: -155.565
flat angles P-C4'-P energy: -91.865
tors. eta vs tors. theta energy: -148.360
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: 9, replica: 10
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -1917.530007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.530007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.827798 (E_RNA)
where:
Base-Base interactions energy: -1307.363
where: short stacking energy: -542.555
Base-Backbone interact. energy: 1.401
local terms energy: -613.865339
where:
bonds (distance) C4'-P energy: -142.588
bonds (distance) P-C4' energy: -130.964
flat angles C4'-P-C4' energy: -144.590
flat angles P-C4'-P energy: -74.361
tors. eta vs tors. theta energy: -121.362
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: 10, replica: 1
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -1908.494601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.494601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.182451 (E_RNA)
where:
Base-Base interactions energy: -1302.255
where: short stacking energy: -541.503
Base-Backbone interact. energy: -2.292
local terms energy: -608.635331
where:
bonds (distance) C4'-P energy: -104.214
bonds (distance) P-C4' energy: -145.916
flat angles C4'-P-C4' energy: -157.596
flat angles P-C4'-P energy: -61.228
tors. eta vs tors. theta energy: -139.681
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: 1, replica: 9
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -2982.853117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2982.853117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2983.870988 (E_RNA)
where:
Base-Base interactions energy: -2067.615
where: short stacking energy: -858.223
Base-Backbone interact. energy: -0.469
local terms energy: -915.786680
where:
bonds (distance) C4'-P energy: -168.182
bonds (distance) P-C4' energy: -168.045
flat angles C4'-P-C4' energy: -199.276
flat angles P-C4'-P energy: -122.211
tors. eta vs tors. theta energy: -258.073
Dist. restrs. and SS energy: 1.018 (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: 4
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -2844.564795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2844.564795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2845.958384 (E_RNA)
where:
Base-Base interactions energy: -1991.957
where: short stacking energy: -802.738
Base-Backbone interact. energy: 0.641
local terms energy: -854.642848
where:
bonds (distance) C4'-P energy: -151.266
bonds (distance) P-C4' energy: -158.963
flat angles C4'-P-C4' energy: -189.631
flat angles P-C4'-P energy: -119.074
tors. eta vs tors. theta energy: -235.709
Dist. restrs. and SS energy: 1.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -2773.788179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2773.788179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2775.637087 (E_RNA)
where:
Base-Base interactions energy: -1939.007
where: short stacking energy: -812.374
Base-Backbone interact. energy: -3.929
local terms energy: -832.701616
where:
bonds (distance) C4'-P energy: -153.550
bonds (distance) P-C4' energy: -148.342
flat angles C4'-P-C4' energy: -163.620
flat angles P-C4'-P energy: -126.317
tors. eta vs tors. theta energy: -240.874
Dist. restrs. and SS energy: 1.849 (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: 5
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -2609.890457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.890457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.890159 (E_RNA)
where:
Base-Base interactions energy: -1792.942
where: short stacking energy: -745.473
Base-Backbone interact. energy: -2.767
local terms energy: -818.181973
where:
bonds (distance) C4'-P energy: -160.179
bonds (distance) P-C4' energy: -145.839
flat angles C4'-P-C4' energy: -162.023
flat angles P-C4'-P energy: -123.022
tors. eta vs tors. theta energy: -227.118
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: 5, replica: 8
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -2393.033641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.033641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.251428 (E_RNA)
where:
Base-Base interactions energy: -1631.848
where: short stacking energy: -670.921
Base-Backbone interact. energy: 3.390
local terms energy: -765.794054
where:
bonds (distance) C4'-P energy: -139.102
bonds (distance) P-C4' energy: -150.280
flat angles C4'-P-C4' energy: -167.838
flat angles P-C4'-P energy: -115.451
tors. eta vs tors. theta energy: -193.123
Dist. restrs. and SS energy: 1.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -2221.911878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.911878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.650538 (E_RNA)
where:
Base-Base interactions energy: -1477.936
where: short stacking energy: -626.765
Base-Backbone interact. energy: 0.301
local terms energy: -746.014980
where:
bonds (distance) C4'-P energy: -159.723
bonds (distance) P-C4' energy: -146.117
flat angles C4'-P-C4' energy: -160.141
flat angles P-C4'-P energy: -94.093
tors. eta vs tors. theta energy: -185.941
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: 7, replica: 3
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -2055.041350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.041350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.382632 (E_RNA)
where:
Base-Base interactions energy: -1392.865
where: short stacking energy: -609.669
Base-Backbone interact. energy: -3.790
local terms energy: -661.727506
where:
bonds (distance) C4'-P energy: -138.388
bonds (distance) P-C4' energy: -131.057
flat angles C4'-P-C4' energy: -134.640
flat angles P-C4'-P energy: -90.242
tors. eta vs tors. theta energy: -167.401
Dist. restrs. and SS energy: 3.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -2025.281583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.281583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.890998 (E_RNA)
where:
Base-Base interactions energy: -1395.107
where: short stacking energy: -591.070
Base-Backbone interact. energy: 0.988
local terms energy: -633.771976
where:
bonds (distance) C4'-P energy: -119.267
bonds (distance) P-C4' energy: -129.418
flat angles C4'-P-C4' energy: -134.948
flat angles P-C4'-P energy: -92.810
tors. eta vs tors. theta energy: -157.328
Dist. restrs. and SS energy: 2.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -1941.198903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.198903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.615428 (E_RNA)
where:
Base-Base interactions energy: -1323.063
where: short stacking energy: -565.065
Base-Backbone interact. energy: -0.334
local terms energy: -620.217957
where:
bonds (distance) C4'-P energy: -123.400
bonds (distance) P-C4' energy: -129.427
flat angles C4'-P-C4' energy: -152.792
flat angles P-C4'-P energy: -72.920
tors. eta vs tors. theta energy: -141.679
Dist. restrs. and SS energy: 2.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -1924.056914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.056914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.361292 (E_RNA)
where:
Base-Base interactions energy: -1307.773
where: short stacking energy: -563.158
Base-Backbone interact. energy: 3.785
local terms energy: -623.372560
where:
bonds (distance) C4'-P energy: -130.858
bonds (distance) P-C4' energy: -128.444
flat angles C4'-P-C4' energy: -136.180
flat angles P-C4'-P energy: -77.105
tors. eta vs tors. theta energy: -150.786
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: 1, replica: 9
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -2979.150538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2979.150538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2980.123558 (E_RNA)
where:
Base-Base interactions energy: -2082.604
where: short stacking energy: -884.364
Base-Backbone interact. energy: 2.334
local terms energy: -899.854040
where:
bonds (distance) C4'-P energy: -153.911
bonds (distance) P-C4' energy: -172.287
flat angles C4'-P-C4' energy: -184.712
flat angles P-C4'-P energy: -126.612
tors. eta vs tors. theta energy: -262.333
Dist. restrs. and SS energy: 0.973 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -2840.575802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2840.575802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2841.878514 (E_RNA)
where:
Base-Base interactions energy: -2016.486
where: short stacking energy: -838.245
Base-Backbone interact. energy: -2.782
local terms energy: -822.611448
where:
bonds (distance) C4'-P energy: -145.639
bonds (distance) P-C4' energy: -143.174
flat angles C4'-P-C4' energy: -185.996
flat angles P-C4'-P energy: -112.792
tors. eta vs tors. theta energy: -235.010
Dist. restrs. and SS energy: 1.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -2782.469879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.469879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.067395 (E_RNA)
where:
Base-Base interactions energy: -1928.624
where: short stacking energy: -799.546
Base-Backbone interact. energy: -5.383
local terms energy: -850.060513
where:
bonds (distance) C4'-P energy: -157.889
bonds (distance) P-C4' energy: -159.315
flat angles C4'-P-C4' energy: -184.048
flat angles P-C4'-P energy: -107.705
tors. eta vs tors. theta energy: -241.104
Dist. restrs. and SS energy: 1.598 (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: 5
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -2610.771424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.771424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.418916 (E_RNA)
where:
Base-Base interactions energy: -1823.895
where: short stacking energy: -779.545
Base-Backbone interact. energy: 4.102
local terms energy: -793.625777
where:
bonds (distance) C4'-P energy: -141.438
bonds (distance) P-C4' energy: -144.409
flat angles C4'-P-C4' energy: -178.077
flat angles P-C4'-P energy: -102.340
tors. eta vs tors. theta energy: -227.362
Dist. restrs. and SS energy: 2.647 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -2366.753123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.753123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.610193 (E_RNA)
where:
Base-Base interactions energy: -1620.656
where: short stacking energy: -708.584
Base-Backbone interact. energy: -5.948
local terms energy: -743.006328
where:
bonds (distance) C4'-P energy: -147.571
bonds (distance) P-C4' energy: -154.657
flat angles C4'-P-C4' energy: -152.870
flat angles P-C4'-P energy: -91.109
tors. eta vs tors. theta energy: -196.799
Dist. restrs. and SS energy: 2.857 (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: 381
Temperature: 1.150000
Total energy: -2225.549082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.549082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.361198 (E_RNA)
where:
Base-Base interactions energy: -1493.314
where: short stacking energy: -649.662
Base-Backbone interact. energy: -1.312
local terms energy: -732.735027
where:
bonds (distance) C4'-P energy: -146.704
bonds (distance) P-C4' energy: -149.195
flat angles C4'-P-C4' energy: -157.626
flat angles P-C4'-P energy: -102.170
tors. eta vs tors. theta energy: -177.041
Dist. restrs. and SS energy: 1.812 (S_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: 381
Temperature: 1.200000
Total energy: -2108.923061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.923061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.907563 (E_RNA)
where:
Base-Base interactions energy: -1427.818
where: short stacking energy: -614.872
Base-Backbone interact. energy: -1.834
local terms energy: -681.256128
where:
bonds (distance) C4'-P energy: -138.424
bonds (distance) P-C4' energy: -153.639
flat angles C4'-P-C4' energy: -132.290
flat angles P-C4'-P energy: -94.953
tors. eta vs tors. theta energy: -161.950
Dist. restrs. and SS energy: 1.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -2021.499384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.499384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.924206 (E_RNA)
where:
Base-Base interactions energy: -1350.135
where: short stacking energy: -578.153
Base-Backbone interact. energy: 8.948
local terms energy: -681.737391
where:
bonds (distance) C4'-P energy: -117.047
bonds (distance) P-C4' energy: -158.478
flat angles C4'-P-C4' energy: -154.626
flat angles P-C4'-P energy: -91.398
tors. eta vs tors. theta energy: -160.189
Dist. restrs. and SS energy: 1.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -1942.109356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.109356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.625253 (E_RNA)
where:
Base-Base interactions energy: -1319.255
where: short stacking energy: -557.372
Base-Backbone interact. energy: -0.526
local terms energy: -626.844198
where:
bonds (distance) C4'-P energy: -103.138
bonds (distance) P-C4' energy: -135.252
flat angles C4'-P-C4' energy: -171.428
flat angles P-C4'-P energy: -88.918
tors. eta vs tors. theta energy: -128.108
Dist. restrs. and SS energy: 4.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -1900.095917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.095917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.279701 (E_RNA)
where:
Base-Base interactions energy: -1311.694
where: short stacking energy: -556.882
Base-Backbone interact. energy: 0.253
local terms energy: -590.838593
where:
bonds (distance) C4'-P energy: -117.640
bonds (distance) P-C4' energy: -126.798
flat angles C4'-P-C4' energy: -140.562
flat angles P-C4'-P energy: -81.567
tors. eta vs tors. theta energy: -124.272
Dist. restrs. and SS energy: 2.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -2985.744085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2985.744085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2987.313002 (E_RNA)
where:
Base-Base interactions energy: -2106.164
where: short stacking energy: -894.081
Base-Backbone interact. energy: -2.243
local terms energy: -878.906459
where:
bonds (distance) C4'-P energy: -139.177
bonds (distance) P-C4' energy: -168.797
flat angles C4'-P-C4' energy: -180.085
flat angles P-C4'-P energy: -125.661
tors. eta vs tors. theta energy: -265.186
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: 2, replica: 4
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -2809.472406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.472406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.616248 (E_RNA)
where:
Base-Base interactions energy: -1944.044
where: short stacking energy: -815.534
Base-Backbone interact. energy: 1.109
local terms energy: -867.681237
where:
bonds (distance) C4'-P energy: -158.514
bonds (distance) P-C4' energy: -146.122
flat angles C4'-P-C4' energy: -194.157
flat angles P-C4'-P energy: -126.579
tors. eta vs tors. theta energy: -242.310
Dist. restrs. and SS energy: 1.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -2792.498203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2792.498203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.825247 (E_RNA)
where:
Base-Base interactions energy: -1940.400
where: short stacking energy: -818.869
Base-Backbone interact. energy: -4.151
local terms energy: -850.274112
where:
bonds (distance) C4'-P energy: -127.731
bonds (distance) P-C4' energy: -166.455
flat angles C4'-P-C4' energy: -192.267
flat angles P-C4'-P energy: -119.615
tors. eta vs tors. theta energy: -244.207
Dist. restrs. and SS energy: 2.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -2558.766397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.766397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.930054 (E_RNA)
where:
Base-Base interactions energy: -1786.450
where: short stacking energy: -749.402
Base-Backbone interact. energy: -1.772
local terms energy: -773.708074
where:
bonds (distance) C4'-P energy: -138.513
bonds (distance) P-C4' energy: -150.701
flat angles C4'-P-C4' energy: -156.711
flat angles P-C4'-P energy: -120.561
tors. eta vs tors. theta energy: -207.223
Dist. restrs. and SS energy: 3.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -2398.660960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.660960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.840152 (E_RNA)
where:
Base-Base interactions energy: -1646.197
where: short stacking energy: -710.957
Base-Backbone interact. energy: 2.897
local terms energy: -757.539916
where:
bonds (distance) C4'-P energy: -142.402
bonds (distance) P-C4' energy: -110.714
flat angles C4'-P-C4' energy: -168.832
flat angles P-C4'-P energy: -125.593
tors. eta vs tors. theta energy: -210.000
Dist. restrs. and SS energy: 2.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -2180.759836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.759836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.276982 (E_RNA)
where:
Base-Base interactions energy: -1464.043
where: short stacking energy: -651.291
Base-Backbone interact. energy: -2.092
local terms energy: -716.141721
where:
bonds (distance) C4'-P energy: -138.973
bonds (distance) P-C4' energy: -131.758
flat angles C4'-P-C4' energy: -162.054
flat angles P-C4'-P energy: -94.327
tors. eta vs tors. theta energy: -189.029
Dist. restrs. and SS energy: 1.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -2067.911634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.911634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.468729 (E_RNA)
where:
Base-Base interactions energy: -1412.669
where: short stacking energy: -594.391
Base-Backbone interact. energy: 2.125
local terms energy: -664.924684
where:
bonds (distance) C4'-P energy: -129.776
bonds (distance) P-C4' energy: -132.361
flat angles C4'-P-C4' energy: -143.529
flat angles P-C4'-P energy: -97.246
tors. eta vs tors. theta energy: -162.012
Dist. restrs. and SS energy: 7.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -2029.161489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.161489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.507010 (E_RNA)
where:
Base-Base interactions energy: -1367.551
where: short stacking energy: -590.596
Base-Backbone interact. energy: -0.874
local terms energy: -664.082219
where:
bonds (distance) C4'-P energy: -112.913
bonds (distance) P-C4' energy: -145.852
flat angles C4'-P-C4' energy: -155.714
flat angles P-C4'-P energy: -90.711
tors. eta vs tors. theta energy: -158.893
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: 9, replica: 2
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -1919.174064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.174064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.020285 (E_RNA)
where:
Base-Base interactions energy: -1314.113
where: short stacking energy: -539.087
Base-Backbone interact. energy: -2.903
local terms energy: -604.004642
where:
bonds (distance) C4'-P energy: -117.101
bonds (distance) P-C4' energy: -135.059
flat angles C4'-P-C4' energy: -141.307
flat angles P-C4'-P energy: -86.911
tors. eta vs tors. theta energy: -123.627
Dist. restrs. and SS energy: 1.846 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -1883.847035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.847035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.251298 (E_RNA)
where:
Base-Base interactions energy: -1300.406
where: short stacking energy: -528.473
Base-Backbone interact. energy: -1.844
local terms energy: -585.001336
where:
bonds (distance) C4'-P energy: -108.043
bonds (distance) P-C4' energy: -115.895
flat angles C4'-P-C4' energy: -147.817
flat angles P-C4'-P energy: -77.886
tors. eta vs tors. theta energy: -135.359
Dist. restrs. and SS energy: 3.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -2981.764128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2981.764128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2982.977459 (E_RNA)
where:
Base-Base interactions energy: -2062.974
where: short stacking energy: -874.086
Base-Backbone interact. energy: -3.403
local terms energy: -916.600408
where:
bonds (distance) C4'-P energy: -172.096
bonds (distance) P-C4' energy: -169.777
flat angles C4'-P-C4' energy: -189.021
flat angles P-C4'-P energy: -123.476
tors. eta vs tors. theta energy: -262.230
Dist. restrs. and SS energy: 1.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -2844.219113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2844.219113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2845.228247 (E_RNA)
where:
Base-Base interactions energy: -1965.700
where: short stacking energy: -825.266
Base-Backbone interact. energy: -6.527
local terms energy: -873.001040
where:
bonds (distance) C4'-P energy: -161.887
bonds (distance) P-C4' energy: -151.575
flat angles C4'-P-C4' energy: -188.025
flat angles P-C4'-P energy: -120.072
tors. eta vs tors. theta energy: -251.442
Dist. restrs. and SS energy: 1.009 (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: 4
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -2747.552125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2747.552125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.783750 (E_RNA)
where:
Base-Base interactions energy: -1897.362
where: short stacking energy: -763.583
Base-Backbone interact. energy: -4.603
local terms energy: -846.818476
where:
bonds (distance) C4'-P energy: -152.427
bonds (distance) P-C4' energy: -158.802
flat angles C4'-P-C4' energy: -174.129
flat angles P-C4'-P energy: -126.154
tors. eta vs tors. theta energy: -235.306
Dist. restrs. and SS energy: 1.232 (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: 5
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -2523.780176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.780176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.118168 (E_RNA)
where:
Base-Base interactions energy: -1735.949
where: short stacking energy: -698.849
Base-Backbone interact. energy: -2.353
local terms energy: -787.816154
where:
bonds (distance) C4'-P energy: -154.325
bonds (distance) P-C4' energy: -156.236
flat angles C4'-P-C4' energy: -175.514
flat angles P-C4'-P energy: -98.202
tors. eta vs tors. theta energy: -203.539
Dist. restrs. and SS energy: 2.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -2371.459246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.459246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.133624 (E_RNA)
where:
Base-Base interactions energy: -1643.463
where: short stacking energy: -704.518
Base-Backbone interact. energy: -0.876
local terms energy: -728.795250
where:
bonds (distance) C4'-P energy: -140.223
bonds (distance) P-C4' energy: -140.469
flat angles C4'-P-C4' energy: -165.058
flat angles P-C4'-P energy: -90.074
tors. eta vs tors. theta energy: -192.972
Dist. restrs. and SS energy: 1.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -2226.468379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.468379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.381410 (E_RNA)
where:
Base-Base interactions energy: -1484.146
where: short stacking energy: -657.617
Base-Backbone interact. energy: -0.514
local terms energy: -744.721444
where:
bonds (distance) C4'-P energy: -140.740
bonds (distance) P-C4' energy: -135.084
flat angles C4'-P-C4' energy: -169.371
flat angles P-C4'-P energy: -106.122
tors. eta vs tors. theta energy: -193.404
Dist. restrs. and SS energy: 2.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -2100.777992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.777992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.373896 (E_RNA)
where:
Base-Base interactions energy: -1432.079
where: short stacking energy: -604.469
Base-Backbone interact. energy: -2.009
local terms energy: -668.285687
where:
bonds (distance) C4'-P energy: -124.845
bonds (distance) P-C4' energy: -149.101
flat angles C4'-P-C4' energy: -139.537
flat angles P-C4'-P energy: -92.749
tors. eta vs tors. theta energy: -162.053
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: 8, replica: 10
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -2083.552665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.552665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.896439 (E_RNA)
where:
Base-Base interactions energy: -1382.478
where: short stacking energy: -600.791
Base-Backbone interact. energy: -2.776
local terms energy: -700.641796
where:
bonds (distance) C4'-P energy: -137.761
bonds (distance) P-C4' energy: -151.255
flat angles C4'-P-C4' energy: -145.732
flat angles P-C4'-P energy: -97.629
tors. eta vs tors. theta energy: -168.264
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: 9, replica: 2
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -1922.600964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.600964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.996691 (E_RNA)
where:
Base-Base interactions energy: -1321.255
where: short stacking energy: -541.240
Base-Backbone interact. energy: -3.808
local terms energy: -600.934164
where:
bonds (distance) C4'-P energy: -122.834
bonds (distance) P-C4' energy: -95.945
flat angles C4'-P-C4' energy: -143.839
flat angles P-C4'-P energy: -93.561
tors. eta vs tors. theta energy: -144.755
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: 10, replica: 1
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -1907.931893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.931893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.105081 (E_RNA)
where:
Base-Base interactions energy: -1281.415
where: short stacking energy: -528.852
Base-Backbone interact. energy: 1.923
local terms energy: -631.613265
where:
bonds (distance) C4'-P energy: -129.354
bonds (distance) P-C4' energy: -136.427
flat angles C4'-P-C4' energy: -135.940
flat angles P-C4'-P energy: -82.505
tors. eta vs tors. theta energy: -147.387
Dist. restrs. and SS energy: 3.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -2984.800903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2984.800903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2986.319676 (E_RNA)
where:
Base-Base interactions energy: -2086.281
where: short stacking energy: -852.923
Base-Backbone interact. energy: -2.515
local terms energy: -897.524214
where:
bonds (distance) C4'-P energy: -148.772
bonds (distance) P-C4' energy: -163.366
flat angles C4'-P-C4' energy: -195.442
flat angles P-C4'-P energy: -127.361
tors. eta vs tors. theta energy: -262.583
Dist. restrs. and SS energy: 1.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -2830.982859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2830.982859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2832.763163 (E_RNA)
where:
Base-Base interactions energy: -1956.317
where: short stacking energy: -838.863
Base-Backbone interact. energy: -2.524
local terms energy: -873.921746
where:
bonds (distance) C4'-P energy: -160.650
bonds (distance) P-C4' energy: -147.677
flat angles C4'-P-C4' energy: -200.063
flat angles P-C4'-P energy: -116.521
tors. eta vs tors. theta energy: -249.010
Dist. restrs. and SS energy: 1.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -2785.453076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.453076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.664912 (E_RNA)
where:
Base-Base interactions energy: -1927.802
where: short stacking energy: -804.127
Base-Backbone interact. energy: -0.534
local terms energy: -859.329309
where:
bonds (distance) C4'-P energy: -159.935
bonds (distance) P-C4' energy: -157.258
flat angles C4'-P-C4' energy: -177.529
flat angles P-C4'-P energy: -123.118
tors. eta vs tors. theta energy: -241.490
Dist. restrs. and SS energy: 2.212 (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: 5
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -2557.253256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.253256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.630677 (E_RNA)
where:
Base-Base interactions energy: -1766.164
where: short stacking energy: -736.443
Base-Backbone interact. energy: 1.071
local terms energy: -793.537232
where:
bonds (distance) C4'-P energy: -158.432
bonds (distance) P-C4' energy: -151.140
flat angles C4'-P-C4' energy: -159.889
flat angles P-C4'-P energy: -97.501
tors. eta vs tors. theta energy: -226.575
Dist. restrs. and SS energy: 1.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -2386.072148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.072148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.310611 (E_RNA)
where:
Base-Base interactions energy: -1612.995
where: short stacking energy: -686.162
Base-Backbone interact. energy: -1.835
local terms energy: -773.480147
where:
bonds (distance) C4'-P energy: -158.767
bonds (distance) P-C4' energy: -155.708
flat angles C4'-P-C4' energy: -163.771
flat angles P-C4'-P energy: -106.643
tors. eta vs tors. theta energy: -188.591
Dist. restrs. and SS energy: 2.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -2177.537651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.537651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.224909 (E_RNA)
where:
Base-Base interactions energy: -1471.658
where: short stacking energy: -617.342
Base-Backbone interact. energy: 8.177
local terms energy: -715.744319
where:
bonds (distance) C4'-P energy: -138.475
bonds (distance) P-C4' energy: -140.497
flat angles C4'-P-C4' energy: -155.430
flat angles P-C4'-P energy: -100.177
tors. eta vs tors. theta energy: -181.165
Dist. restrs. and SS energy: 1.687 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -2139.544989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.544989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.645787 (E_RNA)
where:
Base-Base interactions energy: -1458.124
where: short stacking energy: -617.048
Base-Backbone interact. energy: -2.496
local terms energy: -682.025697
where:
bonds (distance) C4'-P energy: -135.583
bonds (distance) P-C4' energy: -134.643
flat angles C4'-P-C4' energy: -141.042
flat angles P-C4'-P energy: -94.181
tors. eta vs tors. theta energy: -176.577
Dist. restrs. and SS energy: 3.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -2033.316338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.316338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.660947 (E_RNA)
where:
Base-Base interactions energy: -1389.407
where: short stacking energy: -599.226
Base-Backbone interact. energy: 0.119
local terms energy: -645.372995
where:
bonds (distance) C4'-P energy: -134.543
bonds (distance) P-C4' energy: -118.348
flat angles C4'-P-C4' energy: -154.109
flat angles P-C4'-P energy: -81.914
tors. eta vs tors. theta energy: -156.459
Dist. restrs. and SS energy: 1.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -1967.776435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.776435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.131994 (E_RNA)
where:
Base-Base interactions energy: -1332.650
where: short stacking energy: -538.054
Base-Backbone interact. energy: 3.456
local terms energy: -640.938367
where:
bonds (distance) C4'-P energy: -150.123
bonds (distance) P-C4' energy: -126.530
flat angles C4'-P-C4' energy: -151.816
flat angles P-C4'-P energy: -81.774
tors. eta vs tors. theta energy: -130.695
Dist. restrs. and SS energy: 2.356 (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: 2
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -1888.242355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.242355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.598922 (E_RNA)
where:
Base-Base interactions energy: -1290.785
where: short stacking energy: -515.974
Base-Backbone interact. energy: 1.347
local terms energy: -602.161496
where:
bonds (distance) C4'-P energy: -135.728
bonds (distance) P-C4' energy: -125.934
flat angles C4'-P-C4' energy: -122.385
flat angles P-C4'-P energy: -94.281
tors. eta vs tors. theta energy: -123.833
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: 1, replica: 9
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -3005.935607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3005.935607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3007.158249 (E_RNA)
where:
Base-Base interactions energy: -2118.674
where: short stacking energy: -893.306
Base-Backbone interact. energy: -0.962
local terms energy: -887.521292
where:
bonds (distance) C4'-P energy: -162.614
bonds (distance) P-C4' energy: -143.995
flat angles C4'-P-C4' energy: -204.472
flat angles P-C4'-P energy: -112.500
tors. eta vs tors. theta energy: -263.940
Dist. restrs. and SS energy: 1.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -2815.477068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2815.477068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.716759 (E_RNA)
where:
Base-Base interactions energy: -1948.633
where: short stacking energy: -804.503
Base-Backbone interact. energy: -2.235
local terms energy: -866.849014
where:
bonds (distance) C4'-P energy: -157.463
bonds (distance) P-C4' energy: -156.314
flat angles C4'-P-C4' energy: -192.003
flat angles P-C4'-P energy: -127.665
tors. eta vs tors. theta energy: -233.404
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: 3, replica: 4
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -2791.892873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.892873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.931330 (E_RNA)
where:
Base-Base interactions energy: -1972.538
where: short stacking energy: -790.732
Base-Backbone interact. energy: -3.723
local terms energy: -818.669861
where:
bonds (distance) C4'-P energy: -160.389
bonds (distance) P-C4' energy: -148.633
flat angles C4'-P-C4' energy: -175.781
flat angles P-C4'-P energy: -103.984
tors. eta vs tors. theta energy: -229.884
Dist. restrs. and SS energy: 3.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -2523.988636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.988636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.934643 (E_RNA)
where:
Base-Base interactions energy: -1727.150
where: short stacking energy: -730.265
Base-Backbone interact. energy: 2.526
local terms energy: -801.311267
where:
bonds (distance) C4'-P energy: -142.650
bonds (distance) P-C4' energy: -142.609
flat angles C4'-P-C4' energy: -179.058
flat angles P-C4'-P energy: -109.997
tors. eta vs tors. theta energy: -226.998
Dist. restrs. and SS energy: 1.946 (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: 8
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -2409.876080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.876080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.799981 (E_RNA)
where:
Base-Base interactions energy: -1623.639
where: short stacking energy: -700.026
Base-Backbone interact. energy: 0.735
local terms energy: -789.895908
where:
bonds (distance) C4'-P energy: -144.603
bonds (distance) P-C4' energy: -150.279
flat angles C4'-P-C4' energy: -161.413
flat angles P-C4'-P energy: -128.123
tors. eta vs tors. theta energy: -205.478
Dist. restrs. and SS energy: 2.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -2206.359129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.359129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.139339 (E_RNA)
where:
Base-Base interactions energy: -1473.900
where: short stacking energy: -645.686
Base-Backbone interact. energy: 2.482
local terms energy: -736.721513
where:
bonds (distance) C4'-P energy: -131.106
bonds (distance) P-C4' energy: -155.270
flat angles C4'-P-C4' energy: -162.443
flat angles P-C4'-P energy: -102.677
tors. eta vs tors. theta energy: -185.226
Dist. restrs. and SS energy: 1.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -2106.469401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.469401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.293859 (E_RNA)
where:
Base-Base interactions energy: -1440.472
where: short stacking energy: -597.540
Base-Backbone interact. energy: 1.569
local terms energy: -669.390075
where:
bonds (distance) C4'-P energy: -125.521
bonds (distance) P-C4' energy: -136.054
flat angles C4'-P-C4' energy: -159.206
flat angles P-C4'-P energy: -88.637
tors. eta vs tors. theta energy: -159.972
Dist. restrs. and SS energy: 1.824 (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: 3
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -2004.809339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.809339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.774940 (E_RNA)
where:
Base-Base interactions energy: -1368.703
where: short stacking energy: -563.886
Base-Backbone interact. energy: -0.329
local terms energy: -643.742922
where:
bonds (distance) C4'-P energy: -123.382
bonds (distance) P-C4' energy: -134.632
flat angles C4'-P-C4' energy: -148.123
flat angles P-C4'-P energy: -78.400
tors. eta vs tors. theta energy: -159.206
Dist. restrs. and SS energy: 7.966 (S_DIST_RNA)
chem. 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: -1948.056068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.056068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.622265 (E_RNA)
where:
Base-Base interactions energy: -1330.375
where: short stacking energy: -564.378
Base-Backbone interact. energy: 4.461
local terms energy: -624.709051
where:
bonds (distance) C4'-P energy: -126.805
bonds (distance) P-C4' energy: -145.913
flat angles C4'-P-C4' energy: -126.120
flat angles P-C4'-P energy: -84.318
tors. eta vs tors. theta energy: -141.554
Dist. restrs. and SS energy: 2.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -1834.770399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.770399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.009726 (E_RNA)
where:
Base-Base interactions energy: -1222.134
where: short stacking energy: -520.978
Base-Backbone interact. energy: 3.982
local terms energy: -619.858067
where:
bonds (distance) C4'-P energy: -125.670
bonds (distance) P-C4' energy: -124.943
flat angles C4'-P-C4' energy: -158.324
flat angles P-C4'-P energy: -83.747
tors. eta vs tors. theta energy: -127.174
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: 1, replica: 9
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -3019.038975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3019.038975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3019.775085 (E_RNA)
where:
Base-Base interactions energy: -2119.397
where: short stacking energy: -873.992
Base-Backbone interact. energy: -2.451
local terms energy: -897.926564
where:
bonds (distance) C4'-P energy: -167.443
bonds (distance) P-C4' energy: -158.270
flat angles C4'-P-C4' energy: -187.399
flat angles P-C4'-P energy: -120.493
tors. eta vs tors. theta energy: -264.322
Dist. restrs. and SS energy: 0.736 (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: 7
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -2792.144416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2792.144416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.563055 (E_RNA)
where:
Base-Base interactions energy: -1926.147
where: short stacking energy: -828.746
Base-Backbone interact. energy: -3.397
local terms energy: -864.019448
where:
bonds (distance) C4'-P energy: -166.286
bonds (distance) P-C4' energy: -153.838
flat angles C4'-P-C4' energy: -181.204
flat angles P-C4'-P energy: -120.815
tors. eta vs tors. theta energy: -241.876
Dist. restrs. and SS energy: 1.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -2722.172859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.172859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.697275 (E_RNA)
where:
Base-Base interactions energy: -1929.154
where: short stacking energy: -778.250
Base-Backbone interact. energy: -3.594
local terms energy: -790.949646
where:
bonds (distance) C4'-P energy: -143.319
bonds (distance) P-C4' energy: -130.876
flat angles C4'-P-C4' energy: -170.304
flat angles P-C4'-P energy: -116.215
tors. eta vs tors. theta energy: -230.236
Dist. restrs. and SS energy: 1.524 (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: 5
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -2529.129781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.129781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.489083 (E_RNA)
where:
Base-Base interactions energy: -1782.834
where: short stacking energy: -731.342
Base-Backbone interact. energy: -1.514
local terms energy: -746.141132
where:
bonds (distance) C4'-P energy: -131.959
bonds (distance) P-C4' energy: -153.650
flat angles C4'-P-C4' energy: -169.178
flat angles P-C4'-P energy: -97.054
tors. eta vs tors. theta energy: -194.300
Dist. restrs. and SS energy: 1.359 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -2417.764246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.764246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.657184 (E_RNA)
where:
Base-Base interactions energy: -1692.463
where: short stacking energy: -741.447
Base-Backbone interact. energy: 7.183
local terms energy: -734.376793
where:
bonds (distance) C4'-P energy: -132.202
bonds (distance) P-C4' energy: -132.390
flat angles C4'-P-C4' energy: -177.570
flat angles P-C4'-P energy: -89.690
tors. eta vs tors. theta energy: -202.525
Dist. restrs. and SS energy: 1.893 (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: 6
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -2216.562906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.562906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.793578 (E_RNA)
where:
Base-Base interactions energy: -1490.423
where: short stacking energy: -645.080
Base-Backbone interact. energy: 0.300
local terms energy: -729.669625
where:
bonds (distance) C4'-P energy: -137.269
bonds (distance) P-C4' energy: -139.385
flat angles C4'-P-C4' energy: -161.024
flat angles P-C4'-P energy: -109.083
tors. eta vs tors. theta energy: -182.908
Dist. restrs. and SS energy: 3.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -2174.332652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.332652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.627586 (E_RNA)
where:
Base-Base interactions energy: -1477.655
where: short stacking energy: -621.175
Base-Backbone interact. energy: 7.636
local terms energy: -705.608194
where:
bonds (distance) C4'-P energy: -131.745
bonds (distance) P-C4' energy: -137.421
flat angles C4'-P-C4' energy: -163.352
flat angles P-C4'-P energy: -98.176
tors. eta vs tors. theta energy: -174.913
Dist. restrs. and SS energy: 1.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -2013.855315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.855315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.042519 (E_RNA)
where:
Base-Base interactions energy: -1329.834
where: short stacking energy: -570.887
Base-Backbone interact. energy: -0.024
local terms energy: -688.183891
where:
bonds (distance) C4'-P energy: -160.707
bonds (distance) P-C4' energy: -128.930
flat angles C4'-P-C4' energy: -156.322
flat angles P-C4'-P energy: -81.955
tors. eta vs tors. theta energy: -160.270
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: 9, replica: 2
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -1937.640629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.640629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.961681 (E_RNA)
where:
Base-Base interactions energy: -1303.864
where: short stacking energy: -545.640
Base-Backbone interact. energy: -2.309
local terms energy: -635.788501
where:
bonds (distance) C4'-P energy: -141.301
bonds (distance) P-C4' energy: -131.856
flat angles C4'-P-C4' energy: -143.932
flat angles P-C4'-P energy: -76.331
tors. eta vs tors. theta energy: -142.369
Dist. restrs. and SS energy: 4.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -1904.638224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.638224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.192368 (E_RNA)
where:
Base-Base interactions energy: -1311.434
where: short stacking energy: -556.453
Base-Backbone interact. energy: 3.487
local terms energy: -599.245021
where:
bonds (distance) C4'-P energy: -102.975
bonds (distance) P-C4' energy: -138.613
flat angles C4'-P-C4' energy: -143.805
flat angles P-C4'-P energy: -80.649
tors. eta vs tors. theta energy: -133.203
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: 1, replica: 9
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -2993.096888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2993.096888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2994.556426 (E_RNA)
where:
Base-Base interactions energy: -2099.707
where: short stacking energy: -873.314
Base-Backbone interact. energy: -1.374
local terms energy: -893.475840
where:
bonds (distance) C4'-P energy: -150.381
bonds (distance) P-C4' energy: -167.105
flat angles C4'-P-C4' energy: -188.541
flat angles P-C4'-P energy: -134.774
tors. eta vs tors. theta energy: -252.675
Dist. restrs. and SS energy: 1.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -2832.032491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.032491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2832.926432 (E_RNA)
where:
Base-Base interactions energy: -1957.024
where: short stacking energy: -823.859
Base-Backbone interact. energy: -6.118
local terms energy: -869.784709
where:
bonds (distance) C4'-P energy: -159.660
bonds (distance) P-C4' energy: -158.399
flat angles C4'-P-C4' energy: -193.813
flat angles P-C4'-P energy: -116.909
tors. eta vs tors. theta energy: -241.004
Dist. restrs. and SS energy: 0.894 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -2740.136350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.136350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.326929 (E_RNA)
where:
Base-Base interactions energy: -1910.746
where: short stacking energy: -779.453
Base-Backbone interact. energy: 2.563
local terms energy: -835.144354
where:
bonds (distance) C4'-P energy: -151.773
bonds (distance) P-C4' energy: -171.229
flat angles C4'-P-C4' energy: -174.179
flat angles P-C4'-P energy: -114.047
tors. eta vs tors. theta energy: -223.916
Dist. restrs. and SS energy: 3.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -2583.619010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.619010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.155715 (E_RNA)
where:
Base-Base interactions energy: -1795.876
where: short stacking energy: -743.858
Base-Backbone interact. energy: -2.739
local terms energy: -786.540464
where:
bonds (distance) C4'-P energy: -153.409
bonds (distance) P-C4' energy: -156.441
flat angles C4'-P-C4' energy: -163.436
flat angles P-C4'-P energy: -93.718
tors. eta vs tors. theta energy: -219.537
Dist. restrs. and SS energy: 1.537 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -2467.386087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.386087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.022382 (E_RNA)
where:
Base-Base interactions energy: -1703.381
where: short stacking energy: -733.450
Base-Backbone interact. energy: 7.774
local terms energy: -773.415576
where:
bonds (distance) C4'-P energy: -128.625
bonds (distance) P-C4' energy: -155.423
flat angles C4'-P-C4' energy: -178.133
flat angles P-C4'-P energy: -103.675
tors. eta vs tors. theta energy: -207.559
Dist. restrs. and SS energy: 1.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -2276.922648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.922648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.919945 (E_RNA)
where:
Base-Base interactions energy: -1522.675
where: short stacking energy: -676.598
Base-Backbone interact. energy: 1.102
local terms energy: -757.347081
where:
bonds (distance) C4'-P energy: -139.772
bonds (distance) P-C4' energy: -148.412
flat angles C4'-P-C4' energy: -167.372
flat angles P-C4'-P energy: -101.193
tors. eta vs tors. theta energy: -200.598
Dist. restrs. and SS energy: 1.997 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -2120.702112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.702112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.852231 (E_RNA)
where:
Base-Base interactions energy: -1452.661
where: short stacking energy: -613.155
Base-Backbone interact. energy: 1.355
local terms energy: -671.546795
where:
bonds (distance) C4'-P energy: -121.619
bonds (distance) P-C4' energy: -130.773
flat angles C4'-P-C4' energy: -162.236
flat angles P-C4'-P energy: -91.806
tors. eta vs tors. theta energy: -165.113
Dist. restrs. and SS energy: 2.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -2008.634290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.634290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.133289 (E_RNA)
where:
Base-Base interactions energy: -1341.827
where: short stacking energy: -548.568
Base-Backbone interact. energy: -4.091
local terms energy: -666.215037
where:
bonds (distance) C4'-P energy: -138.103
bonds (distance) P-C4' energy: -143.552
flat angles C4'-P-C4' energy: -159.376
flat angles P-C4'-P energy: -91.694
tors. eta vs tors. theta energy: -133.491
Dist. restrs. and SS energy: 3.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -1988.083556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.083556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.033855 (E_RNA)
where:
Base-Base interactions energy: -1362.055
where: short stacking energy: -566.532
Base-Backbone interact. energy: -2.610
local terms energy: -625.369176
where:
bonds (distance) C4'-P energy: -128.863
bonds (distance) P-C4' energy: -116.403
flat angles C4'-P-C4' energy: -147.569
flat angles P-C4'-P energy: -93.862
tors. eta vs tors. theta energy: -138.671
Dist. restrs. and SS energy: 1.950 (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: 1
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -1799.791450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.791450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.749344 (E_RNA)
where:
Base-Base interactions energy: -1254.540
where: short stacking energy: -512.524
Base-Backbone interact. energy: -1.090
local terms energy: -550.119814
where:
bonds (distance) C4'-P energy: -111.075
bonds (distance) P-C4' energy: -120.537
flat angles C4'-P-C4' energy: -110.190
flat angles P-C4'-P energy: -73.153
tors. eta vs tors. theta energy: -135.165
Dist. restrs. and SS energy: 5.958 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -3007.582365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3007.582365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3008.491853 (E_RNA)
where:
Base-Base interactions energy: -2105.080
where: short stacking energy: -874.471
Base-Backbone interact. energy: -7.079
local terms energy: -896.332681
where:
bonds (distance) C4'-P energy: -153.082
bonds (distance) P-C4' energy: -157.128
flat angles C4'-P-C4' energy: -179.066
flat angles P-C4'-P energy: -131.100
tors. eta vs tors. theta energy: -275.957
Dist. restrs. and SS energy: 0.909 (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: 7
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -2847.641492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2847.641492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2849.550744 (E_RNA)
where:
Base-Base interactions energy: -1980.042
where: short stacking energy: -813.507
Base-Backbone interact. energy: -2.322
local terms energy: -867.186419
where:
bonds (distance) C4'-P energy: -153.387
bonds (distance) P-C4' energy: -153.747
flat angles C4'-P-C4' energy: -179.052
flat angles P-C4'-P energy: -131.247
tors. eta vs tors. theta energy: -249.753
Dist. restrs. and SS energy: 1.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -2743.257142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2743.257142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.881510 (E_RNA)
where:
Base-Base interactions energy: -1918.556
where: short stacking energy: -778.519
Base-Backbone interact. energy: 3.316
local terms energy: -830.641194
where:
bonds (distance) C4'-P energy: -146.937
bonds (distance) P-C4' energy: -155.774
flat angles C4'-P-C4' energy: -183.473
flat angles P-C4'-P energy: -121.516
tors. eta vs tors. theta energy: -222.942
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: 5
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -2575.150232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.150232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.546754 (E_RNA)
where:
Base-Base interactions energy: -1782.482
where: short stacking energy: -781.945
Base-Backbone interact. energy: -0.457
local terms energy: -794.607553
where:
bonds (distance) C4'-P energy: -138.708
bonds (distance) P-C4' energy: -139.171
flat angles C4'-P-C4' energy: -178.468
flat angles P-C4'-P energy: -113.924
tors. eta vs tors. theta energy: -224.336
Dist. restrs. and SS energy: 2.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -2383.996886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.996886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.081130 (E_RNA)
where:
Base-Base interactions energy: -1623.077
where: short stacking energy: -712.533
Base-Backbone interact. energy: -1.820
local terms energy: -761.184903
where:
bonds (distance) C4'-P energy: -138.258
bonds (distance) P-C4' energy: -135.693
flat angles C4'-P-C4' energy: -167.722
flat angles P-C4'-P energy: -108.768
tors. eta vs tors. theta energy: -210.744
Dist. restrs. and SS energy: 2.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -2240.426908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.426908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.571434 (E_RNA)
where:
Base-Base interactions energy: -1538.065
where: short stacking energy: -653.906
Base-Backbone interact. energy: 1.965
local terms energy: -706.471382
where:
bonds (distance) C4'-P energy: -142.114
bonds (distance) P-C4' energy: -122.473
flat angles C4'-P-C4' energy: -162.680
flat angles P-C4'-P energy: -91.169
tors. eta vs tors. theta energy: -188.036
Dist. restrs. and SS energy: 2.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -2171.165279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.165279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.804042 (E_RNA)
where:
Base-Base interactions energy: -1470.477
where: short stacking energy: -619.804
Base-Backbone interact. energy: 1.775
local terms energy: -705.102404
where:
bonds (distance) C4'-P energy: -147.621
bonds (distance) P-C4' energy: -137.794
flat angles C4'-P-C4' energy: -158.467
flat angles P-C4'-P energy: -95.189
tors. eta vs tors. theta energy: -166.032
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: 8, replica: 2
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -1989.337039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.337039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.895192 (E_RNA)
where:
Base-Base interactions energy: -1337.420
where: short stacking energy: -549.939
Base-Backbone interact. energy: -0.067
local terms energy: -653.407685
where:
bonds (distance) C4'-P energy: -124.775
bonds (distance) P-C4' energy: -141.439
flat angles C4'-P-C4' energy: -137.761
flat angles P-C4'-P energy: -100.139
tors. eta vs tors. theta energy: -149.294
Dist. restrs. and SS energy: 1.558 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -1973.318224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.318224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.991479 (E_RNA)
where:
Base-Base interactions energy: -1327.954
where: short stacking energy: -551.399
Base-Backbone interact. energy: -1.363
local terms energy: -646.674397
where:
bonds (distance) C4'-P energy: -134.099
bonds (distance) P-C4' energy: -116.823
flat angles C4'-P-C4' energy: -144.327
flat angles P-C4'-P energy: -98.429
tors. eta vs tors. theta energy: -152.996
Dist. restrs. and SS energy: 2.673 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -1829.893486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.893486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.464911 (E_RNA)
where:
Base-Base interactions energy: -1241.658
where: short stacking energy: -527.787
Base-Backbone interact. energy: -2.566
local terms energy: -592.241048
where:
bonds (distance) C4'-P energy: -112.896
bonds (distance) P-C4' energy: -124.210
flat angles C4'-P-C4' energy: -128.577
flat angles P-C4'-P energy: -82.592
tors. eta vs tors. theta energy: -143.966
Dist. restrs. and SS energy: 6.571 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -3024.924109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3024.924109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3025.765423 (E_RNA)
where:
Base-Base interactions energy: -2116.493
where: short stacking energy: -897.107
Base-Backbone interact. energy: 1.607
local terms energy: -910.879741
where:
bonds (distance) C4'-P energy: -147.179
bonds (distance) P-C4' energy: -165.556
flat angles C4'-P-C4' energy: -184.622
flat angles P-C4'-P energy: -146.127
tors. eta vs tors. theta energy: -267.396
Dist. restrs. and SS energy: 0.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -2841.881228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2841.881228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2844.753863 (E_RNA)
where:
Base-Base interactions energy: -1972.185
where: short stacking energy: -834.702
Base-Backbone interact. energy: -1.817
local terms energy: -870.751736
where:
bonds (distance) C4'-P energy: -174.810
bonds (distance) P-C4' energy: -156.623
flat angles C4'-P-C4' energy: -190.665
flat angles P-C4'-P energy: -104.374
tors. eta vs tors. theta energy: -244.279
Dist. restrs. and SS energy: 2.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -2755.606580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.606580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.654435 (E_RNA)
where:
Base-Base interactions energy: -1919.026
where: short stacking energy: -766.367
Base-Backbone interact. energy: -5.949
local terms energy: -831.678862
where:
bonds (distance) C4'-P energy: -162.267
bonds (distance) P-C4' energy: -160.539
flat angles C4'-P-C4' energy: -160.923
flat angles P-C4'-P energy: -122.739
tors. eta vs tors. theta energy: -225.211
Dist. restrs. and SS energy: 1.048 (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: 5
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -2586.056351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.056351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.218271 (E_RNA)
where:
Base-Base interactions energy: -1791.493
where: short stacking energy: -749.294
Base-Backbone interact. energy: -4.612
local terms energy: -791.113014
where:
bonds (distance) C4'-P energy: -120.192
bonds (distance) P-C4' energy: -165.205
flat angles C4'-P-C4' energy: -169.023
flat angles P-C4'-P energy: -121.921
tors. eta vs tors. theta energy: -214.773
Dist. restrs. and SS energy: 1.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -2410.648465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.648465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.434870 (E_RNA)
where:
Base-Base interactions energy: -1650.278
where: short stacking energy: -700.178
Base-Backbone interact. energy: -5.215
local terms energy: -756.941077
where:
bonds (distance) C4'-P energy: -141.256
bonds (distance) P-C4' energy: -143.938
flat angles C4'-P-C4' energy: -161.831
flat angles P-C4'-P energy: -104.515
tors. eta vs tors. theta energy: -205.400
Dist. restrs. and SS energy: 1.786 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -2216.698447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.698447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.627824 (E_RNA)
where:
Base-Base interactions energy: -1489.059
where: short stacking energy: -627.665
Base-Backbone interact. energy: -3.042
local terms energy: -726.526386
where:
bonds (distance) C4'-P energy: -137.466
bonds (distance) P-C4' energy: -143.497
flat angles C4'-P-C4' energy: -166.121
flat angles P-C4'-P energy: -96.225
tors. eta vs tors. theta energy: -183.218
Dist. restrs. and SS energy: 1.929 (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: 10
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -2079.910885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.910885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.435826 (E_RNA)
where:
Base-Base interactions energy: -1405.205
where: short stacking energy: -606.050
Base-Backbone interact. energy: -1.469
local terms energy: -674.761645
where:
bonds (distance) C4'-P energy: -124.229
bonds (distance) P-C4' energy: -147.483
flat angles C4'-P-C4' energy: -144.075
flat angles P-C4'-P energy: -94.521
tors. eta vs tors. theta energy: -164.453
Dist. restrs. and SS energy: 1.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -2033.546012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.546012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.555826 (E_RNA)
where:
Base-Base interactions energy: -1402.148
where: short stacking energy: -610.345
Base-Backbone interact. energy: 4.864
local terms energy: -638.271116
where:
bonds (distance) C4'-P energy: -115.691
bonds (distance) P-C4' energy: -123.675
flat angles C4'-P-C4' energy: -156.015
flat angles P-C4'-P energy: -93.336
tors. eta vs tors. theta energy: -149.555
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: 9, replica: 3
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -1957.469191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.469191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.859454 (E_RNA)
where:
Base-Base interactions energy: -1315.838
where: short stacking energy: -551.577
Base-Backbone interact. energy: 0.130
local terms energy: -643.151213
where:
bonds (distance) C4'-P energy: -132.735
bonds (distance) P-C4' energy: -122.344
flat angles C4'-P-C4' energy: -146.814
flat angles P-C4'-P energy: -89.983
tors. eta vs tors. theta energy: -151.275
Dist. restrs. and SS energy: 1.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -1830.301442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.301442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.132170 (E_RNA)
where:
Base-Base interactions energy: -1240.350
where: short stacking energy: -517.127
Base-Backbone interact. energy: -1.119
local terms energy: -593.662520
where:
bonds (distance) C4'-P energy: -121.678
bonds (distance) P-C4' energy: -131.635
flat angles C4'-P-C4' energy: -140.614
flat angles P-C4'-P energy: -70.470
tors. eta vs tors. theta energy: -129.265
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: 1, replica: 9
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -3003.607513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3003.607513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3004.365399 (E_RNA)
where:
Base-Base interactions energy: -2104.762
where: short stacking energy: -887.728
Base-Backbone interact. energy: -3.552
local terms energy: -896.051398
where:
bonds (distance) C4'-P energy: -159.668
bonds (distance) P-C4' energy: -166.348
flat angles C4'-P-C4' energy: -174.650
flat angles P-C4'-P energy: -134.043
tors. eta vs tors. theta energy: -261.342
Dist. restrs. and SS energy: 0.758 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -2837.325827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2837.325827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2839.529172 (E_RNA)
where:
Base-Base interactions energy: -1967.926
where: short stacking energy: -821.953
Base-Backbone interact. energy: 0.045
local terms energy: -871.648198
where:
bonds (distance) C4'-P energy: -139.406
bonds (distance) P-C4' energy: -169.915
flat angles C4'-P-C4' energy: -192.802
flat angles P-C4'-P energy: -125.873
tors. eta vs tors. theta energy: -243.652
Dist. restrs. and SS energy: 2.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -2673.004578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.004578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.400744 (E_RNA)
where:
Base-Base interactions energy: -1847.061
where: short stacking energy: -794.787
Base-Backbone interact. energy: -3.617
local terms energy: -824.722586
where:
bonds (distance) C4'-P energy: -141.342
bonds (distance) P-C4' energy: -146.040
flat angles C4'-P-C4' energy: -181.703
flat angles P-C4'-P energy: -120.355
tors. eta vs tors. theta energy: -235.282
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: 4, replica: 4
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -2667.453648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.453648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.145236 (E_RNA)
where:
Base-Base interactions energy: -1896.407
where: short stacking energy: -765.529
Base-Backbone interact. energy: 2.214
local terms energy: -775.952940
where:
bonds (distance) C4'-P energy: -112.770
bonds (distance) P-C4' energy: -164.229
flat angles C4'-P-C4' energy: -159.302
flat angles P-C4'-P energy: -106.824
tors. eta vs tors. theta energy: -232.828
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: 5, replica: 8
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -2409.974309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.974309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.344293 (E_RNA)
where:
Base-Base interactions energy: -1645.527
where: short stacking energy: -718.010
Base-Backbone interact. energy: 1.319
local terms energy: -769.135892
where:
bonds (distance) C4'-P energy: -140.646
bonds (distance) P-C4' energy: -157.831
flat angles C4'-P-C4' energy: -162.591
flat angles P-C4'-P energy: -106.558
tors. eta vs tors. theta energy: -201.510
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: 6, replica: 6
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -2229.262046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.262046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.487388 (E_RNA)
where:
Base-Base interactions energy: -1514.797
where: short stacking energy: -664.034
Base-Backbone interact. energy: -0.824
local terms energy: -715.866475
where:
bonds (distance) C4'-P energy: -145.196
bonds (distance) P-C4' energy: -124.341
flat angles C4'-P-C4' energy: -173.633
flat angles P-C4'-P energy: -94.399
tors. eta vs tors. theta energy: -178.297
Dist. restrs. and SS energy: 2.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -2058.763431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.763431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.904919 (E_RNA)
where:
Base-Base interactions energy: -1406.476
where: short stacking energy: -615.925
Base-Backbone interact. energy: 6.661
local terms energy: -661.089963
where:
bonds (distance) C4'-P energy: -128.243
bonds (distance) P-C4' energy: -127.658
flat angles C4'-P-C4' energy: -147.458
flat angles P-C4'-P energy: -84.653
tors. eta vs tors. theta energy: -173.078
Dist. restrs. and SS energy: 2.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -2090.309670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.309670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.670309 (E_RNA)
where:
Base-Base interactions energy: -1437.932
where: short stacking energy: -623.856
Base-Backbone interact. energy: -1.056
local terms energy: -652.681972
where:
bonds (distance) C4'-P energy: -124.116
bonds (distance) P-C4' energy: -119.296
flat angles C4'-P-C4' energy: -144.975
flat angles P-C4'-P energy: -86.709
tors. eta vs tors. theta energy: -177.585
Dist. restrs. and SS energy: 1.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -1958.379186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.379186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.704552 (E_RNA)
where:
Base-Base interactions energy: -1327.031
where: short stacking energy: -560.661
Base-Backbone interact. energy: -2.180
local terms energy: -632.493491
where:
bonds (distance) C4'-P energy: -115.889
bonds (distance) P-C4' energy: -138.537
flat angles C4'-P-C4' energy: -140.464
flat angles P-C4'-P energy: -85.274
tors. eta vs tors. theta energy: -152.329
Dist. restrs. and SS energy: 3.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -1809.893844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.893844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.388714 (E_RNA)
where:
Base-Base interactions energy: -1221.548
where: short stacking energy: -510.423
Base-Backbone interact. energy: -0.248
local terms energy: -594.592676
where:
bonds (distance) C4'-P energy: -104.307
bonds (distance) P-C4' energy: -134.059
flat angles C4'-P-C4' energy: -118.542
flat angles P-C4'-P energy: -98.010
tors. eta vs tors. theta energy: -139.675
Dist. restrs. and SS energy: 6.495 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -3003.248308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3003.248308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3004.221784 (E_RNA)
where:
Base-Base interactions energy: -2108.140
where: short stacking energy: -880.669
Base-Backbone interact. energy: -0.219
local terms energy: -895.863186
where:
bonds (distance) C4'-P energy: -155.633
bonds (distance) P-C4' energy: -161.049
flat angles C4'-P-C4' energy: -197.512
flat angles P-C4'-P energy: -121.440
tors. eta vs tors. theta energy: -260.229
Dist. restrs. and SS energy: 0.973 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -2889.749246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2889.749246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2893.211682 (E_RNA)
where:
Base-Base interactions energy: -2014.392
where: short stacking energy: -832.309
Base-Backbone interact. energy: -4.784
local terms energy: -874.035410
where:
bonds (distance) C4'-P energy: -163.582
bonds (distance) P-C4' energy: -148.409
flat angles C4'-P-C4' energy: -192.210
flat angles P-C4'-P energy: -118.581
tors. eta vs tors. theta energy: -251.253
Dist. restrs. and SS energy: 3.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -2682.416468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.416468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.509421 (E_RNA)
where:
Base-Base interactions energy: -1835.831
where: short stacking energy: -761.635
Base-Backbone interact. energy: -2.979
local terms energy: -845.699826
where:
bonds (distance) C4'-P energy: -148.004
bonds (distance) P-C4' energy: -164.800
flat angles C4'-P-C4' energy: -187.569
flat angles P-C4'-P energy: -119.923
tors. eta vs tors. theta energy: -225.404
Dist. restrs. and SS energy: 2.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -2656.920845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.920845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.299752 (E_RNA)
where:
Base-Base interactions energy: -1881.062
where: short stacking energy: -772.311
Base-Backbone interact. energy: -7.471
local terms energy: -770.767728
where:
bonds (distance) C4'-P energy: -143.872
bonds (distance) P-C4' energy: -148.240
flat angles C4'-P-C4' energy: -150.649
flat angles P-C4'-P energy: -109.957
tors. eta vs tors. theta energy: -218.050
Dist. restrs. and SS energy: 2.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -2372.817286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.817286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.977128 (E_RNA)
where:
Base-Base interactions energy: -1611.138
where: short stacking energy: -688.421
Base-Backbone interact. energy: 0.834
local terms energy: -764.672761
where:
bonds (distance) C4'-P energy: -142.532
bonds (distance) P-C4' energy: -139.166
flat angles C4'-P-C4' energy: -163.974
flat angles P-C4'-P energy: -115.880
tors. eta vs tors. theta energy: -203.122
Dist. restrs. and SS energy: 2.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -2228.866523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.866523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.549337 (E_RNA)
where:
Base-Base interactions energy: -1526.591
where: short stacking energy: -688.321
Base-Backbone interact. energy: -0.859
local terms energy: -704.100151
where:
bonds (distance) C4'-P energy: -113.718
bonds (distance) P-C4' energy: -146.889
flat angles C4'-P-C4' energy: -149.064
flat angles P-C4'-P energy: -98.837
tors. eta vs tors. theta energy: -195.593
Dist. restrs. and SS energy: 2.683 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -2077.874070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.874070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.140220 (E_RNA)
where:
Base-Base interactions energy: -1425.607
where: short stacking energy: -594.780
Base-Backbone interact. energy: -0.198
local terms energy: -655.335574
where:
bonds (distance) C4'-P energy: -148.502
bonds (distance) P-C4' energy: -129.000
flat angles C4'-P-C4' energy: -142.695
flat angles P-C4'-P energy: -80.434
tors. eta vs tors. theta energy: -154.704
Dist. restrs. and SS energy: 3.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -2063.376854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.376854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.876935 (E_RNA)
where:
Base-Base interactions energy: -1413.998
where: short stacking energy: -602.355
Base-Backbone interact. energy: -0.492
local terms energy: -651.386265
where:
bonds (distance) C4'-P energy: -130.882
bonds (distance) P-C4' energy: -126.802
flat angles C4'-P-C4' energy: -136.017
flat angles P-C4'-P energy: -90.189
tors. eta vs tors. theta energy: -167.496
Dist. restrs. and SS energy: 2.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -1938.694197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.694197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.788981 (E_RNA)
where:
Base-Base interactions energy: -1311.572
where: short stacking energy: -542.811
Base-Backbone interact. energy: 3.123
local terms energy: -631.340365
where:
bonds (distance) C4'-P energy: -142.289
bonds (distance) P-C4' energy: -114.137
flat angles C4'-P-C4' energy: -149.120
flat angles P-C4'-P energy: -93.282
tors. eta vs tors. theta energy: -132.513
Dist. restrs. and SS energy: 1.095 (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: 1
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -1779.144786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.144786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.238185 (E_RNA)
where:
Base-Base interactions energy: -1235.953
where: short stacking energy: -496.059
Base-Backbone interact. energy: 2.141
local terms energy: -551.426331
where:
bonds (distance) C4'-P energy: -130.471
bonds (distance) P-C4' energy: -105.502
flat angles C4'-P-C4' energy: -132.204
flat angles P-C4'-P energy: -68.973
tors. eta vs tors. theta energy: -114.276
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: 1, replica: 9
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -2999.322493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2999.322493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3001.699827 (E_RNA)
where:
Base-Base interactions energy: -2101.734
where: short stacking energy: -885.800
Base-Backbone interact. energy: -2.238
local terms energy: -897.727444
where:
bonds (distance) C4'-P energy: -148.602
bonds (distance) P-C4' energy: -170.445
flat angles C4'-P-C4' energy: -194.352
flat angles P-C4'-P energy: -126.213
tors. eta vs tors. theta energy: -258.115
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: 7
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -2857.784615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2857.784615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2860.164827 (E_RNA)
where:
Base-Base interactions energy: -1995.616
where: short stacking energy: -850.481
Base-Backbone interact. energy: -0.100
local terms energy: -864.449588
where:
bonds (distance) C4'-P energy: -166.424
bonds (distance) P-C4' energy: -155.550
flat angles C4'-P-C4' energy: -178.998
flat angles P-C4'-P energy: -119.890
tors. eta vs tors. theta energy: -243.589
Dist. restrs. and SS energy: 2.380 (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: 4
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -2708.022641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.022641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.612537 (E_RNA)
where:
Base-Base interactions energy: -1905.157
where: short stacking energy: -758.391
Base-Backbone interact. energy: -3.068
local terms energy: -801.387884
where:
bonds (distance) C4'-P energy: -145.585
bonds (distance) P-C4' energy: -142.639
flat angles C4'-P-C4' energy: -175.748
flat angles P-C4'-P energy: -119.861
tors. eta vs tors. theta energy: -217.556
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: 4, replica: 5
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -2625.832407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.832407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.025868 (E_RNA)
where:
Base-Base interactions energy: -1822.157
where: short stacking energy: -792.774
Base-Backbone interact. energy: 6.794
local terms energy: -813.662418
where:
bonds (distance) C4'-P energy: -158.392
bonds (distance) P-C4' energy: -154.375
flat angles C4'-P-C4' energy: -168.996
flat angles P-C4'-P energy: -91.549
tors. eta vs tors. theta energy: -240.350
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: 8
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -2372.391658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.391658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.217881 (E_RNA)
where:
Base-Base interactions energy: -1606.203
where: short stacking energy: -674.395
Base-Backbone interact. energy: -2.696
local terms energy: -765.318644
where:
bonds (distance) C4'-P energy: -147.617
bonds (distance) P-C4' energy: -146.534
flat angles C4'-P-C4' energy: -170.002
flat angles P-C4'-P energy: -114.335
tors. eta vs tors. theta energy: -186.830
Dist. restrs. and SS energy: 1.826 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -2194.676988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.676988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.591495 (E_RNA)
where:
Base-Base interactions energy: -1493.196
where: short stacking energy: -646.310
Base-Backbone interact. energy: 2.653
local terms energy: -706.048338
where:
bonds (distance) C4'-P energy: -151.939
bonds (distance) P-C4' energy: -135.786
flat angles C4'-P-C4' energy: -146.963
flat angles P-C4'-P energy: -92.161
tors. eta vs tors. theta energy: -179.200
Dist. restrs. and SS energy: 1.915 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -2067.611885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.611885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.003862 (E_RNA)
where:
Base-Base interactions energy: -1391.954
where: short stacking energy: -590.519
Base-Backbone interact. energy: 0.342
local terms energy: -678.391918
where:
bonds (distance) C4'-P energy: -141.776
bonds (distance) P-C4' energy: -129.587
flat angles C4'-P-C4' energy: -156.655
flat angles P-C4'-P energy: -100.867
tors. eta vs tors. theta energy: -149.507
Dist. restrs. and SS energy: 2.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -2042.900158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.900158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.905592 (E_RNA)
where:
Base-Base interactions energy: -1399.575
where: short stacking energy: -569.037
Base-Backbone interact. energy: 3.280
local terms energy: -649.610384
where:
bonds (distance) C4'-P energy: -137.901
bonds (distance) P-C4' energy: -133.096
flat angles C4'-P-C4' energy: -143.700
flat angles P-C4'-P energy: -86.948
tors. eta vs tors. theta energy: -147.966
Dist. restrs. and SS energy: 3.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -2011.777078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.777078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.465670 (E_RNA)
where:
Base-Base interactions energy: -1368.997
where: short stacking energy: -562.503
Base-Backbone interact. energy: -2.414
local terms energy: -644.054517
where:
bonds (distance) C4'-P energy: -122.308
bonds (distance) P-C4' energy: -153.141
flat angles C4'-P-C4' energy: -138.991
flat angles P-C4'-P energy: -88.645
tors. eta vs tors. theta energy: -140.970
Dist. restrs. and SS energy: 3.689 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -1829.956319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.956319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.029675 (E_RNA)
where:
Base-Base interactions energy: -1261.112
where: short stacking energy: -530.960
Base-Backbone interact. energy: 4.908
local terms energy: -576.825699
where:
bonds (distance) C4'-P energy: -112.814
bonds (distance) P-C4' energy: -121.761
flat angles C4'-P-C4' energy: -134.543
flat angles P-C4'-P energy: -83.015
tors. eta vs tors. theta energy: -124.692
Dist. restrs. and SS energy: 3.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -2993.076394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2993.076394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2994.246401 (E_RNA)
where:
Base-Base interactions energy: -2083.538
where: short stacking energy: -873.264
Base-Backbone interact. energy: -3.170
local terms energy: -907.538753
where:
bonds (distance) C4'-P energy: -156.579
bonds (distance) P-C4' energy: -167.019
flat angles C4'-P-C4' energy: -196.105
flat angles P-C4'-P energy: -124.191
tors. eta vs tors. theta energy: -263.645
Dist. restrs. and SS energy: 1.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -2894.613883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2894.613883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2896.307441 (E_RNA)
where:
Base-Base interactions energy: -2028.544
where: short stacking energy: -834.862
Base-Backbone interact. energy: -0.193
local terms energy: -867.571007
where:
bonds (distance) C4'-P energy: -164.345
bonds (distance) P-C4' energy: -160.874
flat angles C4'-P-C4' energy: -184.754
flat angles P-C4'-P energy: -114.266
tors. eta vs tors. theta energy: -243.332
Dist. restrs. and SS energy: 1.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -2752.046157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2752.046157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.879754 (E_RNA)
where:
Base-Base interactions energy: -1942.210
where: short stacking energy: -789.558
Base-Backbone interact. energy: -2.760
local terms energy: -808.909405
where:
bonds (distance) C4'-P energy: -143.756
bonds (distance) P-C4' energy: -151.520
flat angles C4'-P-C4' energy: -168.404
flat angles P-C4'-P energy: -113.203
tors. eta vs tors. theta energy: -232.026
Dist. restrs. and SS energy: 1.834 (S_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: 393
Temperature: 1.050000
Total energy: -2654.643871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.643871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.473059 (E_RNA)
where:
Base-Base interactions energy: -1869.087
where: short stacking energy: -766.412
Base-Backbone interact. energy: -3.393
local terms energy: -783.992270
where:
bonds (distance) C4'-P energy: -131.073
bonds (distance) P-C4' energy: -151.247
flat angles C4'-P-C4' energy: -171.722
flat angles P-C4'-P energy: -109.617
tors. eta vs tors. theta energy: -220.333
Dist. restrs. and SS energy: 1.829 (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: 8
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -2364.785878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.785878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.362476 (E_RNA)
where:
Base-Base interactions energy: -1629.448
where: short stacking energy: -672.582
Base-Backbone interact. energy: -1.639
local terms energy: -735.275610
where:
bonds (distance) C4'-P energy: -133.704
bonds (distance) P-C4' energy: -144.984
flat angles C4'-P-C4' energy: -163.777
flat angles P-C4'-P energy: -101.243
tors. eta vs tors. theta energy: -191.569
Dist. restrs. and SS energy: 1.577 (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: 6
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -2177.342558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.342558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.747453 (E_RNA)
where:
Base-Base interactions energy: -1514.692
where: short stacking energy: -674.601
Base-Backbone interact. energy: -0.091
local terms energy: -664.964658
where:
bonds (distance) C4'-P energy: -122.560
bonds (distance) P-C4' energy: -126.017
flat angles C4'-P-C4' energy: -155.168
flat angles P-C4'-P energy: -86.898
tors. eta vs tors. theta energy: -174.323
Dist. restrs. and SS energy: 2.405 (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: 10
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -2121.933505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.933505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.648471 (E_RNA)
where:
Base-Base interactions energy: -1422.785
where: short stacking energy: -616.082
Base-Backbone interact. energy: -1.393
local terms energy: -699.470941
where:
bonds (distance) C4'-P energy: -138.418
bonds (distance) P-C4' energy: -143.800
flat angles C4'-P-C4' energy: -158.881
flat angles P-C4'-P energy: -102.120
tors. eta vs tors. theta energy: -156.252
Dist. restrs. and SS energy: 1.715 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -2003.076549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.076549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.689642 (E_RNA)
where:
Base-Base interactions energy: -1351.006
where: short stacking energy: -584.251
Base-Backbone interact. energy: 2.300
local terms energy: -656.983579
where:
bonds (distance) C4'-P energy: -148.141
bonds (distance) P-C4' energy: -133.840
flat angles C4'-P-C4' energy: -140.826
flat angles P-C4'-P energy: -77.190
tors. eta vs tors. theta energy: -156.986
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: 9, replica: 2
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -2002.252186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.252186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.081664 (E_RNA)
where:
Base-Base interactions energy: -1340.138
where: short stacking energy: -565.112
Base-Backbone interact. energy: 9.899
local terms energy: -675.842707
where:
bonds (distance) C4'-P energy: -144.082
bonds (distance) P-C4' energy: -151.864
flat angles C4'-P-C4' energy: -136.883
flat angles P-C4'-P energy: -93.573
tors. eta vs tors. theta energy: -149.440
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: 10, replica: 1
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -1832.863920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.863920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.192503 (E_RNA)
where:
Base-Base interactions energy: -1252.333
where: short stacking energy: -538.074
Base-Backbone interact. energy: -2.353
local terms energy: -580.506885
where:
bonds (distance) C4'-P energy: -91.746
bonds (distance) P-C4' energy: -143.847
flat angles C4'-P-C4' energy: -130.597
flat angles P-C4'-P energy: -75.757
tors. eta vs tors. theta energy: -138.560
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: 1, replica: 9
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -2991.308433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2991.308433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2992.728338 (E_RNA)
where:
Base-Base interactions energy: -2083.120
where: short stacking energy: -860.391
Base-Backbone interact. energy: 1.714
local terms energy: -911.323118
where:
bonds (distance) C4'-P energy: -156.637
bonds (distance) P-C4' energy: -177.189
flat angles C4'-P-C4' energy: -185.849
flat angles P-C4'-P energy: -123.506
tors. eta vs tors. theta energy: -268.141
Dist. restrs. and SS energy: 1.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -2871.371831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2871.371831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2873.607024 (E_RNA)
where:
Base-Base interactions energy: -2010.358
where: short stacking energy: -857.125
Base-Backbone interact. energy: -4.987
local terms energy: -858.262187
where:
bonds (distance) C4'-P energy: -162.198
bonds (distance) P-C4' energy: -158.548
flat angles C4'-P-C4' energy: -180.872
flat angles P-C4'-P energy: -107.827
tors. eta vs tors. theta energy: -248.819
Dist. restrs. and SS energy: 2.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -2809.183216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.183216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.123283 (E_RNA)
where:
Base-Base interactions energy: -1969.114
where: short stacking energy: -821.451
Base-Backbone interact. energy: 3.591
local terms energy: -846.600216
where:
bonds (distance) C4'-P energy: -140.461
bonds (distance) P-C4' energy: -178.766
flat angles C4'-P-C4' energy: -181.025
flat angles P-C4'-P energy: -109.181
tors. eta vs tors. theta energy: -237.167
Dist. restrs. and SS energy: 2.940 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -2673.220522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.220522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.044263 (E_RNA)
where:
Base-Base interactions energy: -1832.233
where: short stacking energy: -786.402
Base-Backbone interact. energy: -1.767
local terms energy: -841.044112
where:
bonds (distance) C4'-P energy: -151.769
bonds (distance) P-C4' energy: -149.688
flat angles C4'-P-C4' energy: -195.918
flat angles P-C4'-P energy: -109.988
tors. eta vs tors. theta energy: -233.682
Dist. restrs. and SS energy: 1.824 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -2369.446153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.446153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.728866 (E_RNA)
where:
Base-Base interactions energy: -1645.887
where: short stacking energy: -696.223
Base-Backbone interact. energy: 2.005
local terms energy: -727.846672
where:
bonds (distance) C4'-P energy: -141.783
bonds (distance) P-C4' energy: -128.387
flat angles C4'-P-C4' energy: -157.198
flat angles P-C4'-P energy: -109.615
tors. eta vs tors. theta energy: -190.863
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: 6, replica: 6
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -2218.176168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.176168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.084884 (E_RNA)
where:
Base-Base interactions energy: -1496.674
where: short stacking energy: -627.328
Base-Backbone interact. energy: -0.141
local terms energy: -723.269303
where:
bonds (distance) C4'-P energy: -139.269
bonds (distance) P-C4' energy: -153.189
flat angles C4'-P-C4' energy: -159.719
flat angles P-C4'-P energy: -111.446
tors. eta vs tors. theta energy: -159.646
Dist. restrs. and SS energy: 1.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -2085.028921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.028921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.044424 (E_RNA)
where:
Base-Base interactions energy: -1390.456
where: short stacking energy: -589.435
Base-Backbone interact. energy: -2.413
local terms energy: -694.175369
where:
bonds (distance) C4'-P energy: -140.509
bonds (distance) P-C4' energy: -144.256
flat angles C4'-P-C4' energy: -152.222
flat angles P-C4'-P energy: -90.019
tors. eta vs tors. theta energy: -167.170
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: 8, replica: 3
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -2052.867158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.867158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.315702 (E_RNA)
where:
Base-Base interactions energy: -1401.027
where: short stacking energy: -611.154
Base-Backbone interact. energy: 5.787
local terms energy: -660.076084
where:
bonds (distance) C4'-P energy: -106.980
bonds (distance) P-C4' energy: -157.291
flat angles C4'-P-C4' energy: -138.502
flat angles P-C4'-P energy: -91.944
tors. eta vs tors. theta energy: -165.359
Dist. restrs. and SS energy: 2.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -1947.402106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.402106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.647026 (E_RNA)
where:
Base-Base interactions energy: -1362.892
where: short stacking energy: -568.312
Base-Backbone interact. energy: 4.166
local terms energy: -590.920873
where:
bonds (distance) C4'-P energy: -101.581
bonds (distance) P-C4' energy: -117.592
flat angles C4'-P-C4' energy: -138.907
flat angles P-C4'-P energy: -88.984
tors. eta vs tors. theta energy: -143.856
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: 10, replica: 1
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -1843.843366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.843366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.462876 (E_RNA)
where:
Base-Base interactions energy: -1238.517
where: short stacking energy: -526.354
Base-Backbone interact. energy: 1.365
local terms energy: -610.311612
where:
bonds (distance) C4'-P energy: -103.350
bonds (distance) P-C4' energy: -138.509
flat angles C4'-P-C4' energy: -148.818
flat angles P-C4'-P energy: -88.339
tors. eta vs tors. theta energy: -131.295
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: 1, replica: 9
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -3024.213299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3024.213299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3024.892269 (E_RNA)
where:
Base-Base interactions energy: -2110.934
where: short stacking energy: -881.784
Base-Backbone interact. energy: -1.617
local terms energy: -912.341551
where:
bonds (distance) C4'-P energy: -166.776
bonds (distance) P-C4' energy: -155.018
flat angles C4'-P-C4' energy: -185.380
flat angles P-C4'-P energy: -137.675
tors. eta vs tors. theta energy: -267.493
Dist. restrs. and SS energy: 0.679 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -2890.687886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2890.687886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2891.877053 (E_RNA)
where:
Base-Base interactions energy: -2020.936
where: short stacking energy: -816.704
Base-Backbone interact. energy: -4.173
local terms energy: -866.767940
where:
bonds (distance) C4'-P energy: -152.747
bonds (distance) P-C4' energy: -158.442
flat angles C4'-P-C4' energy: -196.900
flat angles P-C4'-P energy: -122.024
tors. eta vs tors. theta energy: -236.655
Dist. restrs. and SS energy: 1.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -2762.865691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.865691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2765.171034 (E_RNA)
where:
Base-Base interactions energy: -1929.088
where: short stacking energy: -796.422
Base-Backbone interact. energy: -4.351
local terms energy: -831.731487
where:
bonds (distance) C4'-P energy: -134.729
bonds (distance) P-C4' energy: -161.980
flat angles C4'-P-C4' energy: -189.919
flat angles P-C4'-P energy: -110.986
tors. eta vs tors. theta energy: -234.118
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: 4, replica: 5
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -2573.946953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.946953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.852409 (E_RNA)
where:
Base-Base interactions energy: -1793.347
where: short stacking energy: -750.683
Base-Backbone interact. energy: -1.981
local terms energy: -780.524628
where:
bonds (distance) C4'-P energy: -145.480
bonds (distance) P-C4' energy: -138.870
flat angles C4'-P-C4' energy: -165.026
flat angles P-C4'-P energy: -115.033
tors. eta vs tors. theta energy: -216.115
Dist. restrs. and SS energy: 1.905 (S_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: 395
Temperature: 1.100000
Total energy: -2368.905529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.905529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.465969 (E_RNA)
where:
Base-Base interactions energy: -1644.547
where: short stacking energy: -705.273
Base-Backbone interact. energy: 3.059
local terms energy: -729.977953
where:
bonds (distance) C4'-P energy: -134.725
bonds (distance) P-C4' energy: -143.238
flat angles C4'-P-C4' energy: -151.758
flat angles P-C4'-P energy: -106.311
tors. eta vs tors. theta energy: -193.947
Dist. restrs. and SS energy: 2.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -2225.164953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.164953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.929139 (E_RNA)
where:
Base-Base interactions energy: -1484.062
where: short stacking energy: -644.566
Base-Backbone interact. energy: -0.366
local terms energy: -743.501269
where:
bonds (distance) C4'-P energy: -134.250
bonds (distance) P-C4' energy: -160.273
flat angles C4'-P-C4' energy: -148.355
flat angles P-C4'-P energy: -114.254
tors. eta vs tors. theta energy: -186.369
Dist. restrs. and SS energy: 2.764 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -2161.567931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.567931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.927133 (E_RNA)
where:
Base-Base interactions energy: -1449.128
where: short stacking energy: -624.455
Base-Backbone interact. energy: -4.584
local terms energy: -710.215488
where:
bonds (distance) C4'-P energy: -146.048
bonds (distance) P-C4' energy: -142.199
flat angles C4'-P-C4' energy: -152.531
flat angles P-C4'-P energy: -105.936
tors. eta vs tors. theta energy: -163.503
Dist. restrs. and SS energy: 2.359 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -2010.710276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.710276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.025964 (E_RNA)
where:
Base-Base interactions energy: -1376.009
where: short stacking energy: -569.846
Base-Backbone interact. energy: 0.885
local terms energy: -637.902123
where:
bonds (distance) C4'-P energy: -143.603
bonds (distance) P-C4' energy: -123.219
flat angles C4'-P-C4' energy: -132.947
flat angles P-C4'-P energy: -91.236
tors. eta vs tors. theta energy: -146.897
Dist. restrs. and SS energy: 2.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -1981.454298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.454298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.792180 (E_RNA)
where:
Base-Base interactions energy: -1335.877
where: short stacking energy: -566.887
Base-Backbone interact. energy: -3.486
local terms energy: -644.428943
where:
bonds (distance) C4'-P energy: -131.442
bonds (distance) P-C4' energy: -146.133
flat angles C4'-P-C4' energy: -138.617
flat angles P-C4'-P energy: -86.947
tors. eta vs tors. theta energy: -141.290
Dist. restrs. and SS energy: 2.338 (S_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: 395
Temperature: 1.350000
Total energy: -1899.405132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.405132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.177075 (E_RNA)
where:
Base-Base interactions energy: -1302.476
where: short stacking energy: -558.801
Base-Backbone interact. energy: 2.095
local terms energy: -601.796940
where:
bonds (distance) C4'-P energy: -110.984
bonds (distance) P-C4' energy: -132.243
flat angles C4'-P-C4' energy: -133.836
flat angles P-C4'-P energy: -85.003
tors. eta vs tors. theta energy: -139.731
Dist. restrs. and SS energy: 2.772 (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: 9
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -2982.798621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2982.798621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2984.291891 (E_RNA)
where:
Base-Base interactions energy: -2087.774
where: short stacking energy: -890.560
Base-Backbone interact. energy: -4.744
local terms energy: -891.774106
where:
bonds (distance) C4'-P energy: -155.632
bonds (distance) P-C4' energy: -174.108
flat angles C4'-P-C4' energy: -186.434
flat angles P-C4'-P energy: -115.135
tors. eta vs tors. theta energy: -260.464
Dist. restrs. and SS energy: 1.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -2843.308424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2843.308424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2845.079817 (E_RNA)
where:
Base-Base interactions energy: -1986.894
where: short stacking energy: -824.906
Base-Backbone interact. energy: -7.237
local terms energy: -850.949107
where:
bonds (distance) C4'-P energy: -153.112
bonds (distance) P-C4' energy: -158.673
flat angles C4'-P-C4' energy: -180.022
flat angles P-C4'-P energy: -111.060
tors. eta vs tors. theta energy: -248.082
Dist. restrs. and SS energy: 1.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -2765.997843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2765.997843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.760370 (E_RNA)
where:
Base-Base interactions energy: -1942.164
where: short stacking energy: -816.038
Base-Backbone interact. energy: -3.046
local terms energy: -823.549634
where:
bonds (distance) C4'-P energy: -155.434
bonds (distance) P-C4' energy: -171.048
flat angles C4'-P-C4' energy: -166.975
flat angles P-C4'-P energy: -90.503
tors. eta vs tors. theta energy: -239.590
Dist. restrs. and SS energy: 2.763 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -2582.445269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.445269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.127577 (E_RNA)
where:
Base-Base interactions energy: -1785.374
where: short stacking energy: -749.863
Base-Backbone interact. energy: 2.005
local terms energy: -800.758237
where:
bonds (distance) C4'-P energy: -141.548
bonds (distance) P-C4' energy: -151.065
flat angles C4'-P-C4' energy: -171.962
flat angles P-C4'-P energy: -124.128
tors. eta vs tors. theta energy: -212.055
Dist. restrs. and SS energy: 1.682 (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: 8
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -2359.194930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.194930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.077183 (E_RNA)
where:
Base-Base interactions energy: -1619.895
where: short stacking energy: -683.970
Base-Backbone interact. energy: -1.933
local terms energy: -739.249097
where:
bonds (distance) C4'-P energy: -148.698
bonds (distance) P-C4' energy: -123.612
flat angles C4'-P-C4' energy: -173.654
flat angles P-C4'-P energy: -103.217
tors. eta vs tors. theta energy: -190.069
Dist. restrs. and SS energy: 1.882 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -2225.907022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.907022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.492120 (E_RNA)
where:
Base-Base interactions energy: -1494.449
where: short stacking energy: -640.056
Base-Backbone interact. energy: 1.562
local terms energy: -735.604588
where:
bonds (distance) C4'-P energy: -133.753
bonds (distance) P-C4' energy: -148.986
flat angles C4'-P-C4' energy: -150.172
flat angles P-C4'-P energy: -114.670
tors. eta vs tors. theta energy: -188.023
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: 7, replica: 10
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -2124.775387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.775387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.152111 (E_RNA)
where:
Base-Base interactions energy: -1454.955
where: short stacking energy: -621.407
Base-Backbone interact. energy: 6.910
local terms energy: -679.107314
where:
bonds (distance) C4'-P energy: -120.678
bonds (distance) P-C4' energy: -137.722
flat angles C4'-P-C4' energy: -169.565
flat angles P-C4'-P energy: -84.088
tors. eta vs tors. theta energy: -167.054
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: 8, replica: 3
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -2063.399742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.399742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.595344 (E_RNA)
where:
Base-Base interactions energy: -1421.102
where: short stacking energy: -577.002
Base-Backbone interact. energy: -0.538
local terms energy: -644.954802
where:
bonds (distance) C4'-P energy: -127.717
bonds (distance) P-C4' energy: -149.277
flat angles C4'-P-C4' energy: -138.670
flat angles P-C4'-P energy: -78.349
tors. eta vs tors. theta energy: -150.941
Dist. restrs. and SS energy: 3.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -1945.399835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.399835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.070353 (E_RNA)
where:
Base-Base interactions energy: -1348.405
where: short stacking energy: -570.535
Base-Backbone interact. energy: 0.478
local terms energy: -600.143357
where:
bonds (distance) C4'-P energy: -101.564
bonds (distance) P-C4' energy: -138.930
flat angles C4'-P-C4' energy: -136.611
flat angles P-C4'-P energy: -83.613
tors. eta vs tors. theta energy: -139.425
Dist. restrs. and SS energy: 2.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -1847.208205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.208205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.491257 (E_RNA)
where:
Base-Base interactions energy: -1260.683
where: short stacking energy: -532.903
Base-Backbone interact. energy: -0.084
local terms energy: -589.723607
where:
bonds (distance) C4'-P energy: -109.655
bonds (distance) P-C4' energy: -152.803
flat angles C4'-P-C4' energy: -122.046
flat angles P-C4'-P energy: -80.164
tors. eta vs tors. theta energy: -125.056
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: 1, replica: 9
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -2983.023324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2983.023324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2984.852391 (E_RNA)
where:
Base-Base interactions energy: -2078.289
where: short stacking energy: -883.501
Base-Backbone interact. energy: -2.572
local terms energy: -903.991595
where:
bonds (distance) C4'-P energy: -157.280
bonds (distance) P-C4' energy: -154.070
flat angles C4'-P-C4' energy: -200.545
flat angles P-C4'-P energy: -132.146
tors. eta vs tors. theta energy: -259.950
Dist. restrs. and SS energy: 1.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -2834.248306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2834.248306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2836.172353 (E_RNA)
where:
Base-Base interactions energy: -1980.452
where: short stacking energy: -803.177
Base-Backbone interact. energy: -5.194
local terms energy: -850.526628
where:
bonds (distance) C4'-P energy: -154.056
bonds (distance) P-C4' energy: -144.955
flat angles C4'-P-C4' energy: -171.237
flat angles P-C4'-P energy: -133.742
tors. eta vs tors. theta energy: -246.537
Dist. restrs. and SS energy: 1.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -2768.933331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2768.933331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2771.938664 (E_RNA)
where:
Base-Base interactions energy: -1933.094
where: short stacking energy: -787.693
Base-Backbone interact. energy: -3.683
local terms energy: -835.161836
where:
bonds (distance) C4'-P energy: -167.678
bonds (distance) P-C4' energy: -138.169
flat angles C4'-P-C4' energy: -176.559
flat angles P-C4'-P energy: -123.977
tors. eta vs tors. theta energy: -228.779
Dist. restrs. and SS energy: 3.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -2559.952275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.952275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.278781 (E_RNA)
where:
Base-Base interactions energy: -1745.408
where: short stacking energy: -717.448
Base-Backbone interact. energy: -2.164
local terms energy: -813.706607
where:
bonds (distance) C4'-P energy: -145.634
bonds (distance) P-C4' energy: -163.741
flat angles C4'-P-C4' energy: -179.866
flat angles P-C4'-P energy: -115.830
tors. eta vs tors. theta energy: -208.636
Dist. restrs. and SS energy: 1.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -2361.462509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.462509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.397373 (E_RNA)
where:
Base-Base interactions energy: -1583.739
where: short stacking energy: -665.597
Base-Backbone interact. energy: -4.271
local terms energy: -775.387415
where:
bonds (distance) C4'-P energy: -157.425
bonds (distance) P-C4' energy: -150.852
flat angles C4'-P-C4' energy: -164.488
flat angles P-C4'-P energy: -121.487
tors. eta vs tors. theta energy: -181.136
Dist. restrs. and SS energy: 1.935 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -2216.933924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.933924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.524695 (E_RNA)
where:
Base-Base interactions energy: -1500.811
where: short stacking energy: -642.583
Base-Backbone interact. energy: -3.157
local terms energy: -714.556307
where:
bonds (distance) C4'-P energy: -136.327
bonds (distance) P-C4' energy: -150.235
flat angles C4'-P-C4' energy: -143.480
flat angles P-C4'-P energy: -97.299
tors. eta vs tors. theta energy: -187.215
Dist. restrs. and SS energy: 1.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -2097.722360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.722360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.905570 (E_RNA)
where:
Base-Base interactions energy: -1413.359
where: short stacking energy: -611.694
Base-Backbone interact. energy: -1.513
local terms energy: -685.033908
where:
bonds (distance) C4'-P energy: -129.345
bonds (distance) P-C4' energy: -147.300
flat angles C4'-P-C4' energy: -144.580
flat angles P-C4'-P energy: -107.464
tors. eta vs tors. theta energy: -156.345
Dist. restrs. and SS energy: 2.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -2000.548989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.548989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.674970 (E_RNA)
where:
Base-Base interactions energy: -1352.896
where: short stacking energy: -571.262
Base-Backbone interact. energy: 5.857
local terms energy: -655.635306
where:
bonds (distance) C4'-P energy: -127.034
bonds (distance) P-C4' energy: -133.211
flat angles C4'-P-C4' energy: -152.915
flat angles P-C4'-P energy: -97.093
tors. eta vs tors. theta energy: -145.383
Dist. restrs. and SS energy: 2.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -1965.770253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.770253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.430080 (E_RNA)
where:
Base-Base interactions energy: -1311.932
where: short stacking energy: -551.663
Base-Backbone interact. energy: -2.649
local terms energy: -652.848845
where:
bonds (distance) C4'-P energy: -126.703
bonds (distance) P-C4' energy: -146.858
flat angles C4'-P-C4' energy: -140.855
flat angles P-C4'-P energy: -94.523
tors. eta vs tors. theta energy: -143.909
Dist. restrs. and SS energy: 1.660 (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: 1
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -1799.298510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.298510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.318748 (E_RNA)
where:
Base-Base interactions energy: -1231.323
where: short stacking energy: -475.510
Base-Backbone interact. energy: 2.121
local terms energy: -579.116414
where:
bonds (distance) C4'-P energy: -120.319
bonds (distance) P-C4' energy: -122.284
flat angles C4'-P-C4' energy: -136.024
flat angles P-C4'-P energy: -82.425
tors. eta vs tors. theta energy: -118.065
Dist. restrs. and SS energy: 9.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -2967.792715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2967.792715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2969.030868 (E_RNA)
where:
Base-Base interactions energy: -2078.606
where: short stacking energy: -865.625
Base-Backbone interact. energy: -1.330
local terms energy: -889.094718
where:
bonds (distance) C4'-P energy: -171.360
bonds (distance) P-C4' energy: -151.228
flat angles C4'-P-C4' energy: -188.992
flat angles P-C4'-P energy: -129.285
tors. eta vs tors. theta energy: -248.231
Dist. restrs. and SS energy: 1.238 (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: 7
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -2876.823743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2876.823743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2879.844815 (E_RNA)
where:
Base-Base interactions energy: -1997.744
where: short stacking energy: -836.086
Base-Backbone interact. energy: 3.940
local terms energy: -886.041402
where:
bonds (distance) C4'-P energy: -173.206
bonds (distance) P-C4' energy: -163.303
flat angles C4'-P-C4' energy: -192.191
flat angles P-C4'-P energy: -113.422
tors. eta vs tors. theta energy: -243.918
Dist. restrs. and SS energy: 3.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -2751.765259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.765259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2754.255227 (E_RNA)
where:
Base-Base interactions energy: -1934.258
where: short stacking energy: -784.647
Base-Backbone interact. energy: 0.460
local terms energy: -820.457960
where:
bonds (distance) C4'-P energy: -156.851
bonds (distance) P-C4' energy: -143.133
flat angles C4'-P-C4' energy: -176.463
flat angles P-C4'-P energy: -115.880
tors. eta vs tors. theta energy: -228.132
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: 4, replica: 5
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -2581.107882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.107882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.189343 (E_RNA)
where:
Base-Base interactions energy: -1798.720
where: short stacking energy: -747.446
Base-Backbone interact. energy: -0.243
local terms energy: -784.226425
where:
bonds (distance) C4'-P energy: -147.949
bonds (distance) P-C4' energy: -152.641
flat angles C4'-P-C4' energy: -169.397
flat angles P-C4'-P energy: -109.552
tors. eta vs tors. theta energy: -204.687
Dist. restrs. and SS energy: 2.081 (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: 8
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -2410.999633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.999633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.070899 (E_RNA)
where:
Base-Base interactions energy: -1680.512
where: short stacking energy: -713.858
Base-Backbone interact. energy: -2.782
local terms energy: -729.777049
where:
bonds (distance) C4'-P energy: -132.452
bonds (distance) P-C4' energy: -136.197
flat angles C4'-P-C4' energy: -159.581
flat angles P-C4'-P energy: -107.468
tors. eta vs tors. theta energy: -194.079
Dist. restrs. and SS energy: 2.071 (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: 6
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -2248.030076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.030076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.701831 (E_RNA)
where:
Base-Base interactions energy: -1516.813
where: short stacking energy: -657.865
Base-Backbone interact. energy: 0.536
local terms energy: -733.425054
where:
bonds (distance) C4'-P energy: -126.215
bonds (distance) P-C4' energy: -149.826
flat angles C4'-P-C4' energy: -176.481
flat angles P-C4'-P energy: -95.072
tors. eta vs tors. theta energy: -185.832
Dist. restrs. and SS energy: 1.672 (S_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: 398
Temperature: 1.200000
Total energy: -2069.928728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.928728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.097655 (E_RNA)
where:
Base-Base interactions energy: -1407.251
where: short stacking energy: -598.530
Base-Backbone interact. energy: 1.917
local terms energy: -666.763381
where:
bonds (distance) C4'-P energy: -112.739
bonds (distance) P-C4' energy: -142.294
flat angles C4'-P-C4' energy: -156.988
flat angles P-C4'-P energy: -99.858
tors. eta vs tors. theta energy: -154.885
Dist. restrs. and SS energy: 2.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -2088.245374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.245374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.415162 (E_RNA)
where:
Base-Base interactions energy: -1401.664
where: short stacking energy: -599.808
Base-Backbone interact. energy: 4.339
local terms energy: -693.090387
where:
bonds (distance) C4'-P energy: -156.140
bonds (distance) P-C4' energy: -141.030
flat angles C4'-P-C4' energy: -155.423
flat angles P-C4'-P energy: -84.465
tors. eta vs tors. theta energy: -156.033
Dist. restrs. and SS energy: 2.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -1924.798583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.798583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.671867 (E_RNA)
where:
Base-Base interactions energy: -1266.997
where: short stacking energy: -534.069
Base-Backbone interact. energy: -0.182
local terms energy: -661.492603
where:
bonds (distance) C4'-P energy: -131.751
bonds (distance) P-C4' energy: -133.522
flat angles C4'-P-C4' energy: -148.561
flat angles P-C4'-P energy: -96.769
tors. eta vs tors. theta energy: -150.891
Dist. restrs. and SS energy: 3.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -1891.021087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.021087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.206054 (E_RNA)
where:
Base-Base interactions energy: -1294.007
where: short stacking energy: -540.571
Base-Backbone interact. energy: -1.752
local terms energy: -604.446333
where:
bonds (distance) C4'-P energy: -104.944
bonds (distance) P-C4' energy: -125.194
flat angles C4'-P-C4' energy: -128.399
flat angles P-C4'-P energy: -93.471
tors. eta vs tors. theta energy: -152.439
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: 1, replica: 9
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -2974.945350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2974.945350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2976.164784 (E_RNA)
where:
Base-Base interactions energy: -2080.819
where: short stacking energy: -866.522
Base-Backbone interact. energy: -0.389
local terms energy: -894.955898
where:
bonds (distance) C4'-P energy: -168.008
bonds (distance) P-C4' energy: -157.063
flat angles C4'-P-C4' energy: -190.921
flat angles P-C4'-P energy: -133.195
tors. eta vs tors. theta energy: -245.768
Dist. restrs. and SS energy: 1.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -2865.923127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2865.923127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2868.738890 (E_RNA)
where:
Base-Base interactions energy: -2001.525
where: short stacking energy: -829.380
Base-Backbone interact. energy: -3.465
local terms energy: -863.748464
where:
bonds (distance) C4'-P energy: -145.985
bonds (distance) P-C4' energy: -164.197
flat angles C4'-P-C4' energy: -188.355
flat angles P-C4'-P energy: -113.604
tors. eta vs tors. theta energy: -251.608
Dist. restrs. and SS energy: 2.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -2765.213628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2765.213628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.351437 (E_RNA)
where:
Base-Base interactions energy: -1930.746
where: short stacking energy: -826.139
Base-Backbone interact. energy: 4.525
local terms energy: -841.130301
where:
bonds (distance) C4'-P energy: -151.284
bonds (distance) P-C4' energy: -157.980
flat angles C4'-P-C4' energy: -183.431
flat angles P-C4'-P energy: -108.969
tors. eta vs tors. theta energy: -239.467
Dist. restrs. and SS energy: 2.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -2581.241804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.241804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.787466 (E_RNA)
where:
Base-Base interactions energy: -1772.882
where: short stacking energy: -736.552
Base-Backbone interact. energy: -2.442
local terms energy: -808.463043
where:
bonds (distance) C4'-P energy: -152.113
bonds (distance) P-C4' energy: -145.348
flat angles C4'-P-C4' energy: -169.213
flat angles P-C4'-P energy: -123.007
tors. eta vs tors. theta energy: -218.782
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: 5, replica: 8
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -2429.833821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.833821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.579502 (E_RNA)
where:
Base-Base interactions energy: -1651.511
where: short stacking energy: -691.425
Base-Backbone interact. energy: -0.165
local terms energy: -780.902954
where:
bonds (distance) C4'-P energy: -137.576
bonds (distance) P-C4' energy: -157.309
flat angles C4'-P-C4' energy: -177.210
flat angles P-C4'-P energy: -93.112
tors. eta vs tors. theta energy: -215.696
Dist. restrs. and SS energy: 2.746 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -2230.216065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.216065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.622335 (E_RNA)
where:
Base-Base interactions energy: -1515.553
where: short stacking energy: -626.791
Base-Backbone interact. energy: -0.569
local terms energy: -715.500266
where:
bonds (distance) C4'-P energy: -131.684
bonds (distance) P-C4' energy: -143.936
flat angles C4'-P-C4' energy: -152.256
flat angles P-C4'-P energy: -100.904
tors. eta vs tors. theta energy: -186.720
Dist. restrs. and SS energy: 1.406 (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: 3
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -2123.166608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.166608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.055716 (E_RNA)
where:
Base-Base interactions energy: -1422.079
where: short stacking energy: -604.671
Base-Backbone interact. energy: 3.547
local terms energy: -706.523490
where:
bonds (distance) C4'-P energy: -134.382
bonds (distance) P-C4' energy: -151.197
flat angles C4'-P-C4' energy: -155.606
flat angles P-C4'-P energy: -107.224
tors. eta vs tors. theta energy: -158.114
Dist. restrs. and SS energy: 1.889 (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: 10
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -2029.071502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.071502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.941190 (E_RNA)
where:
Base-Base interactions energy: -1362.154
where: short stacking energy: -578.392
Base-Backbone interact. energy: -4.246
local terms energy: -664.541169
where:
bonds (distance) C4'-P energy: -123.463
bonds (distance) P-C4' energy: -160.183
flat angles C4'-P-C4' energy: -134.710
flat angles P-C4'-P energy: -87.289
tors. eta vs tors. theta energy: -158.896
Dist. restrs. and SS energy: 1.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -1992.827246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.827246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.620027 (E_RNA)
where:
Base-Base interactions energy: -1359.694
where: short stacking energy: -594.653
Base-Backbone interact. energy: 3.578
local terms energy: -639.503880
where:
bonds (distance) C4'-P energy: -122.986
bonds (distance) P-C4' energy: -126.605
flat angles C4'-P-C4' energy: -147.104
flat angles P-C4'-P energy: -91.386
tors. eta vs tors. theta energy: -151.424
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: 10, replica: 1
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -1807.527833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.527833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.317181 (E_RNA)
where:
Base-Base interactions energy: -1210.967
where: short stacking energy: -480.603
Base-Backbone interact. energy: -2.618
local terms energy: -604.732305
where:
bonds (distance) C4'-P energy: -122.166
bonds (distance) P-C4' energy: -142.227
flat angles C4'-P-C4' energy: -147.948
flat angles P-C4'-P energy: -73.624
tors. eta vs tors. theta energy: -118.768
Dist. restrs. and SS energy: 10.789 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -2978.156577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2978.156577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2979.899994 (E_RNA)
where:
Base-Base interactions energy: -2065.599
where: short stacking energy: -861.840
Base-Backbone interact. energy: -2.852
local terms energy: -911.449780
where:
bonds (distance) C4'-P energy: -171.082
bonds (distance) P-C4' energy: -164.204
flat angles C4'-P-C4' energy: -188.753
flat angles P-C4'-P energy: -133.293
tors. eta vs tors. theta energy: -254.117
Dist. restrs. and SS energy: 1.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -2885.496124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2885.496124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2887.715210 (E_RNA)
where:
Base-Base interactions energy: -2011.808
where: short stacking energy: -822.327
Base-Backbone interact. energy: -2.721
local terms energy: -873.186073
where:
bonds (distance) C4'-P energy: -166.776
bonds (distance) P-C4' energy: -156.752
flat angles C4'-P-C4' energy: -186.357
flat angles P-C4'-P energy: -116.018
tors. eta vs tors. theta energy: -247.284
Dist. restrs. and SS energy: 2.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -2750.013389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2750.013389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2752.364135 (E_RNA)
where:
Base-Base interactions energy: -1899.479
where: short stacking energy: -788.861
Base-Backbone interact. energy: -4.019
local terms energy: -848.865732
where:
bonds (distance) C4'-P energy: -160.444
bonds (distance) P-C4' energy: -165.461
flat angles C4'-P-C4' energy: -175.842
flat angles P-C4'-P energy: -100.284
tors. eta vs tors. theta energy: -246.835
Dist. restrs. and SS energy: 2.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -2610.784323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.784323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.603544 (E_RNA)
where:
Base-Base interactions energy: -1794.970
where: short stacking energy: -759.369
Base-Backbone interact. energy: -2.067
local terms energy: -815.567078
where:
bonds (distance) C4'-P energy: -136.009
bonds (distance) P-C4' energy: -160.799
flat angles C4'-P-C4' energy: -190.371
flat angles P-C4'-P energy: -118.477
tors. eta vs tors. theta energy: -209.910
Dist. restrs. and SS energy: 1.819 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -2400.921308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.921308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.883842 (E_RNA)
where:
Base-Base interactions energy: -1652.080
where: short stacking energy: -695.749
Base-Backbone interact. energy: -3.005
local terms energy: -747.798943
where:
bonds (distance) C4'-P energy: -123.357
bonds (distance) P-C4' energy: -140.624
flat angles C4'-P-C4' energy: -174.190
flat angles P-C4'-P energy: -109.112
tors. eta vs tors. theta energy: -200.516
Dist. restrs. and SS energy: 1.963 (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: 6
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -2281.912458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.912458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.257642 (E_RNA)
where:
Base-Base interactions energy: -1558.800
where: short stacking energy: -666.279
Base-Backbone interact. energy: -0.831
local terms energy: -723.627163
where:
bonds (distance) C4'-P energy: -113.844
bonds (distance) P-C4' energy: -129.968
flat angles C4'-P-C4' energy: -177.190
flat angles P-C4'-P energy: -98.568
tors. eta vs tors. theta energy: -204.058
Dist. restrs. and SS energy: 1.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -2104.464715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.464715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.105010 (E_RNA)
where:
Base-Base interactions energy: -1434.044
where: short stacking energy: -597.111
Base-Backbone interact. energy: 0.168
local terms energy: -672.229200
where:
bonds (distance) C4'-P energy: -127.549
bonds (distance) P-C4' energy: -147.261
flat angles C4'-P-C4' energy: -138.372
flat angles P-C4'-P energy: -95.625
tors. eta vs tors. theta energy: -163.423
Dist. restrs. and SS energy: 1.640 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -2013.510729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.510729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.168868 (E_RNA)
where:
Base-Base interactions energy: -1349.374
where: short stacking energy: -542.956
Base-Backbone interact. energy: 2.161
local terms energy: -667.955821
where:
bonds (distance) C4'-P energy: -148.582
bonds (distance) P-C4' energy: -144.236
flat angles C4'-P-C4' energy: -147.579
flat angles P-C4'-P energy: -90.570
tors. eta vs tors. theta energy: -136.989
Dist. restrs. and SS energy: 1.658 (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: 2
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -1968.536625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.536625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.074814 (E_RNA)
where:
Base-Base interactions energy: -1307.345
where: short stacking energy: -566.768
Base-Backbone interact. energy: -3.788
local terms energy: -659.941687
where:
bonds (distance) C4'-P energy: -125.525
bonds (distance) P-C4' energy: -144.067
flat angles C4'-P-C4' energy: -158.683
flat angles P-C4'-P energy: -80.120
tors. eta vs tors. theta energy: -151.547
Dist. restrs. and SS energy: 2.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -1785.051922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.051922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.430567 (E_RNA)
where:
Base-Base interactions energy: -1209.588
where: short stacking energy: -515.932
Base-Backbone interact. energy: -1.175
local terms energy: -578.667695
where:
bonds (distance) C4'-P energy: -119.476
bonds (distance) P-C4' energy: -126.785
flat angles C4'-P-C4' energy: -111.381
flat angles P-C4'-P energy: -87.494
tors. eta vs tors. theta energy: -133.532
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: 1, replica: 9
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -2982.649533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2982.649533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2984.074961 (E_RNA)
where:
Base-Base interactions energy: -2075.382
where: short stacking energy: -862.433
Base-Backbone interact. energy: -1.993
local terms energy: -906.700353
where:
bonds (distance) C4'-P energy: -159.913
bonds (distance) P-C4' energy: -163.915
flat angles C4'-P-C4' energy: -191.973
flat angles P-C4'-P energy: -127.955
tors. eta vs tors. theta energy: -262.943
Dist. restrs. and SS energy: 1.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -2892.338541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2892.338541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2894.827891 (E_RNA)
where:
Base-Base interactions energy: -2006.058
where: short stacking energy: -832.025
Base-Backbone interact. energy: 3.503
local terms energy: -892.272398
where:
bonds (distance) C4'-P energy: -151.740
bonds (distance) P-C4' energy: -179.137
flat angles C4'-P-C4' energy: -182.613
flat angles P-C4'-P energy: -126.623
tors. eta vs tors. theta energy: -252.159
Dist. restrs. and SS energy: 2.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -2756.906384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.906384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.131296 (E_RNA)
where:
Base-Base interactions energy: -1918.503
where: short stacking energy: -791.791
Base-Backbone interact. energy: -3.443
local terms energy: -836.185548
where:
bonds (distance) C4'-P energy: -162.812
bonds (distance) P-C4' energy: -155.056
flat angles C4'-P-C4' energy: -169.154
flat angles P-C4'-P energy: -115.270
tors. eta vs tors. theta energy: -233.893
Dist. restrs. and SS energy: 1.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -2595.109934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.109934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.623241 (E_RNA)
where:
Base-Base interactions energy: -1784.488
where: short stacking energy: -756.361
Base-Backbone interact. energy: -1.597
local terms energy: -811.538977
where:
bonds (distance) C4'-P energy: -153.405
bonds (distance) P-C4' energy: -151.675
flat angles C4'-P-C4' energy: -169.165
flat angles P-C4'-P energy: -114.337
tors. eta vs tors. theta energy: -222.957
Dist. restrs. and SS energy: 2.513 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -2421.676016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.676016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.072486 (E_RNA)
where:
Base-Base interactions energy: -1673.746
where: short stacking energy: -710.082
Base-Backbone interact. energy: -2.050
local terms energy: -748.276249
where:
bonds (distance) C4'-P energy: -140.663
bonds (distance) P-C4' energy: -145.695
flat angles C4'-P-C4' energy: -164.362
flat angles P-C4'-P energy: -99.453
tors. eta vs tors. theta energy: -198.103
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: 6, replica: 6
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -2317.457434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.457434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.354385 (E_RNA)
where:
Base-Base interactions energy: -1576.980
where: short stacking energy: -666.412
Base-Backbone interact. energy: 0.730
local terms energy: -743.104426
where:
bonds (distance) C4'-P energy: -135.850
bonds (distance) P-C4' energy: -147.171
flat angles C4'-P-C4' energy: -167.733
flat angles P-C4'-P energy: -105.497
tors. eta vs tors. theta energy: -186.852
Dist. restrs. and SS energy: 1.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -2066.774027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.774027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.488536 (E_RNA)
where:
Base-Base interactions energy: -1385.989
where: short stacking energy: -627.643
Base-Backbone interact. energy: -1.338
local terms energy: -681.161447
where:
bonds (distance) C4'-P energy: -121.470
bonds (distance) P-C4' energy: -140.179
flat angles C4'-P-C4' energy: -151.018
flat angles P-C4'-P energy: -113.217
tors. eta vs tors. theta energy: -155.278
Dist. restrs. and SS energy: 1.715 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -2020.033377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.033377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.794002 (E_RNA)
where:
Base-Base interactions energy: -1362.304
where: short stacking energy: -593.328
Base-Backbone interact. energy: 1.265
local terms energy: -661.755251
where:
bonds (distance) C4'-P energy: -137.767
bonds (distance) P-C4' energy: -137.177
flat angles C4'-P-C4' energy: -150.962
flat angles P-C4'-P energy: -87.582
tors. eta vs tors. theta energy: -148.267
Dist. restrs. and SS energy: 2.761 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -1981.104313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.104313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.773249 (E_RNA)
where:
Base-Base interactions energy: -1305.829
where: short stacking energy: -548.187
Base-Backbone interact. energy: -0.647
local terms energy: -677.296620
where:
bonds (distance) C4'-P energy: -151.384
bonds (distance) P-C4' energy: -133.970
flat angles C4'-P-C4' energy: -147.433
flat angles P-C4'-P energy: -88.512
tors. eta vs tors. theta energy: -155.998
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: 10, replica: 1
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -1796.740518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.740518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.689990 (E_RNA)
where:
Base-Base interactions energy: -1239.840
where: short stacking energy: -514.311
Base-Backbone interact. energy: -0.970
local terms energy: -560.879636
where:
bonds (distance) C4'-P energy: -152.892
bonds (distance) P-C4' energy: -96.761
flat angles C4'-P-C4' energy: -121.630
flat angles P-C4'-P energy: -71.371
tors. eta vs tors. theta energy: -118.227
Dist. restrs. and SS energy: 4.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -2982.544879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2982.544879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2984.505792 (E_RNA)
where:
Base-Base interactions energy: -2094.536
where: short stacking energy: -883.603
Base-Backbone interact. energy: -1.699
local terms energy: -888.270266
where:
bonds (distance) C4'-P energy: -163.366
bonds (distance) P-C4' energy: -160.549
flat angles C4'-P-C4' energy: -183.449
flat angles P-C4'-P energy: -126.108
tors. eta vs tors. theta energy: -254.799
Dist. restrs. and SS energy: 1.961 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -2848.526114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2848.526114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2851.292573 (E_RNA)
where:
Base-Base interactions energy: -1987.282
where: short stacking energy: -821.282
Base-Backbone interact. energy: -3.480
local terms energy: -860.531109
where:
bonds (distance) C4'-P energy: -142.530
bonds (distance) P-C4' energy: -168.454
flat angles C4'-P-C4' energy: -180.906
flat angles P-C4'-P energy: -127.488
tors. eta vs tors. theta energy: -241.152
Dist. restrs. and SS energy: 2.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -2744.447851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2744.447851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.356172 (E_RNA)
where:
Base-Base interactions energy: -1908.649
where: short stacking energy: -787.117
Base-Backbone interact. energy: -3.309
local terms energy: -834.397629
where:
bonds (distance) C4'-P energy: -176.562
bonds (distance) P-C4' energy: -157.405
flat angles C4'-P-C4' energy: -171.803
flat angles P-C4'-P energy: -108.319
tors. eta vs tors. theta energy: -220.308
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: 4, replica: 5
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -2619.606273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.606273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.796959 (E_RNA)
where:
Base-Base interactions energy: -1833.446
where: short stacking energy: -762.880
Base-Backbone interact. energy: -2.120
local terms energy: -786.231040
where:
bonds (distance) C4'-P energy: -142.609
bonds (distance) P-C4' energy: -139.087
flat angles C4'-P-C4' energy: -172.863
flat angles P-C4'-P energy: -99.019
tors. eta vs tors. theta energy: -232.653
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: 5, replica: 8
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -2360.810047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.810047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.759073 (E_RNA)
where:
Base-Base interactions energy: -1619.353
where: short stacking energy: -674.368
Base-Backbone interact. energy: -1.044
local terms energy: -742.362213
where:
bonds (distance) C4'-P energy: -143.609
bonds (distance) P-C4' energy: -126.810
flat angles C4'-P-C4' energy: -173.690
flat angles P-C4'-P energy: -106.342
tors. eta vs tors. theta energy: -191.912
Dist. restrs. and SS energy: 1.949 (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: 6
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -2287.640984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.640984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.654940 (E_RNA)
where:
Base-Base interactions energy: -1558.028
where: short stacking energy: -650.368
Base-Backbone interact. energy: -0.744
local terms energy: -730.882902
where:
bonds (distance) C4'-P energy: -152.058
bonds (distance) P-C4' energy: -134.602
flat angles C4'-P-C4' energy: -162.686
flat angles P-C4'-P energy: -98.087
tors. eta vs tors. theta energy: -183.450
Dist. restrs. and SS energy: 2.014 (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: 10
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -2074.168957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.168957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.943381 (E_RNA)
where:
Base-Base interactions energy: -1397.099
where: short stacking energy: -623.178
Base-Backbone interact. energy: -0.430
local terms energy: -679.414244
where:
bonds (distance) C4'-P energy: -144.426
bonds (distance) P-C4' energy: -120.639
flat angles C4'-P-C4' energy: -155.176
flat angles P-C4'-P energy: -101.166
tors. eta vs tors. theta energy: -158.007
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: 8, replica: 3
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -2004.500190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.500190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.670372 (E_RNA)
where:
Base-Base interactions energy: -1385.017
where: short stacking energy: -571.746
Base-Backbone interact. energy: 3.628
local terms energy: -625.282165
where:
bonds (distance) C4'-P energy: -131.113
bonds (distance) P-C4' energy: -116.410
flat angles C4'-P-C4' energy: -151.017
flat angles P-C4'-P energy: -81.112
tors. eta vs tors. theta energy: -145.629
Dist. restrs. and SS energy: 2.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -1936.995310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.995310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.950847 (E_RNA)
where:
Base-Base interactions energy: -1315.712
where: short stacking energy: -560.599
Base-Backbone interact. energy: 3.459
local terms energy: -626.698292
where:
bonds (distance) C4'-P energy: -108.308
bonds (distance) P-C4' energy: -119.604
flat angles C4'-P-C4' energy: -144.923
flat angles P-C4'-P energy: -107.521
tors. eta vs tors. theta energy: -146.342
Dist. restrs. and SS energy: 1.956 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -1860.289994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.289994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.876117 (E_RNA)
where:
Base-Base interactions energy: -1268.167
where: short stacking energy: -528.113
Base-Backbone interact. energy: 2.860
local terms energy: -598.569552
where:
bonds (distance) C4'-P energy: -129.558
bonds (distance) P-C4' energy: -121.609
flat angles C4'-P-C4' energy: -121.578
flat angles P-C4'-P energy: -92.209
tors. eta vs tors. theta energy: -133.615
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: 1, replica: 9
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -2956.021490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2956.021490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2957.389616 (E_RNA)
where:
Base-Base interactions energy: -2071.545
where: short stacking energy: -864.422
Base-Backbone interact. energy: -1.524
local terms energy: -884.321072
where:
bonds (distance) C4'-P energy: -151.291
bonds (distance) P-C4' energy: -167.773
flat angles C4'-P-C4' energy: -189.844
flat angles P-C4'-P energy: -125.386
tors. eta vs tors. theta energy: -250.026
Dist. restrs. and SS energy: 1.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -2850.181601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2850.181601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2852.558757 (E_RNA)
where:
Base-Base interactions energy: -2008.950
where: short stacking energy: -819.614
Base-Backbone interact. energy: -2.680
local terms energy: -840.928536
where:
bonds (distance) C4'-P energy: -150.465
bonds (distance) P-C4' energy: -140.116
flat angles C4'-P-C4' energy: -184.539
flat angles P-C4'-P energy: -124.251
tors. eta vs tors. theta energy: -241.558
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: 3, replica: 4
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -2740.714870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.714870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.343522 (E_RNA)
where:
Base-Base interactions energy: -1928.914
where: short stacking energy: -789.438
Base-Backbone interact. energy: 3.172
local terms energy: -816.601841
where:
bonds (distance) C4'-P energy: -142.974
bonds (distance) P-C4' energy: -154.973
flat angles C4'-P-C4' energy: -173.767
flat angles P-C4'-P energy: -105.472
tors. eta vs tors. theta energy: -239.416
Dist. restrs. and SS energy: 1.629 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -2619.578464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.578464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.312858 (E_RNA)
where:
Base-Base interactions energy: -1787.866
where: short stacking energy: -742.175
Base-Backbone interact. energy: 2.109
local terms energy: -836.555975
where:
bonds (distance) C4'-P energy: -170.433
bonds (distance) P-C4' energy: -143.912
flat angles C4'-P-C4' energy: -182.031
flat angles P-C4'-P energy: -114.298
tors. eta vs tors. theta energy: -225.882
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: 5, replica: 8
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -2376.693554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.693554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.432662 (E_RNA)
where:
Base-Base interactions energy: -1602.692
where: short stacking energy: -667.883
Base-Backbone interact. energy: -3.892
local terms energy: -772.848695
where:
bonds (distance) C4'-P energy: -147.732
bonds (distance) P-C4' energy: -150.861
flat angles C4'-P-C4' energy: -168.737
flat angles P-C4'-P energy: -107.987
tors. eta vs tors. theta energy: -197.531
Dist. restrs. and SS energy: 2.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -2283.769819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.769819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.338620 (E_RNA)
where:
Base-Base interactions energy: -1537.556
where: short stacking energy: -665.479
Base-Backbone interact. energy: -3.181
local terms energy: -745.602392
where:
bonds (distance) C4'-P energy: -122.471
bonds (distance) P-C4' energy: -157.964
flat angles C4'-P-C4' energy: -171.933
flat angles P-C4'-P energy: -93.748
tors. eta vs tors. theta energy: -199.485
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: 7, replica: 10
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -2070.621152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.621152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.089995 (E_RNA)
where:
Base-Base interactions energy: -1389.238
where: short stacking energy: -593.720
Base-Backbone interact. energy: -2.906
local terms energy: -680.946249
where:
bonds (distance) C4'-P energy: -146.018
bonds (distance) P-C4' energy: -147.056
flat angles C4'-P-C4' energy: -142.140
flat angles P-C4'-P energy: -93.029
tors. eta vs tors. theta energy: -152.704
Dist. restrs. and SS energy: 2.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -1990.773257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.773257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.791304 (E_RNA)
where:
Base-Base interactions energy: -1335.641
where: short stacking energy: -586.059
Base-Backbone interact. energy: 0.158
local terms energy: -658.308596
where:
bonds (distance) C4'-P energy: -125.974
bonds (distance) P-C4' energy: -123.767
flat angles C4'-P-C4' energy: -153.574
flat angles P-C4'-P energy: -105.194
tors. eta vs tors. theta energy: -149.800
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: 9, replica: 2
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -1992.970931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.970931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.973865 (E_RNA)
where:
Base-Base interactions energy: -1360.779
where: short stacking energy: -567.764
Base-Backbone interact. energy: 3.926
local terms energy: -640.121154
where:
bonds (distance) C4'-P energy: -138.809
bonds (distance) P-C4' energy: -117.109
flat angles C4'-P-C4' energy: -157.395
flat angles P-C4'-P energy: -74.559
tors. eta vs tors. theta energy: -152.249
Dist. restrs. and SS energy: 4.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -1838.782786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.782786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.002865 (E_RNA)
where:
Base-Base interactions energy: -1225.888
where: short stacking energy: -516.003
Base-Backbone interact. energy: -2.713
local terms energy: -615.401800
where:
bonds (distance) C4'-P energy: -122.952
bonds (distance) P-C4' energy: -119.195
flat angles C4'-P-C4' energy: -152.455
flat angles P-C4'-P energy: -95.004
tors. eta vs tors. theta energy: -125.796
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: 1, replica: 9
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -2979.368843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2979.368843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2981.329117 (E_RNA)
where:
Base-Base interactions energy: -2097.579
where: short stacking energy: -847.725
Base-Backbone interact. energy: -3.495
local terms energy: -880.254616
where:
bonds (distance) C4'-P energy: -155.030
bonds (distance) P-C4' energy: -153.717
flat angles C4'-P-C4' energy: -198.238
flat angles P-C4'-P energy: -130.927
tors. eta vs tors. theta energy: -242.342
Dist. restrs. and SS energy: 1.960 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -2815.375709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2815.375709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.609791 (E_RNA)
where:
Base-Base interactions energy: -1942.691
where: short stacking energy: -806.441
Base-Backbone interact. energy: -4.767
local terms energy: -870.150923
where:
bonds (distance) C4'-P energy: -160.854
bonds (distance) P-C4' energy: -166.853
flat angles C4'-P-C4' energy: -192.046
flat angles P-C4'-P energy: -111.351
tors. eta vs tors. theta energy: -239.047
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: 4
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -2746.629589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.629589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.710208 (E_RNA)
where:
Base-Base interactions energy: -1924.463
where: short stacking energy: -807.532
Base-Backbone interact. energy: -4.429
local terms energy: -819.818337
where:
bonds (distance) C4'-P energy: -168.925
bonds (distance) P-C4' energy: -139.024
flat angles C4'-P-C4' energy: -177.988
flat angles P-C4'-P energy: -109.011
tors. eta vs tors. theta energy: -224.870
Dist. restrs. and SS energy: 2.081 (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: 5
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -2556.331901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.331901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.830744 (E_RNA)
where:
Base-Base interactions energy: -1753.999
where: short stacking energy: -735.464
Base-Backbone interact. energy: 1.950
local terms energy: -806.781534
where:
bonds (distance) C4'-P energy: -151.369
bonds (distance) P-C4' energy: -159.416
flat angles C4'-P-C4' energy: -169.414
flat angles P-C4'-P energy: -115.981
tors. eta vs tors. theta energy: -210.602
Dist. restrs. and SS energy: 2.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -2384.812921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.812921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.623728 (E_RNA)
where:
Base-Base interactions energy: -1619.887
where: short stacking energy: -692.450
Base-Backbone interact. energy: 2.861
local terms energy: -769.597630
where:
bonds (distance) C4'-P energy: -150.924
bonds (distance) P-C4' energy: -150.645
flat angles C4'-P-C4' energy: -160.693
flat angles P-C4'-P energy: -101.792
tors. eta vs tors. theta energy: -205.544
Dist. restrs. and SS energy: 1.811 (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: 8
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -2329.287916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.287916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.444905 (E_RNA)
where:
Base-Base interactions energy: -1610.141
where: short stacking energy: -674.988
Base-Backbone interact. energy: -2.004
local terms energy: -719.299486
where:
bonds (distance) C4'-P energy: -129.399
bonds (distance) P-C4' energy: -135.267
flat angles C4'-P-C4' energy: -172.371
flat angles P-C4'-P energy: -90.513
tors. eta vs tors. theta energy: -191.749
Dist. restrs. and SS energy: 2.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -2061.787255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.787255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.811350 (E_RNA)
where:
Base-Base interactions energy: -1400.848
where: short stacking energy: -589.909
Base-Backbone interact. energy: -1.084
local terms energy: -661.878826
where:
bonds (distance) C4'-P energy: -112.104
bonds (distance) P-C4' energy: -141.791
flat angles C4'-P-C4' energy: -165.407
flat angles P-C4'-P energy: -84.011
tors. eta vs tors. theta energy: -158.565
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: 8, replica: 3
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -2027.972072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.972072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.764904 (E_RNA)
where:
Base-Base interactions energy: -1366.051
where: short stacking energy: -568.237
Base-Backbone interact. energy: -1.443
local terms energy: -663.270416
where:
bonds (distance) C4'-P energy: -118.724
bonds (distance) P-C4' energy: -153.212
flat angles C4'-P-C4' energy: -140.408
flat angles P-C4'-P energy: -103.244
tors. eta vs tors. theta energy: -147.682
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: 9, replica: 2
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -1970.822298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.822298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.433172 (E_RNA)
where:
Base-Base interactions energy: -1312.529
where: short stacking energy: -555.826
Base-Backbone interact. energy: 4.586
local terms energy: -665.490773
where:
bonds (distance) C4'-P energy: -138.019
bonds (distance) P-C4' energy: -142.382
flat angles C4'-P-C4' energy: -149.871
flat angles P-C4'-P energy: -81.502
tors. eta vs tors. theta energy: -153.717
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: 10, replica: 1
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -1835.570530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.570530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.921737 (E_RNA)
where:
Base-Base interactions energy: -1254.272
where: short stacking energy: -547.635
Base-Backbone interact. energy: 5.325
local terms energy: -594.974776
where:
bonds (distance) C4'-P energy: -103.414
bonds (distance) P-C4' energy: -153.120
flat angles C4'-P-C4' energy: -121.786
flat angles P-C4'-P energy: -71.165
tors. eta vs tors. theta energy: -145.489
Dist. restrs. and SS energy: 8.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -2958.957329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2958.957329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2960.551460 (E_RNA)
where:
Base-Base interactions energy: -2096.839
where: short stacking energy: -887.432
Base-Backbone interact. energy: -0.578
local terms energy: -863.134256
where:
bonds (distance) C4'-P energy: -153.855
bonds (distance) P-C4' energy: -151.090
flat angles C4'-P-C4' energy: -185.356
flat angles P-C4'-P energy: -119.243
tors. eta vs tors. theta energy: -253.590
Dist. restrs. and SS energy: 1.594 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -2851.894503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2851.894503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2853.498370 (E_RNA)
where:
Base-Base interactions energy: -1994.528
where: short stacking energy: -832.857
Base-Backbone interact. energy: -6.379
local terms energy: -852.591080
where:
bonds (distance) C4'-P energy: -162.005
bonds (distance) P-C4' energy: -160.437
flat angles C4'-P-C4' energy: -175.983
flat angles P-C4'-P energy: -112.884
tors. eta vs tors. theta energy: -241.282
Dist. restrs. and SS energy: 1.604 (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: 4
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -2748.251970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2748.251970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.469077 (E_RNA)
where:
Base-Base interactions energy: -1928.229
where: short stacking energy: -777.084
Base-Backbone interact. energy: -5.610
local terms energy: -815.630131
where:
bonds (distance) C4'-P energy: -148.912
bonds (distance) P-C4' energy: -135.956
flat angles C4'-P-C4' energy: -174.235
flat angles P-C4'-P energy: -119.831
tors. eta vs tors. theta energy: -236.696
Dist. restrs. and SS energy: 1.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -2587.953742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.953742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.786157 (E_RNA)
where:
Base-Base interactions energy: -1785.591
where: short stacking energy: -746.794
Base-Backbone interact. energy: -0.538
local terms energy: -802.656337
where:
bonds (distance) C4'-P energy: -140.108
bonds (distance) P-C4' energy: -164.446
flat angles C4'-P-C4' energy: -158.620
flat angles P-C4'-P energy: -117.052
tors. eta vs tors. theta energy: -222.430
Dist. restrs. and SS energy: 0.832 (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: 405
Temperature: 1.100000
Total energy: -2406.889120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.889120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.163394 (E_RNA)
where:
Base-Base interactions energy: -1622.074
where: short stacking energy: -686.373
Base-Backbone interact. energy: 0.897
local terms energy: -786.986648
where:
bonds (distance) C4'-P energy: -138.938
bonds (distance) P-C4' energy: -157.566
flat angles C4'-P-C4' energy: -178.009
flat angles P-C4'-P energy: -111.485
tors. eta vs tors. theta energy: -200.990
Dist. restrs. and SS energy: 1.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -2350.218331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.218331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.802490 (E_RNA)
where:
Base-Base interactions energy: -1620.308
where: short stacking energy: -676.672
Base-Backbone interact. energy: 0.118
local terms energy: -732.612545
where:
bonds (distance) C4'-P energy: -138.546
bonds (distance) P-C4' energy: -130.450
flat angles C4'-P-C4' energy: -156.144
flat angles P-C4'-P energy: -100.554
tors. eta vs tors. theta energy: -206.919
Dist. restrs. and SS energy: 2.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -2143.376904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.376904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.207818 (E_RNA)
where:
Base-Base interactions energy: -1444.003
where: short stacking energy: -653.790
Base-Backbone interact. energy: 6.369
local terms energy: -708.574135
where:
bonds (distance) C4'-P energy: -131.302
bonds (distance) P-C4' energy: -133.630
flat angles C4'-P-C4' energy: -169.022
flat angles P-C4'-P energy: -103.131
tors. eta vs tors. theta energy: -171.490
Dist. restrs. and SS energy: 2.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -2084.981364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.981364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.223192 (E_RNA)
where:
Base-Base interactions energy: -1422.884
where: short stacking energy: -616.518
Base-Backbone interact. energy: -2.747
local terms energy: -661.592018
where:
bonds (distance) C4'-P energy: -117.320
bonds (distance) P-C4' energy: -136.565
flat angles C4'-P-C4' energy: -149.761
flat angles P-C4'-P energy: -89.624
tors. eta vs tors. theta energy: -168.322
Dist. restrs. and SS energy: 2.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -1956.749327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.749327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.625891 (E_RNA)
where:
Base-Base interactions energy: -1306.298
where: short stacking energy: -551.819
Base-Backbone interact. energy: -1.747
local terms energy: -652.581417
where:
bonds (distance) C4'-P energy: -130.647
bonds (distance) P-C4' energy: -125.491
flat angles C4'-P-C4' energy: -160.356
flat angles P-C4'-P energy: -93.255
tors. eta vs tors. theta energy: -142.834
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: 10, replica: 1
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -1863.211315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.211315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.137384 (E_RNA)
where:
Base-Base interactions energy: -1309.600
where: short stacking energy: -542.057
Base-Backbone interact. energy: -1.564
local terms energy: -553.973085
where:
bonds (distance) C4'-P energy: -111.024
bonds (distance) P-C4' energy: -109.002
flat angles C4'-P-C4' energy: -137.317
flat angles P-C4'-P energy: -71.360
tors. eta vs tors. theta energy: -125.270
Dist. restrs. and SS energy: 1.926 (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: 9
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -2956.668266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2956.668266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2958.100495 (E_RNA)
where:
Base-Base interactions energy: -2050.845
where: short stacking energy: -864.061
Base-Backbone interact. energy: 2.860
local terms energy: -910.115761
where:
bonds (distance) C4'-P energy: -162.362
bonds (distance) P-C4' energy: -173.885
flat angles C4'-P-C4' energy: -190.314
flat angles P-C4'-P energy: -138.987
tors. eta vs tors. theta energy: -244.569
Dist. restrs. and SS energy: 1.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -2836.319503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2836.319503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2837.293861 (E_RNA)
where:
Base-Base interactions energy: -1992.006
where: short stacking energy: -826.495
Base-Backbone interact. energy: -2.162
local terms energy: -843.125585
where:
bonds (distance) C4'-P energy: -152.069
bonds (distance) P-C4' energy: -161.304
flat angles C4'-P-C4' energy: -187.153
flat angles P-C4'-P energy: -110.457
tors. eta vs tors. theta energy: -232.143
Dist. restrs. and SS energy: 0.974 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -2728.303005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.303005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.277254 (E_RNA)
where:
Base-Base interactions energy: -1927.092
where: short stacking energy: -807.959
Base-Backbone interact. energy: -0.991
local terms energy: -801.194399
where:
bonds (distance) C4'-P energy: -137.379
bonds (distance) P-C4' energy: -163.567
flat angles C4'-P-C4' energy: -167.585
flat angles P-C4'-P energy: -106.884
tors. eta vs tors. theta energy: -225.780
Dist. restrs. and SS energy: 0.974 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -2626.623502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.623502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.760662 (E_RNA)
where:
Base-Base interactions energy: -1808.942
where: short stacking energy: -753.347
Base-Backbone interact. energy: -1.025
local terms energy: -818.793310
where:
bonds (distance) C4'-P energy: -141.570
bonds (distance) P-C4' energy: -164.892
flat angles C4'-P-C4' energy: -176.925
flat angles P-C4'-P energy: -108.237
tors. eta vs tors. theta energy: -227.170
Dist. restrs. and SS energy: 2.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -2450.836625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.836625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.032293 (E_RNA)
where:
Base-Base interactions energy: -1688.800
where: short stacking energy: -727.628
Base-Backbone interact. energy: -0.874
local terms energy: -764.358489
where:
bonds (distance) C4'-P energy: -147.515
bonds (distance) P-C4' energy: -131.127
flat angles C4'-P-C4' energy: -164.070
flat angles P-C4'-P energy: -117.547
tors. eta vs tors. theta energy: -204.099
Dist. restrs. and SS energy: 3.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -2289.803063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.803063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.347681 (E_RNA)
where:
Base-Base interactions energy: -1531.369
where: short stacking energy: -671.409
Base-Backbone interact. energy: -0.419
local terms energy: -760.559022
where:
bonds (distance) C4'-P energy: -143.189
bonds (distance) P-C4' energy: -134.959
flat angles C4'-P-C4' energy: -162.720
flat angles P-C4'-P energy: -112.777
tors. eta vs tors. theta energy: -206.913
Dist. restrs. and SS energy: 2.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -2109.675083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.675083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.052410 (E_RNA)
where:
Base-Base interactions energy: -1418.892
where: short stacking energy: -583.754
Base-Backbone interact. energy: -2.576
local terms energy: -689.584014
where:
bonds (distance) C4'-P energy: -139.274
bonds (distance) P-C4' energy: -136.257
flat angles C4'-P-C4' energy: -163.535
flat angles P-C4'-P energy: -94.031
tors. eta vs tors. theta energy: -156.488
Dist. restrs. and SS energy: 1.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -2022.866127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.866127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.641153 (E_RNA)
where:
Base-Base interactions energy: -1343.147
where: short stacking energy: -567.655
Base-Backbone interact. energy: -2.445
local terms energy: -680.049263
where:
bonds (distance) C4'-P energy: -138.348
bonds (distance) P-C4' energy: -145.766
flat angles C4'-P-C4' energy: -145.870
flat angles P-C4'-P energy: -104.060
tors. eta vs tors. theta energy: -146.005
Dist. restrs. and SS energy: 2.775 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -1928.357389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.357389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.060814 (E_RNA)
where:
Base-Base interactions energy: -1335.933
where: short stacking energy: -566.099
Base-Backbone interact. energy: -1.143
local terms energy: -594.984660
where:
bonds (distance) C4'-P energy: -116.387
bonds (distance) P-C4' energy: -117.750
flat angles C4'-P-C4' energy: -146.245
flat angles P-C4'-P energy: -78.571
tors. eta vs tors. theta energy: -136.031
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: 10, replica: 1
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -1926.048731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.048731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.347016 (E_RNA)
where:
Base-Base interactions energy: -1323.228
where: short stacking energy: -562.460
Base-Backbone interact. energy: -2.497
local terms energy: -602.621214
where:
bonds (distance) C4'-P energy: -131.310
bonds (distance) P-C4' energy: -112.661
flat angles C4'-P-C4' energy: -137.053
flat angles P-C4'-P energy: -74.861
tors. eta vs tors. theta energy: -146.736
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: 1, replica: 9
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -2970.637422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2970.637422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2972.582606 (E_RNA)
where:
Base-Base interactions energy: -2089.919
where: short stacking energy: -853.049
Base-Backbone interact. energy: -3.195
local terms energy: -879.468455
where:
bonds (distance) C4'-P energy: -154.550
bonds (distance) P-C4' energy: -163.882
flat angles C4'-P-C4' energy: -189.260
flat angles P-C4'-P energy: -133.453
tors. eta vs tors. theta energy: -238.324
Dist. restrs. and SS energy: 1.945 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -2822.059363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.059363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2823.253325 (E_RNA)
where:
Base-Base interactions energy: -1960.638
where: short stacking energy: -786.034
Base-Backbone interact. energy: -4.240
local terms energy: -858.375646
where:
bonds (distance) C4'-P energy: -148.975
bonds (distance) P-C4' energy: -164.640
flat angles C4'-P-C4' energy: -184.957
flat angles P-C4'-P energy: -128.388
tors. eta vs tors. theta energy: -231.415
Dist. restrs. and SS energy: 1.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -2755.919713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.919713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.952819 (E_RNA)
where:
Base-Base interactions energy: -1938.483
where: short stacking energy: -784.518
Base-Backbone interact. energy: -2.177
local terms energy: -816.293399
where:
bonds (distance) C4'-P energy: -139.322
bonds (distance) P-C4' energy: -169.921
flat angles C4'-P-C4' energy: -160.362
flat angles P-C4'-P energy: -116.078
tors. eta vs tors. theta energy: -230.610
Dist. restrs. and SS energy: 1.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -2645.013688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.013688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.929246 (E_RNA)
where:
Base-Base interactions energy: -1842.989
where: short stacking energy: -770.751
Base-Backbone interact. energy: 1.580
local terms energy: -805.519760
where:
bonds (distance) C4'-P energy: -135.265
bonds (distance) P-C4' energy: -156.639
flat angles C4'-P-C4' energy: -169.728
flat angles P-C4'-P energy: -111.639
tors. eta vs tors. theta energy: -232.249
Dist. restrs. and SS energy: 1.916 (S_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: 407
Temperature: 1.100000
Total energy: -2408.303805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.303805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.392694 (E_RNA)
where:
Base-Base interactions energy: -1623.868
where: short stacking energy: -702.263
Base-Backbone interact. energy: 0.622
local terms energy: -788.146612
where:
bonds (distance) C4'-P energy: -134.433
bonds (distance) P-C4' energy: -159.665
flat angles C4'-P-C4' energy: -177.686
flat angles P-C4'-P energy: -110.341
tors. eta vs tors. theta energy: -206.022
Dist. restrs. and SS energy: 3.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -2285.621366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.621366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.176530 (E_RNA)
where:
Base-Base interactions energy: -1519.962
where: short stacking energy: -679.377
Base-Backbone interact. energy: -2.037
local terms energy: -766.177804
where:
bonds (distance) C4'-P energy: -158.744
bonds (distance) P-C4' energy: -150.385
flat angles C4'-P-C4' energy: -176.334
flat angles P-C4'-P energy: -90.374
tors. eta vs tors. theta energy: -190.341
Dist. restrs. and SS energy: 2.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -2121.167102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.167102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.884717 (E_RNA)
where:
Base-Base interactions energy: -1433.356
where: short stacking energy: -617.186
Base-Backbone interact. energy: -1.941
local terms energy: -688.587851
where:
bonds (distance) C4'-P energy: -129.044
bonds (distance) P-C4' energy: -142.282
flat angles C4'-P-C4' energy: -151.901
flat angles P-C4'-P energy: -98.989
tors. eta vs tors. theta energy: -166.372
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: 8, replica: 2
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -2091.062214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.062214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.107435 (E_RNA)
where:
Base-Base interactions energy: -1411.833
where: short stacking energy: -610.503
Base-Backbone interact. energy: -1.115
local terms energy: -683.159915
where:
bonds (distance) C4'-P energy: -127.230
bonds (distance) P-C4' energy: -128.617
flat angles C4'-P-C4' energy: -153.495
flat angles P-C4'-P energy: -95.582
tors. eta vs tors. theta energy: -178.235
Dist. restrs. and SS energy: 5.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -1958.496167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.496167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.702667 (E_RNA)
where:
Base-Base interactions energy: -1331.158
where: short stacking energy: -580.400
Base-Backbone interact. energy: 6.208
local terms energy: -637.752887
where:
bonds (distance) C4'-P energy: -132.481
bonds (distance) P-C4' energy: -128.380
flat angles C4'-P-C4' energy: -146.765
flat angles P-C4'-P energy: -78.288
tors. eta vs tors. theta energy: -151.840
Dist. restrs. and SS energy: 4.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -1904.053485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.053485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.221666 (E_RNA)
where:
Base-Base interactions energy: -1331.988
where: short stacking energy: -559.892
Base-Backbone interact. energy: 0.129
local terms energy: -574.362287
where:
bonds (distance) C4'-P energy: -119.705
bonds (distance) P-C4' energy: -121.939
flat angles C4'-P-C4' energy: -114.494
flat angles P-C4'-P energy: -76.510
tors. eta vs tors. theta energy: -141.714
Dist. restrs. and SS energy: 2.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -2967.563576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2967.563576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2968.813034 (E_RNA)
where:
Base-Base interactions energy: -2073.086
where: short stacking energy: -849.312
Base-Backbone interact. energy: -5.301
local terms energy: -890.426407
where:
bonds (distance) C4'-P energy: -150.495
bonds (distance) P-C4' energy: -176.783
flat angles C4'-P-C4' energy: -185.283
flat angles P-C4'-P energy: -128.444
tors. eta vs tors. theta energy: -249.422
Dist. restrs. and SS energy: 1.249 (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: 7
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -2783.773296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.773296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2785.760306 (E_RNA)
where:
Base-Base interactions energy: -1931.994
where: short stacking energy: -808.839
Base-Backbone interact. energy: 0.553
local terms energy: -854.319438
where:
bonds (distance) C4'-P energy: -169.194
bonds (distance) P-C4' energy: -144.436
flat angles C4'-P-C4' energy: -179.169
flat angles P-C4'-P energy: -115.778
tors. eta vs tors. theta energy: -245.742
Dist. restrs. and SS energy: 1.987 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -2750.792975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2750.792975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2752.160275 (E_RNA)
where:
Base-Base interactions energy: -1936.375
where: short stacking energy: -822.580
Base-Backbone interact. energy: -3.176
local terms energy: -812.608477
where:
bonds (distance) C4'-P energy: -143.917
bonds (distance) P-C4' energy: -157.422
flat angles C4'-P-C4' energy: -168.187
flat angles P-C4'-P energy: -110.879
tors. eta vs tors. theta energy: -232.202
Dist. restrs. and SS energy: 1.367 (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: 5
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -2608.630963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.630963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.389125 (E_RNA)
where:
Base-Base interactions energy: -1808.218
where: short stacking energy: -768.793
Base-Backbone interact. energy: -2.731
local terms energy: -799.440395
where:
bonds (distance) C4'-P energy: -124.227
bonds (distance) P-C4' energy: -156.366
flat angles C4'-P-C4' energy: -164.863
flat angles P-C4'-P energy: -118.983
tors. eta vs tors. theta energy: -235.002
Dist. restrs. and SS energy: 1.758 (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: 8
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -2437.738344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.738344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.911519 (E_RNA)
where:
Base-Base interactions energy: -1685.560
where: short stacking energy: -693.297
Base-Backbone interact. energy: -1.546
local terms energy: -752.806286
where:
bonds (distance) C4'-P energy: -134.216
bonds (distance) P-C4' energy: -151.789
flat angles C4'-P-C4' energy: -176.413
flat angles P-C4'-P energy: -101.479
tors. eta vs tors. theta energy: -188.909
Dist. restrs. and SS energy: 2.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -2244.034657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.034657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.525150 (E_RNA)
where:
Base-Base interactions energy: -1525.265
where: short stacking energy: -656.997
Base-Backbone interact. energy: -2.701
local terms energy: -720.559450
where:
bonds (distance) C4'-P energy: -136.174
bonds (distance) P-C4' energy: -143.235
flat angles C4'-P-C4' energy: -155.614
flat angles P-C4'-P energy: -94.000
tors. eta vs tors. theta energy: -191.537
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: 10
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -2095.553973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.553973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.019246 (E_RNA)
where:
Base-Base interactions energy: -1445.945
where: short stacking energy: -620.431
Base-Backbone interact. energy: 1.276
local terms energy: -653.350800
where:
bonds (distance) C4'-P energy: -117.846
bonds (distance) P-C4' energy: -126.201
flat angles C4'-P-C4' energy: -134.590
flat angles P-C4'-P energy: -104.996
tors. eta vs tors. theta energy: -169.718
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: 8, replica: 2
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -2081.950011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.950011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.383374 (E_RNA)
where:
Base-Base interactions energy: -1426.426
where: short stacking energy: -623.066
Base-Backbone interact. energy: -4.341
local terms energy: -654.616783
where:
bonds (distance) C4'-P energy: -130.337
bonds (distance) P-C4' energy: -128.442
flat angles C4'-P-C4' energy: -155.147
flat angles P-C4'-P energy: -69.719
tors. eta vs tors. theta energy: -170.972
Dist. restrs. and SS energy: 3.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -1919.601326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.601326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.562606 (E_RNA)
where:
Base-Base interactions energy: -1339.783
where: short stacking energy: -549.020
Base-Backbone interact. energy: 12.496
local terms energy: -594.276336
where:
bonds (distance) C4'-P energy: -123.347
bonds (distance) P-C4' energy: -100.771
flat angles C4'-P-C4' energy: -131.964
flat angles P-C4'-P energy: -96.233
tors. eta vs tors. theta energy: -141.962
Dist. restrs. and SS energy: 1.961 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -1848.415421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.415421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.889032 (E_RNA)
where:
Base-Base interactions energy: -1269.243
where: short stacking energy: -520.452
Base-Backbone interact. energy: 1.042
local terms energy: -583.688242
where:
bonds (distance) C4'-P energy: -124.403
bonds (distance) P-C4' energy: -116.049
flat angles C4'-P-C4' energy: -148.941
flat angles P-C4'-P energy: -68.667
tors. eta vs tors. theta energy: -125.628
Dist. restrs. and SS energy: 3.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -2987.365584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2987.365584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2988.030277 (E_RNA)
where:
Base-Base interactions energy: -2101.475
where: short stacking energy: -877.654
Base-Backbone interact. energy: -1.727
local terms energy: -884.828333
where:
bonds (distance) C4'-P energy: -165.350
bonds (distance) P-C4' energy: -158.260
flat angles C4'-P-C4' energy: -183.068
flat angles P-C4'-P energy: -122.340
tors. eta vs tors. theta energy: -255.811
Dist. restrs. and SS energy: 0.665 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -2791.645550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.645550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.875441 (E_RNA)
where:
Base-Base interactions energy: -1936.416
where: short stacking energy: -796.695
Base-Backbone interact. energy: -5.923
local terms energy: -850.536027
where:
bonds (distance) C4'-P energy: -137.716
bonds (distance) P-C4' energy: -166.423
flat angles C4'-P-C4' energy: -179.670
flat angles P-C4'-P energy: -130.811
tors. eta vs tors. theta energy: -235.916
Dist. restrs. and SS energy: 1.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -2741.698325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.698325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.422031 (E_RNA)
where:
Base-Base interactions energy: -1887.305
where: short stacking energy: -783.523
Base-Backbone interact. energy: 2.191
local terms energy: -858.308050
where:
bonds (distance) C4'-P energy: -168.590
bonds (distance) P-C4' energy: -162.863
flat angles C4'-P-C4' energy: -182.290
flat angles P-C4'-P energy: -127.674
tors. eta vs tors. theta energy: -216.891
Dist. restrs. and SS energy: 1.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -2627.826601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.826601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.292921 (E_RNA)
where:
Base-Base interactions energy: -1824.116
where: short stacking energy: -740.955
Base-Backbone interact. energy: -1.405
local terms energy: -804.771855
where:
bonds (distance) C4'-P energy: -148.671
bonds (distance) P-C4' energy: -149.934
flat angles C4'-P-C4' energy: -173.580
flat angles P-C4'-P energy: -115.603
tors. eta vs tors. theta energy: -216.984
Dist. restrs. and SS energy: 2.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -2463.356761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.356761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.197365 (E_RNA)
where:
Base-Base interactions energy: -1701.216
where: short stacking energy: -710.499
Base-Backbone interact. energy: -2.834
local terms energy: -761.147854
where:
bonds (distance) C4'-P energy: -128.569
bonds (distance) P-C4' energy: -154.721
flat angles C4'-P-C4' energy: -172.260
flat angles P-C4'-P energy: -102.255
tors. eta vs tors. theta energy: -203.343
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: 6, replica: 6
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -2227.417049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.417049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.653271 (E_RNA)
where:
Base-Base interactions energy: -1488.378
where: short stacking energy: -661.474
Base-Backbone interact. energy: -2.522
local terms energy: -738.753580
where:
bonds (distance) C4'-P energy: -139.932
bonds (distance) P-C4' energy: -139.212
flat angles C4'-P-C4' energy: -166.229
flat angles P-C4'-P energy: -114.883
tors. eta vs tors. theta energy: -178.497
Dist. restrs. and SS energy: 2.236 (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: 409
Temperature: 1.200000
Total energy: -2111.899401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.899401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.061401 (E_RNA)
where:
Base-Base interactions energy: -1416.999
where: short stacking energy: -597.240
Base-Backbone interact. energy: -0.422
local terms energy: -696.640835
where:
bonds (distance) C4'-P energy: -131.962
bonds (distance) P-C4' energy: -154.454
flat angles C4'-P-C4' energy: -160.098
flat angles P-C4'-P energy: -87.119
tors. eta vs tors. theta energy: -163.008
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: 8, replica: 2
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -2092.189969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.189969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.721039 (E_RNA)
where:
Base-Base interactions energy: -1424.840
where: short stacking energy: -607.299
Base-Backbone interact. energy: 1.494
local terms energy: -671.375460
where:
bonds (distance) C4'-P energy: -134.406
bonds (distance) P-C4' energy: -128.565
flat angles C4'-P-C4' energy: -163.476
flat angles P-C4'-P energy: -86.574
tors. eta vs tors. theta energy: -158.354
Dist. restrs. and SS energy: 2.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -1943.864615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.864615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.426260 (E_RNA)
where:
Base-Base interactions energy: -1305.984
where: short stacking energy: -529.112
Base-Backbone interact. energy: 1.044
local terms energy: -641.486275
where:
bonds (distance) C4'-P energy: -127.302
bonds (distance) P-C4' energy: -151.220
flat angles C4'-P-C4' energy: -134.381
flat angles P-C4'-P energy: -91.401
tors. eta vs tors. theta energy: -137.182
Dist. restrs. and SS energy: 2.562 (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: 1
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -1891.460057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.460057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.700066 (E_RNA)
where:
Base-Base interactions energy: -1263.997
where: short stacking energy: -555.176
Base-Backbone interact. energy: 1.383
local terms energy: -633.086433
where:
bonds (distance) C4'-P energy: -116.315
bonds (distance) P-C4' energy: -151.329
flat angles C4'-P-C4' energy: -126.153
flat angles P-C4'-P energy: -89.979
tors. eta vs tors. theta energy: -149.311
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: 1, replica: 9
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -2981.652296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2981.652296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2983.280312 (E_RNA)
where:
Base-Base interactions energy: -2073.704
where: short stacking energy: -848.403
Base-Backbone interact. energy: 0.400
local terms energy: -909.976123
where:
bonds (distance) C4'-P energy: -155.192
bonds (distance) P-C4' energy: -162.311
flat angles C4'-P-C4' energy: -200.234
flat angles P-C4'-P energy: -128.311
tors. eta vs tors. theta energy: -263.928
Dist. restrs. and SS energy: 1.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -2810.742338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.742338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.541575 (E_RNA)
where:
Base-Base interactions energy: -1946.370
where: short stacking energy: -778.958
Base-Backbone interact. energy: 4.998
local terms energy: -870.169440
where:
bonds (distance) C4'-P energy: -159.743
bonds (distance) P-C4' energy: -183.451
flat angles C4'-P-C4' energy: -183.607
flat angles P-C4'-P energy: -119.763
tors. eta vs tors. theta energy: -223.605
Dist. restrs. and SS energy: 0.799 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -2730.242915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.242915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.028126 (E_RNA)
where:
Base-Base interactions energy: -1914.453
where: short stacking energy: -789.715
Base-Backbone interact. energy: -0.804
local terms energy: -816.771042
where:
bonds (distance) C4'-P energy: -146.439
bonds (distance) P-C4' energy: -156.332
flat angles C4'-P-C4' energy: -173.585
flat angles P-C4'-P energy: -119.947
tors. eta vs tors. theta energy: -220.468
Dist. restrs. and SS energy: 1.785 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -2659.248431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.248431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.253977 (E_RNA)
where:
Base-Base interactions energy: -1859.174
where: short stacking energy: -793.451
Base-Backbone interact. energy: 1.537
local terms energy: -803.617739
where:
bonds (distance) C4'-P energy: -138.996
bonds (distance) P-C4' energy: -132.548
flat angles C4'-P-C4' energy: -183.133
flat angles P-C4'-P energy: -122.628
tors. eta vs tors. theta energy: -226.312
Dist. restrs. and SS energy: 2.006 (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: 8
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -2449.007709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.007709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.297176 (E_RNA)
where:
Base-Base interactions energy: -1656.932
where: short stacking energy: -695.734
Base-Backbone interact. energy: -3.980
local terms energy: -790.385529
where:
bonds (distance) C4'-P energy: -137.314
bonds (distance) P-C4' energy: -157.164
flat angles C4'-P-C4' energy: -165.595
flat angles P-C4'-P energy: -120.449
tors. eta vs tors. theta energy: -209.863
Dist. restrs. and SS energy: 2.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -2210.082397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.082397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.064208 (E_RNA)
where:
Base-Base interactions energy: -1490.128
where: short stacking energy: -632.698
Base-Backbone interact. energy: -0.093
local terms energy: -721.843853
where:
bonds (distance) C4'-P energy: -145.081
bonds (distance) P-C4' energy: -144.340
flat angles C4'-P-C4' energy: -155.070
flat angles P-C4'-P energy: -100.787
tors. eta vs tors. theta energy: -176.567
Dist. restrs. and SS energy: 1.982 (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: 10
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -2138.950047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.950047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.668672 (E_RNA)
where:
Base-Base interactions energy: -1435.413
where: short stacking energy: -630.339
Base-Backbone interact. energy: -1.653
local terms energy: -704.603194
where:
bonds (distance) C4'-P energy: -130.286
bonds (distance) P-C4' energy: -152.316
flat angles C4'-P-C4' energy: -154.883
flat angles P-C4'-P energy: -93.742
tors. eta vs tors. theta energy: -173.375
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: 8, replica: 2
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -2054.094230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.094230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.643692 (E_RNA)
where:
Base-Base interactions energy: -1382.350
where: short stacking energy: -590.049
Base-Backbone interact. energy: 2.287
local terms energy: -676.580397
where:
bonds (distance) C4'-P energy: -130.498
bonds (distance) P-C4' energy: -151.638
flat angles C4'-P-C4' energy: -147.910
flat angles P-C4'-P energy: -99.869
tors. eta vs tors. theta energy: -146.665
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: 9, replica: 1
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -1936.231269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.231269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.511906 (E_RNA)
where:
Base-Base interactions energy: -1302.575
where: short stacking energy: -533.448
Base-Backbone interact. energy: 0.549
local terms energy: -637.485782
where:
bonds (distance) C4'-P energy: -117.747
bonds (distance) P-C4' energy: -127.521
flat angles C4'-P-C4' energy: -144.656
flat angles P-C4'-P energy: -100.339
tors. eta vs tors. theta energy: -147.222
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: 10, replica: 3
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -1857.084285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.084285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.637390 (E_RNA)
where:
Base-Base interactions energy: -1265.656
where: short stacking energy: -546.088
Base-Backbone interact. energy: 2.915
local terms energy: -598.896549
where:
bonds (distance) C4'-P energy: -127.311
bonds (distance) P-C4' energy: -119.693
flat angles C4'-P-C4' energy: -124.360
flat angles P-C4'-P energy: -87.624
tors. eta vs tors. theta energy: -139.909
Dist. restrs. and SS energy: 4.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -3003.973594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3003.973594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3005.680755 (E_RNA)
where:
Base-Base interactions energy: -2078.563
where: short stacking energy: -880.141
Base-Backbone interact. energy: -0.784
local terms energy: -926.334510
where:
bonds (distance) C4'-P energy: -172.352
bonds (distance) P-C4' energy: -166.664
flat angles C4'-P-C4' energy: -192.137
flat angles P-C4'-P energy: -128.335
tors. eta vs tors. theta energy: -266.847
Dist. restrs. and SS energy: 1.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -2782.296928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.296928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.018105 (E_RNA)
where:
Base-Base interactions energy: -1932.808
where: short stacking energy: -800.364
Base-Backbone interact. energy: -0.102
local terms energy: -851.107629
where:
bonds (distance) C4'-P energy: -159.673
bonds (distance) P-C4' energy: -143.720
flat angles C4'-P-C4' energy: -191.823
flat angles P-C4'-P energy: -131.544
tors. eta vs tors. theta energy: -224.348
Dist. restrs. and SS energy: 1.721 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -2720.137135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.137135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.524521 (E_RNA)
where:
Base-Base interactions energy: -1932.565
where: short stacking energy: -818.407
Base-Backbone interact. energy: -0.352
local terms energy: -788.607830
where:
bonds (distance) C4'-P energy: -139.199
bonds (distance) P-C4' energy: -134.231
flat angles C4'-P-C4' energy: -178.687
flat angles P-C4'-P energy: -110.715
tors. eta vs tors. theta energy: -225.776
Dist. restrs. and SS energy: 1.387 (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: 5
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -2634.326235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.326235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.154964 (E_RNA)
where:
Base-Base interactions energy: -1823.631
where: short stacking energy: -781.849
Base-Backbone interact. energy: 0.309
local terms energy: -812.832982
where:
bonds (distance) C4'-P energy: -149.219
bonds (distance) P-C4' energy: -144.203
flat angles C4'-P-C4' energy: -176.585
flat angles P-C4'-P energy: -101.938
tors. eta vs tors. theta energy: -240.888
Dist. restrs. and SS energy: 1.829 (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: 8
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -2476.134167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.134167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.493599 (E_RNA)
where:
Base-Base interactions energy: -1688.797
where: short stacking energy: -740.030
Base-Backbone interact. energy: 1.181
local terms energy: -790.877869
where:
bonds (distance) C4'-P energy: -145.373
bonds (distance) P-C4' energy: -146.916
flat angles C4'-P-C4' energy: -176.273
flat angles P-C4'-P energy: -111.011
tors. eta vs tors. theta energy: -211.304
Dist. restrs. and SS energy: 2.359 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -2210.134860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.134860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.668462 (E_RNA)
where:
Base-Base interactions energy: -1511.466
where: short stacking energy: -678.722
Base-Backbone interact. energy: 5.485
local terms energy: -705.687553
where:
bonds (distance) C4'-P energy: -131.014
bonds (distance) P-C4' energy: -137.210
flat angles C4'-P-C4' energy: -155.299
flat angles P-C4'-P energy: -105.845
tors. eta vs tors. theta energy: -176.319
Dist. restrs. and SS energy: 1.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -2153.713396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.713396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.963468 (E_RNA)
where:
Base-Base interactions energy: -1456.997
where: short stacking energy: -650.428
Base-Backbone interact. energy: -2.769
local terms energy: -697.197558
where:
bonds (distance) C4'-P energy: -127.947
bonds (distance) P-C4' energy: -147.350
flat angles C4'-P-C4' energy: -154.953
flat angles P-C4'-P energy: -100.333
tors. eta vs tors. theta energy: -166.616
Dist. restrs. and SS energy: 3.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -2038.202798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.202798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.068962 (E_RNA)
where:
Base-Base interactions energy: -1380.349
where: short stacking energy: -617.527
Base-Backbone interact. energy: 0.373
local terms energy: -661.093007
where:
bonds (distance) C4'-P energy: -123.862
bonds (distance) P-C4' energy: -127.258
flat angles C4'-P-C4' energy: -151.254
flat angles P-C4'-P energy: -96.861
tors. eta vs tors. theta energy: -161.858
Dist. restrs. and SS energy: 2.866 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -1933.290596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.290596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.110884 (E_RNA)
where:
Base-Base interactions energy: -1316.829
where: short stacking energy: -546.749
Base-Backbone interact. energy: -2.934
local terms energy: -618.348204
where:
bonds (distance) C4'-P energy: -109.637
bonds (distance) P-C4' energy: -133.355
flat angles C4'-P-C4' energy: -148.919
flat angles P-C4'-P energy: -86.638
tors. eta vs tors. theta energy: -139.799
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: 10, replica: 3
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -1871.657364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.657364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.200847 (E_RNA)
where:
Base-Base interactions energy: -1312.602
where: short stacking energy: -522.240
Base-Backbone interact. energy: 4.921
local terms energy: -566.519759
where:
bonds (distance) C4'-P energy: -115.367
bonds (distance) P-C4' energy: -113.063
flat angles C4'-P-C4' energy: -124.007
flat angles P-C4'-P energy: -91.465
tors. eta vs tors. theta energy: -122.618
Dist. restrs. and SS energy: 2.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -2995.201159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2995.201159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2997.419540 (E_RNA)
where:
Base-Base interactions energy: -2063.960
where: short stacking energy: -881.094
Base-Backbone interact. energy: -0.006
local terms energy: -933.453668
where:
bonds (distance) C4'-P energy: -168.998
bonds (distance) P-C4' energy: -162.589
flat angles C4'-P-C4' energy: -202.904
flat angles P-C4'-P energy: -132.684
tors. eta vs tors. theta energy: -266.279
Dist. restrs. and SS energy: 2.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -2801.573247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2801.573247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.112724 (E_RNA)
where:
Base-Base interactions energy: -1968.647
where: short stacking energy: -800.124
Base-Backbone interact. energy: -4.375
local terms energy: -830.090598
where:
bonds (distance) C4'-P energy: -149.856
bonds (distance) P-C4' energy: -159.690
flat angles C4'-P-C4' energy: -172.510
flat angles P-C4'-P energy: -111.657
tors. eta vs tors. theta energy: -236.377
Dist. restrs. and SS energy: 1.539 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -2765.640395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2765.640395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.553395 (E_RNA)
where:
Base-Base interactions energy: -1933.990
where: short stacking energy: -789.447
Base-Backbone interact. energy: -1.098
local terms energy: -831.465421
where:
bonds (distance) C4'-P energy: -146.779
bonds (distance) P-C4' energy: -158.831
flat angles C4'-P-C4' energy: -178.368
flat angles P-C4'-P energy: -123.147
tors. eta vs tors. theta energy: -224.341
Dist. restrs. and SS energy: 0.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -2654.728073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.728073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.487527 (E_RNA)
where:
Base-Base interactions energy: -1807.011
where: short stacking energy: -763.903
Base-Backbone interact. energy: -2.587
local terms energy: -846.889113
where:
bonds (distance) C4'-P energy: -146.583
bonds (distance) P-C4' energy: -160.190
flat angles C4'-P-C4' energy: -183.392
flat angles P-C4'-P energy: -123.788
tors. eta vs tors. theta energy: -232.936
Dist. restrs. and SS energy: 1.759 (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: 8
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -2439.700819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.700819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.621831 (E_RNA)
where:
Base-Base interactions energy: -1683.104
where: short stacking energy: -703.169
Base-Backbone interact. energy: -4.005
local terms energy: -753.512401
where:
bonds (distance) C4'-P energy: -129.989
bonds (distance) P-C4' energy: -148.389
flat angles C4'-P-C4' energy: -161.873
flat angles P-C4'-P energy: -110.188
tors. eta vs tors. theta energy: -203.074
Dist. restrs. and SS energy: 0.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -2241.824591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.824591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.611997 (E_RNA)
where:
Base-Base interactions energy: -1500.329
where: short stacking energy: -673.569
Base-Backbone interact. energy: 1.978
local terms energy: -746.261042
where:
bonds (distance) C4'-P energy: -141.257
bonds (distance) P-C4' energy: -149.707
flat angles C4'-P-C4' energy: -164.222
flat angles P-C4'-P energy: -102.306
tors. eta vs tors. theta energy: -188.770
Dist. restrs. and SS energy: 2.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -2053.657807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.657807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.699059 (E_RNA)
where:
Base-Base interactions energy: -1389.523
where: short stacking energy: -600.468
Base-Backbone interact. energy: 3.226
local terms energy: -669.401389
where:
bonds (distance) C4'-P energy: -138.414
bonds (distance) P-C4' energy: -131.329
flat angles C4'-P-C4' energy: -150.638
flat angles P-C4'-P energy: -84.115
tors. eta vs tors. theta energy: -164.905
Dist. restrs. and SS energy: 2.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -2019.421792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.421792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.446155 (E_RNA)
where:
Base-Base interactions energy: -1366.468
where: short stacking energy: -577.940
Base-Backbone interact. energy: -2.574
local terms energy: -653.404591
where:
bonds (distance) C4'-P energy: -125.523
bonds (distance) P-C4' energy: -126.992
flat angles C4'-P-C4' energy: -148.016
flat angles P-C4'-P energy: -77.442
tors. eta vs tors. theta energy: -175.432
Dist. restrs. and SS energy: 3.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -1976.139814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.139814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.097019 (E_RNA)
where:
Base-Base interactions energy: -1358.727
where: short stacking energy: -572.617
Base-Backbone interact. energy: -1.399
local terms energy: -621.970526
where:
bonds (distance) C4'-P energy: -130.571
bonds (distance) P-C4' energy: -122.196
flat angles C4'-P-C4' energy: -151.169
flat angles P-C4'-P energy: -74.916
tors. eta vs tors. theta energy: -143.119
Dist. restrs. and SS energy: 5.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -1878.896027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.896027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.892564 (E_RNA)
where:
Base-Base interactions energy: -1292.932
where: short stacking energy: -545.702
Base-Backbone interact. energy: -3.118
local terms energy: -585.842451
where:
bonds (distance) C4'-P energy: -118.957
bonds (distance) P-C4' energy: -107.808
flat angles C4'-P-C4' energy: -138.044
flat angles P-C4'-P energy: -82.639
tors. eta vs tors. theta energy: -138.394
Dist. restrs. and SS energy: 2.997 (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: 9
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -3008.582123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3008.582123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3010.933385 (E_RNA)
where:
Base-Base interactions energy: -2090.587
where: short stacking energy: -880.349
Base-Backbone interact. energy: -3.110
local terms energy: -917.236122
where:
bonds (distance) C4'-P energy: -161.354
bonds (distance) P-C4' energy: -161.355
flat angles C4'-P-C4' energy: -196.306
flat angles P-C4'-P energy: -137.099
tors. eta vs tors. theta energy: -261.122
Dist. restrs. and SS energy: 2.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -2828.565550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2828.565550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2829.884049 (E_RNA)
where:
Base-Base interactions energy: -1993.047
where: short stacking energy: -823.675
Base-Backbone interact. energy: -4.563
local terms energy: -832.274549
where:
bonds (distance) C4'-P energy: -132.235
bonds (distance) P-C4' energy: -164.702
flat angles C4'-P-C4' energy: -168.660
flat angles P-C4'-P energy: -118.052
tors. eta vs tors. theta energy: -248.625
Dist. restrs. and SS energy: 1.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -2720.203470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.203470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.389449 (E_RNA)
where:
Base-Base interactions energy: -1928.091
where: short stacking energy: -774.628
Base-Backbone interact. energy: -3.999
local terms energy: -790.299442
where:
bonds (distance) C4'-P energy: -151.947
bonds (distance) P-C4' energy: -146.098
flat angles C4'-P-C4' energy: -169.355
flat angles P-C4'-P energy: -120.184
tors. eta vs tors. theta energy: -202.716
Dist. restrs. and SS energy: 2.186 (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: 5
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -2681.501169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.501169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.891470 (E_RNA)
where:
Base-Base interactions energy: -1876.027
where: short stacking energy: -768.027
Base-Backbone interact. energy: -0.627
local terms energy: -806.237012
where:
bonds (distance) C4'-P energy: -150.353
bonds (distance) P-C4' energy: -148.822
flat angles C4'-P-C4' energy: -170.087
flat angles P-C4'-P energy: -113.860
tors. eta vs tors. theta energy: -223.114
Dist. restrs. and SS energy: 1.390 (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: 8
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -2398.949073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.949073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.633127 (E_RNA)
where:
Base-Base interactions energy: -1664.989
where: short stacking energy: -687.299
Base-Backbone interact. energy: 3.751
local terms energy: -740.395141
where:
bonds (distance) C4'-P energy: -140.125
bonds (distance) P-C4' energy: -158.898
flat angles C4'-P-C4' energy: -166.367
flat angles P-C4'-P energy: -97.561
tors. eta vs tors. theta energy: -177.445
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: 6, replica: 6
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -2235.723061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.723061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.297675 (E_RNA)
where:
Base-Base interactions energy: -1483.252
where: short stacking energy: -642.384
Base-Backbone interact. energy: 1.476
local terms energy: -756.521637
where:
bonds (distance) C4'-P energy: -152.939
bonds (distance) P-C4' energy: -143.911
flat angles C4'-P-C4' energy: -156.654
flat angles P-C4'-P energy: -110.339
tors. eta vs tors. theta energy: -192.679
Dist. restrs. and SS energy: 2.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -2059.903382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.903382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.113150 (E_RNA)
where:
Base-Base interactions energy: -1386.468
where: short stacking energy: -589.268
Base-Backbone interact. energy: -1.735
local terms energy: -673.909180
where:
bonds (distance) C4'-P energy: -130.962
bonds (distance) P-C4' energy: -142.375
flat angles C4'-P-C4' energy: -150.493
flat angles P-C4'-P energy: -95.894
tors. eta vs tors. theta energy: -154.186
Dist. restrs. and SS energy: 2.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -2039.682141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.682141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.168314 (E_RNA)
where:
Base-Base interactions energy: -1375.174
where: short stacking energy: -575.172
Base-Backbone interact. energy: 1.776
local terms energy: -669.770658
where:
bonds (distance) C4'-P energy: -139.523
bonds (distance) P-C4' energy: -143.496
flat angles C4'-P-C4' energy: -156.652
flat angles P-C4'-P energy: -70.002
tors. eta vs tors. theta energy: -160.098
Dist. restrs. and SS energy: 3.486 (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: 1
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -1940.103557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.103557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.265710 (E_RNA)
where:
Base-Base interactions energy: -1287.095
where: short stacking energy: -556.453
Base-Backbone interact. energy: -0.362
local terms energy: -656.808668
where:
bonds (distance) C4'-P energy: -139.894
bonds (distance) P-C4' energy: -118.293
flat angles C4'-P-C4' energy: -148.993
flat angles P-C4'-P energy: -90.858
tors. eta vs tors. theta energy: -158.771
Dist. restrs. and SS energy: 4.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -1833.658828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.658828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.722303 (E_RNA)
where:
Base-Base interactions energy: -1272.534
where: short stacking energy: -534.740
Base-Backbone interact. energy: 9.168
local terms energy: -574.356191
where:
bonds (distance) C4'-P energy: -110.411
bonds (distance) P-C4' energy: -128.969
flat angles C4'-P-C4' energy: -120.631
flat angles P-C4'-P energy: -81.374
tors. eta vs tors. theta energy: -132.971
Dist. restrs. and SS energy: 4.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -2988.833942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2988.833942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2991.039360 (E_RNA)
where:
Base-Base interactions energy: -2095.144
where: short stacking energy: -888.518
Base-Backbone interact. energy: 3.780
local terms energy: -899.674717
where:
bonds (distance) C4'-P energy: -159.878
bonds (distance) P-C4' energy: -157.684
flat angles C4'-P-C4' energy: -196.700
flat angles P-C4'-P energy: -123.328
tors. eta vs tors. theta energy: -262.084
Dist. restrs. and SS energy: 2.205 (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: 7
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -2819.850438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2819.850438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.356668 (E_RNA)
where:
Base-Base interactions energy: -1967.793
where: short stacking energy: -813.646
Base-Backbone interact. energy: 0.901
local terms energy: -854.464472
where:
bonds (distance) C4'-P energy: -157.421
bonds (distance) P-C4' energy: -157.484
flat angles C4'-P-C4' energy: -189.765
flat angles P-C4'-P energy: -115.558
tors. eta vs tors. theta energy: -234.237
Dist. restrs. and SS energy: 1.506 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -2718.374621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.374621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.360025 (E_RNA)
where:
Base-Base interactions energy: -1864.726
where: short stacking energy: -816.023
Base-Backbone interact. energy: -0.613
local terms energy: -855.021017
where:
bonds (distance) C4'-P energy: -153.857
bonds (distance) P-C4' energy: -165.775
flat angles C4'-P-C4' energy: -180.028
flat angles P-C4'-P energy: -113.091
tors. eta vs tors. theta energy: -242.270
Dist. restrs. and SS energy: 1.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -2673.170803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.170803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.855070 (E_RNA)
where:
Base-Base interactions energy: -1886.544
where: short stacking energy: -746.176
Base-Backbone interact. energy: 2.093
local terms energy: -790.404427
where:
bonds (distance) C4'-P energy: -131.578
bonds (distance) P-C4' energy: -150.955
flat angles C4'-P-C4' energy: -167.922
flat angles P-C4'-P energy: -114.217
tors. eta vs tors. theta energy: -225.733
Dist. restrs. and SS energy: 1.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -2419.566979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.566979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.796000 (E_RNA)
where:
Base-Base interactions energy: -1660.807
where: short stacking energy: -687.199
Base-Backbone interact. energy: 2.548
local terms energy: -762.537560
where:
bonds (distance) C4'-P energy: -135.953
bonds (distance) P-C4' energy: -143.238
flat angles C4'-P-C4' energy: -176.356
flat angles P-C4'-P energy: -105.253
tors. eta vs tors. theta energy: -201.738
Dist. restrs. and SS energy: 1.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -2261.651210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.651210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.781125 (E_RNA)
where:
Base-Base interactions energy: -1558.615
where: short stacking energy: -671.641
Base-Backbone interact. energy: -1.704
local terms energy: -703.462317
where:
bonds (distance) C4'-P energy: -113.077
bonds (distance) P-C4' energy: -149.318
flat angles C4'-P-C4' energy: -153.986
flat angles P-C4'-P energy: -105.745
tors. eta vs tors. theta energy: -181.337
Dist. restrs. and SS energy: 2.130 (S_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: 414
Temperature: 1.200000
Total energy: -2127.809794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.809794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.823466 (E_RNA)
where:
Base-Base interactions energy: -1438.166
where: short stacking energy: -597.794
Base-Backbone interact. energy: -0.865
local terms energy: -691.792421
where:
bonds (distance) C4'-P energy: -140.057
bonds (distance) P-C4' energy: -128.468
flat angles C4'-P-C4' energy: -150.359
flat angles P-C4'-P energy: -106.351
tors. eta vs tors. theta energy: -166.557
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: 8, replica: 2
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -1992.916573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.916573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.392192 (E_RNA)
where:
Base-Base interactions energy: -1346.888
where: short stacking energy: -561.550
Base-Backbone interact. energy: 0.206
local terms energy: -648.710129
where:
bonds (distance) C4'-P energy: -135.029
bonds (distance) P-C4' energy: -119.963
flat angles C4'-P-C4' energy: -152.398
flat angles P-C4'-P energy: -97.340
tors. eta vs tors. theta energy: -143.980
Dist. restrs. and SS energy: 2.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -1928.323716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.323716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.493015 (E_RNA)
where:
Base-Base interactions energy: -1313.291
where: short stacking energy: -560.951
Base-Backbone interact. energy: 3.786
local terms energy: -620.987213
where:
bonds (distance) C4'-P energy: -132.704
bonds (distance) P-C4' energy: -125.755
flat angles C4'-P-C4' energy: -144.988
flat angles P-C4'-P energy: -79.975
tors. eta vs tors. theta energy: -137.566
Dist. restrs. and SS energy: 2.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -1807.248665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.248665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.277303 (E_RNA)
where:
Base-Base interactions energy: -1214.450
where: short stacking energy: -510.887
Base-Backbone interact. energy: 0.108
local terms energy: -596.935774
where:
bonds (distance) C4'-P energy: -116.885
bonds (distance) P-C4' energy: -155.081
flat angles C4'-P-C4' energy: -131.296
flat angles P-C4'-P energy: -69.715
tors. eta vs tors. theta energy: -123.959
Dist. restrs. and SS energy: 4.029 (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: 9
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -2980.401462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2980.401462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2983.318618 (E_RNA)
where:
Base-Base interactions energy: -2084.082
where: short stacking energy: -886.583
Base-Backbone interact. energy: -4.683
local terms energy: -894.553618
where:
bonds (distance) C4'-P energy: -157.460
bonds (distance) P-C4' energy: -158.335
flat angles C4'-P-C4' energy: -188.751
flat angles P-C4'-P energy: -128.451
tors. eta vs tors. theta energy: -261.556
Dist. restrs. and SS energy: 2.917 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -2811.291031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.291031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.497843 (E_RNA)
where:
Base-Base interactions energy: -1964.566
where: short stacking energy: -837.692
Base-Backbone interact. energy: -4.891
local terms energy: -843.040158
where:
bonds (distance) C4'-P energy: -149.112
bonds (distance) P-C4' energy: -156.314
flat angles C4'-P-C4' energy: -184.537
flat angles P-C4'-P energy: -106.328
tors. eta vs tors. theta energy: -246.749
Dist. restrs. and SS energy: 1.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -2748.947966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2748.947966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.860197 (E_RNA)
where:
Base-Base interactions energy: -1907.609
where: short stacking energy: -801.952
Base-Backbone interact. energy: -2.566
local terms energy: -840.684980
where:
bonds (distance) C4'-P energy: -144.068
bonds (distance) P-C4' energy: -155.030
flat angles C4'-P-C4' energy: -182.793
flat angles P-C4'-P energy: -123.712
tors. eta vs tors. theta energy: -235.082
Dist. restrs. and SS energy: 1.912 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -2650.470771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.470771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.876641 (E_RNA)
where:
Base-Base interactions energy: -1849.583
where: short stacking energy: -745.988
Base-Backbone interact. energy: 1.524
local terms energy: -804.817986
where:
bonds (distance) C4'-P energy: -142.418
bonds (distance) P-C4' energy: -148.356
flat angles C4'-P-C4' energy: -178.086
flat angles P-C4'-P energy: -116.748
tors. eta vs tors. theta energy: -219.210
Dist. restrs. and SS energy: 2.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -2390.224423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.224423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.463527 (E_RNA)
where:
Base-Base interactions energy: -1607.062
where: short stacking energy: -687.786
Base-Backbone interact. energy: -0.293
local terms energy: -784.108722
where:
bonds (distance) C4'-P energy: -139.649
bonds (distance) P-C4' energy: -156.763
flat angles C4'-P-C4' energy: -157.118
flat angles P-C4'-P energy: -121.263
tors. eta vs tors. theta energy: -209.316
Dist. restrs. and SS energy: 1.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -2172.080896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.080896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.449168 (E_RNA)
where:
Base-Base interactions energy: -1442.494
where: short stacking energy: -618.451
Base-Backbone interact. energy: 3.374
local terms energy: -735.329122
where:
bonds (distance) C4'-P energy: -130.393
bonds (distance) P-C4' energy: -163.289
flat angles C4'-P-C4' energy: -161.051
flat angles P-C4'-P energy: -107.315
tors. eta vs tors. theta energy: -173.280
Dist. restrs. and SS energy: 2.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -2176.525856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.525856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.121523 (E_RNA)
where:
Base-Base interactions energy: -1478.037
where: short stacking energy: -633.241
Base-Backbone interact. energy: 2.225
local terms energy: -702.308887
where:
bonds (distance) C4'-P energy: -135.170
bonds (distance) P-C4' energy: -155.016
flat angles C4'-P-C4' energy: -152.293
flat angles P-C4'-P energy: -85.086
tors. eta vs tors. theta energy: -174.744
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: 8, replica: 2
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -1984.446678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.446678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.166682 (E_RNA)
where:
Base-Base interactions energy: -1331.891
where: short stacking energy: -537.972
Base-Backbone interact. energy: 0.416
local terms energy: -655.691631
where:
bonds (distance) C4'-P energy: -129.894
bonds (distance) P-C4' energy: -127.815
flat angles C4'-P-C4' energy: -158.166
flat angles P-C4'-P energy: -88.999
tors. eta vs tors. theta energy: -150.818
Dist. restrs. and SS energy: 2.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -1902.640982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.640982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.020243 (E_RNA)
where:
Base-Base interactions energy: -1294.753
where: short stacking energy: -518.742
Base-Backbone interact. energy: -3.302
local terms energy: -608.965112
where:
bonds (distance) C4'-P energy: -147.172
bonds (distance) P-C4' energy: -122.129
flat angles C4'-P-C4' energy: -114.418
flat angles P-C4'-P energy: -89.157
tors. eta vs tors. theta energy: -136.088
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: 10, replica: 3
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -1864.725961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.725961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.759506 (E_RNA)
where:
Base-Base interactions energy: -1240.308
where: short stacking energy: -500.245
Base-Backbone interact. energy: -1.401
local terms energy: -627.050777
where:
bonds (distance) C4'-P energy: -122.510
bonds (distance) P-C4' energy: -134.421
flat angles C4'-P-C4' energy: -155.479
flat angles P-C4'-P energy: -79.751
tors. eta vs tors. theta energy: -134.890
Dist. restrs. and SS energy: 4.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -2980.470879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2980.470879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2982.357209 (E_RNA)
where:
Base-Base interactions energy: -2079.018
where: short stacking energy: -872.098
Base-Backbone interact. energy: -1.134
local terms energy: -902.204565
where:
bonds (distance) C4'-P energy: -163.663
bonds (distance) P-C4' energy: -164.502
flat angles C4'-P-C4' energy: -180.231
flat angles P-C4'-P energy: -124.687
tors. eta vs tors. theta energy: -269.122
Dist. restrs. and SS energy: 1.886 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -2828.832120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2828.832120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2830.865849 (E_RNA)
where:
Base-Base interactions energy: -1934.466
where: short stacking energy: -808.904
Base-Backbone interact. energy: 1.153
local terms energy: -897.553345
where:
bonds (distance) C4'-P energy: -162.843
bonds (distance) P-C4' energy: -172.717
flat angles C4'-P-C4' energy: -185.544
flat angles P-C4'-P energy: -134.512
tors. eta vs tors. theta energy: -241.937
Dist. restrs. and SS energy: 2.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -2755.786572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.786572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.812455 (E_RNA)
where:
Base-Base interactions energy: -1941.407
where: short stacking energy: -780.747
Base-Backbone interact. energy: -2.191
local terms energy: -814.214470
where:
bonds (distance) C4'-P energy: -155.584
bonds (distance) P-C4' energy: -145.776
flat angles C4'-P-C4' energy: -177.397
flat angles P-C4'-P energy: -109.696
tors. eta vs tors. theta energy: -225.761
Dist. restrs. and SS energy: 2.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -2647.037761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.037761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.514100 (E_RNA)
where:
Base-Base interactions energy: -1845.552
where: short stacking energy: -783.765
Base-Backbone interact. energy: 2.601
local terms energy: -805.563109
where:
bonds (distance) C4'-P energy: -142.047
bonds (distance) P-C4' energy: -149.633
flat angles C4'-P-C4' energy: -181.308
flat angles P-C4'-P energy: -108.770
tors. eta vs tors. theta energy: -223.804
Dist. restrs. and SS energy: 1.476 (S_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: 416
Temperature: 1.100000
Total energy: -2391.650578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.650578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.489582 (E_RNA)
where:
Base-Base interactions energy: -1621.377
where: short stacking energy: -698.149
Base-Backbone interact. energy: -0.490
local terms energy: -772.622371
where:
bonds (distance) C4'-P energy: -136.768
bonds (distance) P-C4' energy: -135.388
flat angles C4'-P-C4' energy: -172.225
flat angles P-C4'-P energy: -117.189
tors. eta vs tors. theta energy: -211.053
Dist. restrs. and SS energy: 2.839 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -2180.594920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.594920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.021104 (E_RNA)
where:
Base-Base interactions energy: -1470.801
where: short stacking energy: -638.369
Base-Backbone interact. energy: -0.074
local terms energy: -711.145949
where:
bonds (distance) C4'-P energy: -140.928
bonds (distance) P-C4' energy: -135.622
flat angles C4'-P-C4' energy: -162.769
flat angles P-C4'-P energy: -103.998
tors. eta vs tors. theta energy: -167.830
Dist. restrs. and SS energy: 1.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -2124.511142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.511142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.808137 (E_RNA)
where:
Base-Base interactions energy: -1436.303
where: short stacking energy: -607.239
Base-Backbone interact. energy: -1.438
local terms energy: -688.067147
where:
bonds (distance) C4'-P energy: -138.066
bonds (distance) P-C4' energy: -123.944
flat angles C4'-P-C4' energy: -147.092
flat angles P-C4'-P energy: -101.212
tors. eta vs tors. theta energy: -177.753
Dist. restrs. and SS energy: 1.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -2039.449596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.449596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.574595 (E_RNA)
where:
Base-Base interactions energy: -1358.964
where: short stacking energy: -589.031
Base-Backbone interact. energy: -0.881
local terms energy: -681.729970
where:
bonds (distance) C4'-P energy: -153.825
bonds (distance) P-C4' energy: -141.418
flat angles C4'-P-C4' energy: -131.279
flat angles P-C4'-P energy: -102.495
tors. eta vs tors. theta energy: -152.713
Dist. restrs. and SS energy: 2.125 (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: 1
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -1918.294990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.294990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.152636 (E_RNA)
where:
Base-Base interactions energy: -1304.208
where: short stacking energy: -542.755
Base-Backbone interact. energy: -2.936
local terms energy: -617.008480
where:
bonds (distance) C4'-P energy: -105.256
bonds (distance) P-C4' energy: -142.143
flat angles C4'-P-C4' energy: -148.863
flat angles P-C4'-P energy: -84.944
tors. eta vs tors. theta energy: -135.802
Dist. restrs. and SS energy: 5.858 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -1867.529201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.529201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.622507 (E_RNA)
where:
Base-Base interactions energy: -1292.334
where: short stacking energy: -543.531
Base-Backbone interact. energy: -0.997
local terms energy: -576.292033
where:
bonds (distance) C4'-P energy: -103.769
bonds (distance) P-C4' energy: -129.095
flat angles C4'-P-C4' energy: -135.227
flat angles P-C4'-P energy: -95.049
tors. eta vs tors. theta energy: -113.153
Dist. restrs. and SS energy: 2.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -2978.183535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2978.183535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2981.699636 (E_RNA)
where:
Base-Base interactions energy: -2072.338
where: short stacking energy: -887.926
Base-Backbone interact. energy: -5.301
local terms energy: -904.060824
where:
bonds (distance) C4'-P energy: -172.367
bonds (distance) P-C4' energy: -169.230
flat angles C4'-P-C4' energy: -185.070
flat angles P-C4'-P energy: -114.206
tors. eta vs tors. theta energy: -263.187
Dist. restrs. and SS energy: 3.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -2805.204640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.204640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.609014 (E_RNA)
where:
Base-Base interactions energy: -1985.684
where: short stacking energy: -806.618
Base-Backbone interact. energy: -3.585
local terms energy: -817.340021
where:
bonds (distance) C4'-P energy: -154.808
bonds (distance) P-C4' energy: -145.383
flat angles C4'-P-C4' energy: -179.043
flat angles P-C4'-P energy: -115.037
tors. eta vs tors. theta energy: -223.069
Dist. restrs. and SS energy: 1.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -2730.228748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.228748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.497275 (E_RNA)
where:
Base-Base interactions energy: -1893.765
where: short stacking energy: -795.847
Base-Backbone interact. energy: 3.494
local terms energy: -842.225813
where:
bonds (distance) C4'-P energy: -155.892
bonds (distance) P-C4' energy: -161.698
flat angles C4'-P-C4' energy: -175.431
flat angles P-C4'-P energy: -115.604
tors. eta vs tors. theta energy: -233.601
Dist. restrs. and SS energy: 2.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -2653.196768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.196768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.193672 (E_RNA)
where:
Base-Base interactions energy: -1827.293
where: short stacking energy: -783.899
Base-Backbone interact. energy: 1.506
local terms energy: -828.406681
where:
bonds (distance) C4'-P energy: -152.405
bonds (distance) P-C4' energy: -146.165
flat angles C4'-P-C4' energy: -182.318
flat angles P-C4'-P energy: -114.848
tors. eta vs tors. theta energy: -232.671
Dist. restrs. and SS energy: 0.997 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -2406.957777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.957777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.752162 (E_RNA)
where:
Base-Base interactions energy: -1612.610
where: short stacking energy: -683.392
Base-Backbone interact. energy: 2.029
local terms energy: -798.171761
where:
bonds (distance) C4'-P energy: -142.276
bonds (distance) P-C4' energy: -151.554
flat angles C4'-P-C4' energy: -178.774
flat angles P-C4'-P energy: -111.226
tors. eta vs tors. theta energy: -214.342
Dist. restrs. and SS energy: 1.794 (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: 10
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -2204.018569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.018569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.412881 (E_RNA)
where:
Base-Base interactions energy: -1459.981
where: short stacking energy: -631.118
Base-Backbone interact. energy: -0.371
local terms energy: -745.060199
where:
bonds (distance) C4'-P energy: -150.264
bonds (distance) P-C4' energy: -150.675
flat angles C4'-P-C4' energy: -158.418
flat angles P-C4'-P energy: -113.470
tors. eta vs tors. theta energy: -172.233
Dist. restrs. and SS energy: 1.394 (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: 6
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -2150.646105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.646105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.068716 (E_RNA)
where:
Base-Base interactions energy: -1448.909
where: short stacking energy: -629.237
Base-Backbone interact. energy: 1.945
local terms energy: -706.104523
where:
bonds (distance) C4'-P energy: -127.445
bonds (distance) P-C4' energy: -147.479
flat angles C4'-P-C4' energy: -164.540
flat angles P-C4'-P energy: -86.377
tors. eta vs tors. theta energy: -180.263
Dist. restrs. and SS energy: 2.423 (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: 2
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -1956.591667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.591667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.412805 (E_RNA)
where:
Base-Base interactions energy: -1324.185
where: short stacking energy: -581.011
Base-Backbone interact. energy: 2.344
local terms energy: -637.571655
where:
bonds (distance) C4'-P energy: -122.536
bonds (distance) P-C4' energy: -131.372
flat angles C4'-P-C4' energy: -143.782
flat angles P-C4'-P energy: -92.602
tors. eta vs tors. theta energy: -147.280
Dist. restrs. and SS energy: 2.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -1948.481030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.481030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.239480 (E_RNA)
where:
Base-Base interactions energy: -1315.912
where: short stacking energy: -534.827
Base-Backbone interact. energy: 6.366
local terms energy: -640.693760
where:
bonds (distance) C4'-P energy: -131.527
bonds (distance) P-C4' energy: -134.484
flat angles C4'-P-C4' energy: -148.984
flat angles P-C4'-P energy: -100.932
tors. eta vs tors. theta energy: -124.767
Dist. restrs. and SS energy: 1.758 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -1812.736286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.736286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.536297 (E_RNA)
where:
Base-Base interactions energy: -1238.102
where: short stacking energy: -506.347
Base-Backbone interact. energy: -2.088
local terms energy: -575.346509
where:
bonds (distance) C4'-P energy: -117.727
bonds (distance) P-C4' energy: -138.378
flat angles C4'-P-C4' energy: -124.554
flat angles P-C4'-P energy: -78.016
tors. eta vs tors. theta energy: -116.672
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: 1, replica: 9
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -2999.253151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2999.253151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3001.419749 (E_RNA)
where:
Base-Base interactions energy: -2087.120
where: short stacking energy: -880.852
Base-Backbone interact. energy: -4.319
local terms energy: -909.980994
where:
bonds (distance) C4'-P energy: -149.257
bonds (distance) P-C4' energy: -177.080
flat angles C4'-P-C4' energy: -192.621
flat angles P-C4'-P energy: -122.300
tors. eta vs tors. theta energy: -268.722
Dist. restrs. and SS energy: 2.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -2831.920158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2831.920158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2833.950076 (E_RNA)
where:
Base-Base interactions energy: -1981.852
where: short stacking energy: -799.551
Base-Backbone interact. energy: -0.362
local terms energy: -851.736536
where:
bonds (distance) C4'-P energy: -155.488
bonds (distance) P-C4' energy: -171.302
flat angles C4'-P-C4' energy: -173.922
flat angles P-C4'-P energy: -119.448
tors. eta vs tors. theta energy: -231.576
Dist. restrs. and SS energy: 2.030 (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: 418
Temperature: 1.000000
Total energy: -2682.259750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.259750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.721954 (E_RNA)
where:
Base-Base interactions energy: -1861.109
where: short stacking energy: -777.932
Base-Backbone interact. energy: 4.223
local terms energy: -826.836492
where:
bonds (distance) C4'-P energy: -137.294
bonds (distance) P-C4' energy: -154.907
flat angles C4'-P-C4' energy: -181.408
flat angles P-C4'-P energy: -126.732
tors. eta vs tors. theta energy: -226.496
Dist. restrs. and SS energy: 1.462 (S_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: 418
Temperature: 1.050000
Total energy: -2637.860627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.860627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.711110 (E_RNA)
where:
Base-Base interactions energy: -1826.220
where: short stacking energy: -796.848
Base-Backbone interact. energy: -2.173
local terms energy: -811.318493
where:
bonds (distance) C4'-P energy: -140.429
bonds (distance) P-C4' energy: -145.591
flat angles C4'-P-C4' energy: -170.975
flat angles P-C4'-P energy: -120.147
tors. eta vs tors. theta energy: -234.176
Dist. restrs. and SS energy: 1.850 (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: 8
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -2387.395871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.395871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.446695 (E_RNA)
where:
Base-Base interactions energy: -1613.608
where: short stacking energy: -686.079
Base-Backbone interact. energy: -4.086
local terms energy: -772.752273
where:
bonds (distance) C4'-P energy: -137.461
bonds (distance) P-C4' energy: -145.687
flat angles C4'-P-C4' energy: -170.452
flat angles P-C4'-P energy: -121.114
tors. eta vs tors. theta energy: -198.038
Dist. restrs. and SS energy: 3.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -2234.953666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.953666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.909549 (E_RNA)
where:
Base-Base interactions energy: -1507.799
where: short stacking energy: -665.910
Base-Backbone interact. energy: -1.241
local terms energy: -727.869489
where:
bonds (distance) C4'-P energy: -140.609
bonds (distance) P-C4' energy: -138.975
flat angles C4'-P-C4' energy: -150.637
flat angles P-C4'-P energy: -101.317
tors. eta vs tors. theta energy: -196.331
Dist. restrs. and SS energy: 1.956 (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: 6
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -2209.053526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.053526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.797166 (E_RNA)
where:
Base-Base interactions energy: -1510.211
where: short stacking energy: -663.147
Base-Backbone interact. energy: 4.149
local terms energy: -704.735220
where:
bonds (distance) C4'-P energy: -138.496
bonds (distance) P-C4' energy: -114.355
flat angles C4'-P-C4' energy: -166.622
flat angles P-C4'-P energy: -104.341
tors. eta vs tors. theta energy: -180.921
Dist. restrs. and SS energy: 1.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -1988.225968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.225968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.541823 (E_RNA)
where:
Base-Base interactions energy: -1376.816
where: short stacking energy: -553.639
Base-Backbone interact. energy: 0.761
local terms energy: -614.486809
where:
bonds (distance) C4'-P energy: -127.076
bonds (distance) P-C4' energy: -130.503
flat angles C4'-P-C4' energy: -140.883
flat angles P-C4'-P energy: -80.098
tors. eta vs tors. theta energy: -135.927
Dist. restrs. and SS energy: 2.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -1929.233673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.233673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.737502 (E_RNA)
where:
Base-Base interactions energy: -1302.590
where: short stacking energy: -551.741
Base-Backbone interact. energy: -0.740
local terms energy: -628.407320
where:
bonds (distance) C4'-P energy: -123.121
bonds (distance) P-C4' energy: -116.781
flat angles C4'-P-C4' energy: -147.198
flat angles P-C4'-P energy: -93.663
tors. eta vs tors. theta energy: -147.644
Dist. restrs. and SS energy: 2.504 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -1871.189058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.189058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.576682 (E_RNA)
where:
Base-Base interactions energy: -1232.187
where: short stacking energy: -499.524
Base-Backbone interact. energy: -0.523
local terms energy: -640.866584
where:
bonds (distance) C4'-P energy: -123.860
bonds (distance) P-C4' energy: -142.422
flat angles C4'-P-C4' energy: -152.480
flat angles P-C4'-P energy: -95.187
tors. eta vs tors. theta energy: -126.918
Dist. restrs. and SS energy: 2.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -2978.637706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2978.637706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2981.147863 (E_RNA)
where:
Base-Base interactions energy: -2095.130
where: short stacking energy: -888.987
Base-Backbone interact. energy: -2.187
local terms energy: -883.831121
where:
bonds (distance) C4'-P energy: -148.370
bonds (distance) P-C4' energy: -159.352
flat angles C4'-P-C4' energy: -183.421
flat angles P-C4'-P energy: -119.658
tors. eta vs tors. theta energy: -273.031
Dist. restrs. and SS energy: 2.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -2772.309329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2772.309329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2775.098979 (E_RNA)
where:
Base-Base interactions energy: -1933.571
where: short stacking energy: -804.024
Base-Backbone interact. energy: -0.258
local terms energy: -841.270433
where:
bonds (distance) C4'-P energy: -151.074
bonds (distance) P-C4' energy: -146.380
flat angles C4'-P-C4' energy: -178.495
flat angles P-C4'-P energy: -135.219
tors. eta vs tors. theta energy: -230.102
Dist. restrs. and SS energy: 2.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -2708.825763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.825763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.995798 (E_RNA)
where:
Base-Base interactions energy: -1915.540
where: short stacking energy: -795.292
Base-Backbone interact. energy: -4.841
local terms energy: -789.615243
where:
bonds (distance) C4'-P energy: -120.676
bonds (distance) P-C4' energy: -145.876
flat angles C4'-P-C4' energy: -174.119
flat angles P-C4'-P energy: -117.663
tors. eta vs tors. theta energy: -231.282
Dist. restrs. and SS energy: 1.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -2613.276920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.276920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.959924 (E_RNA)
where:
Base-Base interactions energy: -1825.741
where: short stacking energy: -752.523
Base-Backbone interact. energy: -2.402
local terms energy: -786.816688
where:
bonds (distance) C4'-P energy: -134.424
bonds (distance) P-C4' energy: -145.268
flat angles C4'-P-C4' energy: -159.519
flat angles P-C4'-P energy: -125.163
tors. eta vs tors. theta energy: -222.444
Dist. restrs. and SS energy: 1.683 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -2400.303910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.303910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.238654 (E_RNA)
where:
Base-Base interactions energy: -1615.518
where: short stacking energy: -712.335
Base-Backbone interact. energy: -1.943
local terms energy: -784.777604
where:
bonds (distance) C4'-P energy: -157.885
bonds (distance) P-C4' energy: -145.576
flat angles C4'-P-C4' energy: -152.723
flat angles P-C4'-P energy: -119.331
tors. eta vs tors. theta energy: -209.261
Dist. restrs. and SS energy: 1.935 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -2201.050781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.050781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.724401 (E_RNA)
where:
Base-Base interactions energy: -1463.095
where: short stacking energy: -657.330
Base-Backbone interact. energy: 0.125
local terms energy: -740.753983
where:
bonds (distance) C4'-P energy: -126.835
bonds (distance) P-C4' energy: -168.475
flat angles C4'-P-C4' energy: -167.286
flat angles P-C4'-P energy: -94.450
tors. eta vs tors. theta energy: -183.708
Dist. restrs. and SS energy: 2.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -2120.906937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.906937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.501594 (E_RNA)
where:
Base-Base interactions energy: -1441.891
where: short stacking energy: -619.746
Base-Backbone interact. energy: -0.019
local terms energy: -680.591693
where:
bonds (distance) C4'-P energy: -126.004
bonds (distance) P-C4' energy: -130.430
flat angles C4'-P-C4' energy: -145.812
flat angles P-C4'-P energy: -105.809
tors. eta vs tors. theta energy: -172.537
Dist. restrs. and SS energy: 1.595 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -2012.265153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.265153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.644404 (E_RNA)
where:
Base-Base interactions energy: -1342.723
where: short stacking energy: -568.745
Base-Backbone interact. energy: 0.560
local terms energy: -672.482155
where:
bonds (distance) C4'-P energy: -140.848
bonds (distance) P-C4' energy: -141.676
flat angles C4'-P-C4' energy: -161.501
flat angles P-C4'-P energy: -81.549
tors. eta vs tors. theta energy: -146.908
Dist. restrs. and SS energy: 2.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -1957.331407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.331407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.462351 (E_RNA)
where:
Base-Base interactions energy: -1301.599
where: short stacking energy: -539.540
Base-Backbone interact. energy: -2.604
local terms energy: -655.259282
where:
bonds (distance) C4'-P energy: -135.765
bonds (distance) P-C4' energy: -134.288
flat angles C4'-P-C4' energy: -137.900
flat angles P-C4'-P energy: -106.351
tors. eta vs tors. theta energy: -140.956
Dist. restrs. and SS energy: 2.131 (S_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: -1810.131722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.131722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.945191 (E_RNA)
where:
Base-Base interactions energy: -1222.036
where: short stacking energy: -510.527
Base-Backbone interact. energy: -0.214
local terms energy: -591.695454
where:
bonds (distance) C4'-P energy: -133.734
bonds (distance) P-C4' energy: -137.190
flat angles C4'-P-C4' energy: -137.568
flat angles P-C4'-P energy: -70.391
tors. eta vs tors. theta energy: -112.813
Dist. restrs. and SS energy: 3.813 (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: 9
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -2978.008836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2978.008836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2980.035393 (E_RNA)
where:
Base-Base interactions energy: -2074.813
where: short stacking energy: -857.504
Base-Backbone interact. energy: -2.477
local terms energy: -902.745264
where:
bonds (distance) C4'-P energy: -172.293
bonds (distance) P-C4' energy: -162.327
flat angles C4'-P-C4' energy: -182.822
flat angles P-C4'-P energy: -131.043
tors. eta vs tors. theta energy: -254.261
Dist. restrs. and SS energy: 2.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -2734.791081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.791081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.536299 (E_RNA)
where:
Base-Base interactions energy: -1915.565
where: short stacking energy: -800.976
Base-Backbone interact. energy: -4.720
local terms energy: -815.251757
where:
bonds (distance) C4'-P energy: -143.158
bonds (distance) P-C4' energy: -162.320
flat angles C4'-P-C4' energy: -170.545
flat angles P-C4'-P energy: -111.802
tors. eta vs tors. theta energy: -227.428
Dist. restrs. and SS energy: 0.745 (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: 7
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -2737.322358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.322358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.609011 (E_RNA)
where:
Base-Base interactions energy: -1887.947
where: short stacking energy: -785.452
Base-Backbone interact. energy: 2.701
local terms energy: -853.363084
where:
bonds (distance) C4'-P energy: -156.053
bonds (distance) P-C4' energy: -160.028
flat angles C4'-P-C4' energy: -172.198
flat angles P-C4'-P energy: -128.639
tors. eta vs tors. theta energy: -236.444
Dist. restrs. and SS energy: 1.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -2584.174202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.174202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.410544 (E_RNA)
where:
Base-Base interactions energy: -1802.097
where: short stacking energy: -735.448
Base-Backbone interact. energy: 0.535
local terms energy: -783.848568
where:
bonds (distance) C4'-P energy: -144.828
bonds (distance) P-C4' energy: -144.879
flat angles C4'-P-C4' energy: -167.218
flat angles P-C4'-P energy: -121.459
tors. eta vs tors. theta energy: -205.464
Dist. restrs. and SS energy: 1.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -2413.838462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.838462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.896268 (E_RNA)
where:
Base-Base interactions energy: -1637.378
where: short stacking energy: -698.087
Base-Backbone interact. energy: -3.624
local terms energy: -774.894302
where:
bonds (distance) C4'-P energy: -152.119
bonds (distance) P-C4' energy: -151.413
flat angles C4'-P-C4' energy: -161.858
flat angles P-C4'-P energy: -110.999
tors. eta vs tors. theta energy: -198.505
Dist. restrs. and SS energy: 2.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -2180.893618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.893618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.868936 (E_RNA)
where:
Base-Base interactions energy: -1449.100
where: short stacking energy: -628.096
Base-Backbone interact. energy: 3.363
local terms energy: -737.132517
where:
bonds (distance) C4'-P energy: -159.817
bonds (distance) P-C4' energy: -156.783
flat angles C4'-P-C4' energy: -151.146
flat angles P-C4'-P energy: -97.273
tors. eta vs tors. theta energy: -172.113
Dist. restrs. and SS energy: 1.975 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -2084.742546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.742546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.710605 (E_RNA)
where:
Base-Base interactions energy: -1413.222
where: short stacking energy: -606.552
Base-Backbone interact. energy: 0.763
local terms energy: -674.251586
where:
bonds (distance) C4'-P energy: -138.216
bonds (distance) P-C4' energy: -127.412
flat angles C4'-P-C4' energy: -153.253
flat angles P-C4'-P energy: -87.309
tors. eta vs tors. theta energy: -168.062
Dist. restrs. and SS energy: 1.968 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -2032.020578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.020578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.921324 (E_RNA)
where:
Base-Base interactions energy: -1363.692
where: short stacking energy: -557.714
Base-Backbone interact. energy: 4.241
local terms energy: -675.471032
where:
bonds (distance) C4'-P energy: -123.207
bonds (distance) P-C4' energy: -141.069
flat angles C4'-P-C4' energy: -144.742
flat angles P-C4'-P energy: -108.197
tors. eta vs tors. theta energy: -158.256
Dist. restrs. and SS energy: 2.901 (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: 3
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -1917.454745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.454745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.819482 (E_RNA)
where:
Base-Base interactions energy: -1288.820
where: short stacking energy: -520.685
Base-Backbone interact. energy: -3.624
local terms energy: -628.375459
where:
bonds (distance) C4'-P energy: -129.735
bonds (distance) P-C4' energy: -126.180
flat angles C4'-P-C4' energy: -156.359
flat angles P-C4'-P energy: -74.054
tors. eta vs tors. theta energy: -142.048
Dist. restrs. and SS energy: 3.365 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -1832.920947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.920947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.918742 (E_RNA)
where:
Base-Base interactions energy: -1235.538
where: short stacking energy: -521.498
Base-Backbone interact. energy: -0.781
local terms energy: -600.599197
where:
bonds (distance) C4'-P energy: -108.087
bonds (distance) P-C4' energy: -149.772
flat angles C4'-P-C4' energy: -138.626
flat angles P-C4'-P energy: -86.399
tors. eta vs tors. theta energy: -117.715
Dist. restrs. and SS energy: 3.998 (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: 9
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -2985.569936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2985.569936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2988.141355 (E_RNA)
where:
Base-Base interactions energy: -2102.660
where: short stacking energy: -872.437
Base-Backbone interact. energy: -2.879
local terms energy: -882.602515
where:
bonds (distance) C4'-P energy: -160.099
bonds (distance) P-C4' energy: -158.242
flat angles C4'-P-C4' energy: -172.797
flat angles P-C4'-P energy: -127.006
tors. eta vs tors. theta energy: -264.459
Dist. restrs. and SS energy: 2.571 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -2799.515900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.515900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.994694 (E_RNA)
where:
Base-Base interactions energy: -1985.919
where: short stacking energy: -798.737
Base-Backbone interact. energy: -3.821
local terms energy: -811.255111
where:
bonds (distance) C4'-P energy: -144.433
bonds (distance) P-C4' energy: -152.929
flat angles C4'-P-C4' energy: -164.765
flat angles P-C4'-P energy: -113.684
tors. eta vs tors. theta energy: -235.444
Dist. restrs. and SS energy: 1.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -2749.185427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2749.185427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.290150 (E_RNA)
where:
Base-Base interactions energy: -1904.258
where: short stacking energy: -805.069
Base-Backbone interact. energy: -3.292
local terms energy: -842.739684
where:
bonds (distance) C4'-P energy: -157.529
bonds (distance) P-C4' energy: -155.771
flat angles C4'-P-C4' energy: -189.138
flat angles P-C4'-P energy: -97.103
tors. eta vs tors. theta energy: -243.199
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: 4, replica: 5
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -2543.297543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.297543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.968473 (E_RNA)
where:
Base-Base interactions energy: -1770.668
where: short stacking energy: -700.655
Base-Backbone interact. energy: -2.378
local terms energy: -771.922089
where:
bonds (distance) C4'-P energy: -133.893
bonds (distance) P-C4' energy: -147.807
flat angles C4'-P-C4' energy: -181.453
flat angles P-C4'-P energy: -101.116
tors. eta vs tors. theta energy: -207.654
Dist. restrs. and SS energy: 1.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -2434.578319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.578319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.763637 (E_RNA)
where:
Base-Base interactions energy: -1710.517
where: short stacking energy: -691.145
Base-Backbone interact. energy: 6.816
local terms energy: -734.062973
where:
bonds (distance) C4'-P energy: -125.595
bonds (distance) P-C4' energy: -150.220
flat angles C4'-P-C4' energy: -152.163
flat angles P-C4'-P energy: -108.761
tors. eta vs tors. theta energy: -197.324
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: 6, replica: 2
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -2153.151234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.151234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.633446 (E_RNA)
where:
Base-Base interactions energy: -1452.522
where: short stacking energy: -649.933
Base-Backbone interact. energy: 1.752
local terms energy: -704.863402
where:
bonds (distance) C4'-P energy: -127.418
bonds (distance) P-C4' energy: -149.700
flat angles C4'-P-C4' energy: -171.074
flat angles P-C4'-P energy: -93.967
tors. eta vs tors. theta energy: -162.704
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: 7, replica: 6
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -2106.231218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.231218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.925510 (E_RNA)
where:
Base-Base interactions energy: -1448.701
where: short stacking energy: -591.694
Base-Backbone interact. energy: 0.013
local terms energy: -659.237427
where:
bonds (distance) C4'-P energy: -131.466
bonds (distance) P-C4' energy: -153.150
flat angles C4'-P-C4' energy: -140.421
flat angles P-C4'-P energy: -83.917
tors. eta vs tors. theta energy: -150.283
Dist. restrs. and SS energy: 1.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -2024.221296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.221296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.769928 (E_RNA)
where:
Base-Base interactions energy: -1378.930
where: short stacking energy: -601.596
Base-Backbone interact. energy: -5.291
local terms energy: -642.548980
where:
bonds (distance) C4'-P energy: -124.394
bonds (distance) P-C4' energy: -140.307
flat angles C4'-P-C4' energy: -141.161
flat angles P-C4'-P energy: -72.274
tors. eta vs tors. theta energy: -164.414
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: 9, replica: 3
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -1908.052981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.052981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.045967 (E_RNA)
where:
Base-Base interactions energy: -1293.135
where: short stacking energy: -550.366
Base-Backbone interact. energy: -0.361
local terms energy: -619.550174
where:
bonds (distance) C4'-P energy: -129.605
bonds (distance) P-C4' energy: -112.792
flat angles C4'-P-C4' energy: -140.511
flat angles P-C4'-P energy: -86.861
tors. eta vs tors. theta energy: -149.780
Dist. restrs. and SS energy: 4.993 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -1808.944414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.944414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.035119 (E_RNA)
where:
Base-Base interactions energy: -1224.510
where: short stacking energy: -501.199
Base-Backbone interact. energy: 1.984
local terms energy: -589.509780
where:
bonds (distance) C4'-P energy: -119.500
bonds (distance) P-C4' energy: -133.465
flat angles C4'-P-C4' energy: -144.408
flat angles P-C4'-P energy: -75.372
tors. eta vs tors. theta energy: -116.765
Dist. restrs. and SS energy: 3.091 (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: 9
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -3009.119757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3009.119757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3011.605555 (E_RNA)
where:
Base-Base interactions energy: -2100.577
where: short stacking energy: -865.783
Base-Backbone interact. energy: 3.040
local terms energy: -914.068230
where:
bonds (distance) C4'-P energy: -164.790
bonds (distance) P-C4' energy: -159.487
flat angles C4'-P-C4' energy: -199.141
flat angles P-C4'-P energy: -125.771
tors. eta vs tors. theta energy: -264.880
Dist. restrs. and SS energy: 2.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -2833.753654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2833.753654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2835.174884 (E_RNA)
where:
Base-Base interactions energy: -1981.274
where: short stacking energy: -830.263
Base-Backbone interact. energy: -2.936
local terms energy: -850.965523
where:
bonds (distance) C4'-P energy: -159.603
bonds (distance) P-C4' energy: -155.262
flat angles C4'-P-C4' energy: -181.930
flat angles P-C4'-P energy: -120.100
tors. eta vs tors. theta energy: -234.070
Dist. restrs. and SS energy: 1.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -2771.015129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2771.015129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2772.966511 (E_RNA)
where:
Base-Base interactions energy: -1897.460
where: short stacking energy: -807.267
Base-Backbone interact. energy: -5.823
local terms energy: -869.683114
where:
bonds (distance) C4'-P energy: -155.495
bonds (distance) P-C4' energy: -160.340
flat angles C4'-P-C4' energy: -193.961
flat angles P-C4'-P energy: -123.872
tors. eta vs tors. theta energy: -236.015
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: 4, replica: 5
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -2581.300947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.300947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.442031 (E_RNA)
where:
Base-Base interactions energy: -1784.236
where: short stacking energy: -741.157
Base-Backbone interact. energy: -1.565
local terms energy: -797.640326
where:
bonds (distance) C4'-P energy: -137.808
bonds (distance) P-C4' energy: -160.625
flat angles C4'-P-C4' energy: -169.055
flat angles P-C4'-P energy: -117.264
tors. eta vs tors. theta energy: -212.888
Dist. restrs. and SS energy: 2.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -2373.269377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.269377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.140617 (E_RNA)
where:
Base-Base interactions energy: -1616.586
where: short stacking energy: -688.674
Base-Backbone interact. energy: -3.229
local terms energy: -756.325600
where:
bonds (distance) C4'-P energy: -136.049
bonds (distance) P-C4' energy: -143.012
flat angles C4'-P-C4' energy: -164.265
flat angles P-C4'-P energy: -107.094
tors. eta vs tors. theta energy: -205.907
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: 6, replica: 2
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -2182.082126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.082126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.892160 (E_RNA)
where:
Base-Base interactions energy: -1471.945
where: short stacking energy: -639.270
Base-Backbone interact. energy: 2.884
local terms energy: -714.831576
where:
bonds (distance) C4'-P energy: -145.260
bonds (distance) P-C4' energy: -150.161
flat angles C4'-P-C4' energy: -148.719
flat angles P-C4'-P energy: -97.379
tors. eta vs tors. theta energy: -173.314
Dist. restrs. and SS energy: 1.810 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -2133.570962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.570962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.789644 (E_RNA)
where:
Base-Base interactions energy: -1443.779
where: short stacking energy: -598.002
Base-Backbone interact. energy: -3.552
local terms energy: -690.459083
where:
bonds (distance) C4'-P energy: -141.244
bonds (distance) P-C4' energy: -117.519
flat angles C4'-P-C4' energy: -168.785
flat angles P-C4'-P energy: -84.471
tors. eta vs tors. theta energy: -178.441
Dist. restrs. and SS energy: 4.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -1973.044792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.044792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.902619 (E_RNA)
where:
Base-Base interactions energy: -1364.113
where: short stacking energy: -575.592
Base-Backbone interact. energy: 4.287
local terms energy: -616.076488
where:
bonds (distance) C4'-P energy: -126.525
bonds (distance) P-C4' energy: -126.015
flat angles C4'-P-C4' energy: -125.609
flat angles P-C4'-P energy: -90.554
tors. eta vs tors. theta energy: -147.373
Dist. restrs. and SS energy: 2.858 (S_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: 422
Temperature: 1.300000
Total energy: -1957.132156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.132156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.559464 (E_RNA)
where:
Base-Base interactions energy: -1346.835
where: short stacking energy: -525.862
Base-Backbone interact. energy: -0.337
local terms energy: -616.387506
where:
bonds (distance) C4'-P energy: -106.302
bonds (distance) P-C4' energy: -134.076
flat angles C4'-P-C4' energy: -137.415
flat angles P-C4'-P energy: -82.014
tors. eta vs tors. theta energy: -156.580
Dist. restrs. and SS energy: 6.427 (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: 1
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -1816.380235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.380235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.914124 (E_RNA)
where:
Base-Base interactions energy: -1244.207
where: short stacking energy: -484.594
Base-Backbone interact. energy: -5.625
local terms energy: -572.082363
where:
bonds (distance) C4'-P energy: -101.036
bonds (distance) P-C4' energy: -120.338
flat angles C4'-P-C4' energy: -128.799
flat angles P-C4'-P energy: -87.733
tors. eta vs tors. theta energy: -134.177
Dist. restrs. and SS energy: 5.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -3002.644975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3002.644975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3004.759024 (E_RNA)
where:
Base-Base interactions energy: -2090.555
where: short stacking energy: -860.661
Base-Backbone interact. energy: -2.056
local terms energy: -912.147541
where:
bonds (distance) C4'-P energy: -159.176
bonds (distance) P-C4' energy: -170.004
flat angles C4'-P-C4' energy: -187.004
flat angles P-C4'-P energy: -132.039
tors. eta vs tors. theta energy: -263.924
Dist. restrs. and SS energy: 2.114 (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: 4
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -2809.694239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.694239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.124077 (E_RNA)
where:
Base-Base interactions energy: -1968.176
where: short stacking energy: -831.466
Base-Backbone interact. energy: -6.170
local terms energy: -837.777335
where:
bonds (distance) C4'-P energy: -154.093
bonds (distance) P-C4' energy: -154.795
flat angles C4'-P-C4' energy: -177.762
flat angles P-C4'-P energy: -114.789
tors. eta vs tors. theta energy: -236.338
Dist. restrs. and SS energy: 2.430 (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: 7
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -2790.579941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.579941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.965623 (E_RNA)
where:
Base-Base interactions energy: -1958.973
where: short stacking energy: -800.188
Base-Backbone interact. energy: -4.803
local terms energy: -829.189147
where:
bonds (distance) C4'-P energy: -148.139
bonds (distance) P-C4' energy: -149.900
flat angles C4'-P-C4' energy: -181.126
flat angles P-C4'-P energy: -112.870
tors. eta vs tors. theta energy: -237.154
Dist. restrs. and SS energy: 2.386 (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: 5
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -2565.650983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.650983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.612258 (E_RNA)
where:
Base-Base interactions energy: -1793.940
where: short stacking energy: -775.153
Base-Backbone interact. energy: -0.869
local terms energy: -772.802641
where:
bonds (distance) C4'-P energy: -128.730
bonds (distance) P-C4' energy: -139.572
flat angles C4'-P-C4' energy: -183.596
flat angles P-C4'-P energy: -102.396
tors. eta vs tors. theta energy: -218.509
Dist. restrs. and SS energy: 1.961 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -2423.463429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.463429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.460752 (E_RNA)
where:
Base-Base interactions energy: -1655.340
where: short stacking energy: -700.357
Base-Backbone interact. energy: -3.278
local terms energy: -766.842015
where:
bonds (distance) C4'-P energy: -144.874
bonds (distance) P-C4' energy: -148.670
flat angles C4'-P-C4' energy: -165.162
flat angles P-C4'-P energy: -96.629
tors. eta vs tors. theta energy: -211.507
Dist. restrs. and SS energy: 1.997 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -2171.941532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.941532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.884529 (E_RNA)
where:
Base-Base interactions energy: -1452.369
where: short stacking energy: -644.132
Base-Backbone interact. energy: -3.773
local terms energy: -718.742440
where:
bonds (distance) C4'-P energy: -153.871
bonds (distance) P-C4' energy: -116.992
flat angles C4'-P-C4' energy: -161.164
flat angles P-C4'-P energy: -96.996
tors. eta vs tors. theta energy: -189.720
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: 7, replica: 6
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -2177.419899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.419899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.588822 (E_RNA)
where:
Base-Base interactions energy: -1462.535
where: short stacking energy: -638.981
Base-Backbone interact. energy: -1.358
local terms energy: -716.696372
where:
bonds (distance) C4'-P energy: -136.213
bonds (distance) P-C4' energy: -129.316
flat angles C4'-P-C4' energy: -160.425
flat angles P-C4'-P energy: -113.635
tors. eta vs tors. theta energy: -177.108
Dist. restrs. and SS energy: 3.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -2021.591429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.591429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.147672 (E_RNA)
where:
Base-Base interactions energy: -1389.251
where: short stacking energy: -591.410
Base-Backbone interact. energy: 5.467
local terms energy: -640.364043
where:
bonds (distance) C4'-P energy: -106.846
bonds (distance) P-C4' energy: -141.107
flat angles C4'-P-C4' energy: -160.614
flat angles P-C4'-P energy: -83.675
tors. eta vs tors. theta energy: -148.123
Dist. restrs. and SS energy: 2.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -1904.370846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.370846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.559098 (E_RNA)
where:
Base-Base interactions energy: -1309.365
where: short stacking energy: -540.897
Base-Backbone interact. energy: 0.373
local terms energy: -597.567428
where:
bonds (distance) C4'-P energy: -134.142
bonds (distance) P-C4' energy: -129.397
flat angles C4'-P-C4' energy: -120.395
flat angles P-C4'-P energy: -95.167
tors. eta vs tors. theta energy: -118.466
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: 10, replica: 1
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -1829.885613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.885613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.246259 (E_RNA)
where:
Base-Base interactions energy: -1244.078
where: short stacking energy: -520.402
Base-Backbone interact. energy: -0.328
local terms energy: -593.839889
where:
bonds (distance) C4'-P energy: -129.844
bonds (distance) P-C4' energy: -116.113
flat angles C4'-P-C4' energy: -130.212
flat angles P-C4'-P energy: -99.142
tors. eta vs tors. theta energy: -118.530
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: 1, replica: 9
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -2964.543977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2964.543977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2967.054747 (E_RNA)
where:
Base-Base interactions energy: -2098.502
where: short stacking energy: -846.138
Base-Backbone interact. energy: 1.062
local terms energy: -869.615200
where:
bonds (distance) C4'-P energy: -155.623
bonds (distance) P-C4' energy: -157.450
flat angles C4'-P-C4' energy: -180.182
flat angles P-C4'-P energy: -124.572
tors. eta vs tors. theta energy: -251.788
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: 4
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -2824.579050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2824.579050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2826.823414 (E_RNA)
where:
Base-Base interactions energy: -1956.787
where: short stacking energy: -833.495
Base-Backbone interact. energy: 0.719
local terms energy: -870.755425
where:
bonds (distance) C4'-P energy: -156.720
bonds (distance) P-C4' energy: -162.324
flat angles C4'-P-C4' energy: -188.243
flat angles P-C4'-P energy: -118.973
tors. eta vs tors. theta energy: -244.494
Dist. restrs. and SS energy: 2.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -2774.944303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.944303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.875203 (E_RNA)
where:
Base-Base interactions energy: -1933.345
where: short stacking energy: -809.308
Base-Backbone interact. energy: -5.815
local terms energy: -839.715347
where:
bonds (distance) C4'-P energy: -140.594
bonds (distance) P-C4' energy: -159.634
flat angles C4'-P-C4' energy: -179.873
flat angles P-C4'-P energy: -109.091
tors. eta vs tors. theta energy: -250.523
Dist. restrs. and SS energy: 3.931 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -2579.813931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.813931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.031638 (E_RNA)
where:
Base-Base interactions energy: -1820.966
where: short stacking energy: -781.232
Base-Backbone interact. energy: -0.043
local terms energy: -762.022640
where:
bonds (distance) C4'-P energy: -135.910
bonds (distance) P-C4' energy: -140.566
flat angles C4'-P-C4' energy: -170.979
flat angles P-C4'-P energy: -106.542
tors. eta vs tors. theta energy: -208.025
Dist. restrs. and SS energy: 3.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -2407.565172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.565172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.432869 (E_RNA)
where:
Base-Base interactions energy: -1651.493
where: short stacking energy: -692.509
Base-Backbone interact. energy: 3.622
local terms energy: -761.562788
where:
bonds (distance) C4'-P energy: -159.931
bonds (distance) P-C4' energy: -124.881
flat angles C4'-P-C4' energy: -173.236
flat angles P-C4'-P energy: -103.047
tors. eta vs tors. theta energy: -200.468
Dist. restrs. and SS energy: 1.868 (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: 2
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -2162.873696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.873696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.143263 (E_RNA)
where:
Base-Base interactions energy: -1446.149
where: short stacking energy: -619.919
Base-Backbone interact. energy: -1.424
local terms energy: -716.571131
where:
bonds (distance) C4'-P energy: -127.079
bonds (distance) P-C4' energy: -150.528
flat angles C4'-P-C4' energy: -149.567
flat angles P-C4'-P energy: -121.902
tors. eta vs tors. theta energy: -167.494
Dist. restrs. and SS energy: 1.270 (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: 424
Temperature: 1.200000
Total energy: -2160.033094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.033094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.059382 (E_RNA)
where:
Base-Base interactions energy: -1489.529
where: short stacking energy: -596.412
Base-Backbone interact. energy: -0.234
local terms energy: -672.296573
where:
bonds (distance) C4'-P energy: -133.888
bonds (distance) P-C4' energy: -134.982
flat angles C4'-P-C4' energy: -145.660
flat angles P-C4'-P energy: -83.206
tors. eta vs tors. theta energy: -174.561
Dist. restrs. and SS energy: 2.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -2007.553963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.553963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.957951 (E_RNA)
where:
Base-Base interactions energy: -1353.400
where: short stacking energy: -583.367
Base-Backbone interact. energy: -1.863
local terms energy: -655.695210
where:
bonds (distance) C4'-P energy: -121.004
bonds (distance) P-C4' energy: -139.211
flat angles C4'-P-C4' energy: -151.768
flat angles P-C4'-P energy: -96.412
tors. eta vs tors. theta energy: -147.300
Dist. restrs. and SS energy: 3.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -1955.450375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.450375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.845706 (E_RNA)
where:
Base-Base interactions energy: -1286.358
where: short stacking energy: -553.108
Base-Backbone interact. energy: -4.831
local terms energy: -666.656566
where:
bonds (distance) C4'-P energy: -143.019
bonds (distance) P-C4' energy: -131.366
flat angles C4'-P-C4' energy: -142.568
flat angles P-C4'-P energy: -108.157
tors. eta vs tors. theta energy: -141.547
Dist. restrs. and SS energy: 2.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -1809.043098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.043098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.281167 (E_RNA)
where:
Base-Base interactions energy: -1227.725
where: short stacking energy: -525.136
Base-Backbone interact. energy: -1.768
local terms energy: -586.788672
where:
bonds (distance) C4'-P energy: -123.214
bonds (distance) P-C4' energy: -128.324
flat angles C4'-P-C4' energy: -132.234
flat angles P-C4'-P energy: -77.046
tors. eta vs tors. theta energy: -125.972
Dist. restrs. and SS energy: 7.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -2971.537495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2971.537495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2973.677669 (E_RNA)
where:
Base-Base interactions energy: -2065.283
where: short stacking energy: -855.538
Base-Backbone interact. energy: -1.956
local terms energy: -906.437959
where:
bonds (distance) C4'-P energy: -160.875
bonds (distance) P-C4' energy: -170.872
flat angles C4'-P-C4' energy: -186.080
flat angles P-C4'-P energy: -132.890
tors. eta vs tors. theta energy: -255.721
Dist. restrs. and SS energy: 2.140 (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: 4
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -2788.730271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.730271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.962578 (E_RNA)
where:
Base-Base interactions energy: -1924.380
where: short stacking energy: -815.608
Base-Backbone interact. energy: -5.483
local terms energy: -862.099972
where:
bonds (distance) C4'-P energy: -143.735
bonds (distance) P-C4' energy: -163.816
flat angles C4'-P-C4' energy: -187.099
flat angles P-C4'-P energy: -128.779
tors. eta vs tors. theta energy: -238.671
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: 3, replica: 7
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -2766.567924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.567924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.814958 (E_RNA)
where:
Base-Base interactions energy: -1942.808
where: short stacking energy: -786.036
Base-Backbone interact. energy: -3.737
local terms energy: -822.269874
where:
bonds (distance) C4'-P energy: -154.769
bonds (distance) P-C4' energy: -146.510
flat angles C4'-P-C4' energy: -187.366
flat angles P-C4'-P energy: -117.339
tors. eta vs tors. theta energy: -216.286
Dist. restrs. and SS energy: 2.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -2475.139378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.139378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.231497 (E_RNA)
where:
Base-Base interactions energy: -1693.645
where: short stacking energy: -717.005
Base-Backbone interact. energy: -2.721
local terms energy: -780.864862
where:
bonds (distance) C4'-P energy: -122.333
bonds (distance) P-C4' energy: -159.659
flat angles C4'-P-C4' energy: -161.879
flat angles P-C4'-P energy: -120.538
tors. eta vs tors. theta energy: -216.456
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: 5
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -2535.126591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.126591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.938958 (E_RNA)
where:
Base-Base interactions energy: -1735.869
where: short stacking energy: -720.921
Base-Backbone interact. energy: -1.609
local terms energy: -800.460926
where:
bonds (distance) C4'-P energy: -147.440
bonds (distance) P-C4' energy: -163.831
flat angles C4'-P-C4' energy: -167.470
flat angles P-C4'-P energy: -101.707
tors. eta vs tors. theta energy: -220.013
Dist. restrs. and SS energy: 2.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -2226.227611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.227611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.125981 (E_RNA)
where:
Base-Base interactions energy: -1522.329
where: short stacking energy: -632.404
Base-Backbone interact. energy: -1.692
local terms energy: -704.105097
where:
bonds (distance) C4'-P energy: -139.456
bonds (distance) P-C4' energy: -113.124
flat angles C4'-P-C4' energy: -161.538
flat angles P-C4'-P energy: -110.625
tors. eta vs tors. theta energy: -179.361
Dist. restrs. and SS energy: 1.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -2090.845637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.845637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.853509 (E_RNA)
where:
Base-Base interactions energy: -1399.019
where: short stacking energy: -603.052
Base-Backbone interact. energy: -3.699
local terms energy: -692.135827
where:
bonds (distance) C4'-P energy: -143.855
bonds (distance) P-C4' energy: -138.580
flat angles C4'-P-C4' energy: -154.960
flat angles P-C4'-P energy: -97.240
tors. eta vs tors. theta energy: -157.502
Dist. restrs. and SS energy: 4.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -1973.078587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.078587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.048305 (E_RNA)
where:
Base-Base interactions energy: -1298.286
where: short stacking energy: -541.718
Base-Backbone interact. energy: 0.916
local terms energy: -679.678116
where:
bonds (distance) C4'-P energy: -134.439
bonds (distance) P-C4' energy: -161.942
flat angles C4'-P-C4' energy: -157.372
flat angles P-C4'-P energy: -80.070
tors. eta vs tors. theta energy: -145.856
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: 9, replica: 10
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -1970.643061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.643061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.061581 (E_RNA)
where:
Base-Base interactions energy: -1327.896
where: short stacking energy: -558.531
Base-Backbone interact. energy: 2.525
local terms energy: -647.690583
where:
bonds (distance) C4'-P energy: -132.933
bonds (distance) P-C4' energy: -145.331
flat angles C4'-P-C4' energy: -140.056
flat angles P-C4'-P energy: -88.177
tors. eta vs tors. theta energy: -141.194
Dist. restrs. and SS energy: 2.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -1798.595956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.595956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.226086 (E_RNA)
where:
Base-Base interactions energy: -1245.607
where: short stacking energy: -495.347
Base-Backbone interact. energy: 7.564
local terms energy: -566.183362
where:
bonds (distance) C4'-P energy: -99.324
bonds (distance) P-C4' energy: -123.787
flat angles C4'-P-C4' energy: -148.822
flat angles P-C4'-P energy: -88.171
tors. eta vs tors. theta energy: -106.080
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: 1, replica: 9
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -2952.118194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2952.118194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2954.810978 (E_RNA)
where:
Base-Base interactions energy: -2070.173
where: short stacking energy: -833.320
Base-Backbone interact. energy: 1.052
local terms energy: -885.689616
where:
bonds (distance) C4'-P energy: -155.069
bonds (distance) P-C4' energy: -167.639
flat angles C4'-P-C4' energy: -190.201
flat angles P-C4'-P energy: -117.145
tors. eta vs tors. theta energy: -255.636
Dist. restrs. and SS energy: 2.693 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -2838.681498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2838.681498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2841.363233 (E_RNA)
where:
Base-Base interactions energy: -1992.468
where: short stacking energy: -849.154
Base-Backbone interact. energy: -0.209
local terms energy: -848.686094
where:
bonds (distance) C4'-P energy: -135.971
bonds (distance) P-C4' energy: -162.131
flat angles C4'-P-C4' energy: -181.109
flat angles P-C4'-P energy: -123.696
tors. eta vs tors. theta energy: -245.779
Dist. restrs. and SS energy: 2.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -2756.618360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.618360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2759.861343 (E_RNA)
where:
Base-Base interactions energy: -1924.789
where: short stacking energy: -809.131
Base-Backbone interact. energy: -5.301
local terms energy: -829.772069
where:
bonds (distance) C4'-P energy: -138.976
bonds (distance) P-C4' energy: -156.353
flat angles C4'-P-C4' energy: -179.591
flat angles P-C4'-P energy: -113.483
tors. eta vs tors. theta energy: -241.370
Dist. restrs. and SS energy: 3.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -2496.572572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.572572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.030990 (E_RNA)
where:
Base-Base interactions energy: -1699.725
where: short stacking energy: -705.549
Base-Backbone interact. energy: -2.830
local terms energy: -795.476837
where:
bonds (distance) C4'-P energy: -147.488
bonds (distance) P-C4' energy: -152.198
flat angles C4'-P-C4' energy: -161.934
flat angles P-C4'-P energy: -120.782
tors. eta vs tors. theta energy: -213.075
Dist. restrs. and SS energy: 1.458 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -2569.758250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.758250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.590304 (E_RNA)
where:
Base-Base interactions energy: -1828.503
where: short stacking energy: -750.589
Base-Backbone interact. energy: -1.006
local terms energy: -743.081844
where:
bonds (distance) C4'-P energy: -148.415
bonds (distance) P-C4' energy: -128.124
flat angles C4'-P-C4' energy: -151.876
flat angles P-C4'-P energy: -99.116
tors. eta vs tors. theta energy: -215.550
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: 6, replica: 6
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -2260.618215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.618215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.703616 (E_RNA)
where:
Base-Base interactions energy: -1527.717
where: short stacking energy: -631.972
Base-Backbone interact. energy: -0.606
local terms energy: -734.380524
where:
bonds (distance) C4'-P energy: -143.521
bonds (distance) P-C4' energy: -137.265
flat angles C4'-P-C4' energy: -159.439
flat angles P-C4'-P energy: -111.590
tors. eta vs tors. theta energy: -182.566
Dist. restrs. and SS energy: 2.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -2062.876269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.876269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.028388 (E_RNA)
where:
Base-Base interactions energy: -1381.639
where: short stacking energy: -606.955
Base-Backbone interact. energy: -0.061
local terms energy: -683.328505
where:
bonds (distance) C4'-P energy: -148.359
bonds (distance) P-C4' energy: -108.523
flat angles C4'-P-C4' energy: -139.775
flat angles P-C4'-P energy: -109.729
tors. eta vs tors. theta energy: -176.943
Dist. restrs. and SS energy: 2.152 (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: 3
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -2037.128618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.128618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.839879 (E_RNA)
where:
Base-Base interactions energy: -1368.460
where: short stacking energy: -577.372
Base-Backbone interact. energy: 0.078
local terms energy: -671.458013
where:
bonds (distance) C4'-P energy: -121.671
bonds (distance) P-C4' energy: -134.270
flat angles C4'-P-C4' energy: -147.320
flat angles P-C4'-P energy: -103.672
tors. eta vs tors. theta energy: -164.526
Dist. restrs. and SS energy: 2.711 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -1926.028862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.028862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.418573 (E_RNA)
where:
Base-Base interactions energy: -1316.004
where: short stacking energy: -559.550
Base-Backbone interact. energy: -3.161
local terms energy: -608.253520
where:
bonds (distance) C4'-P energy: -128.648
bonds (distance) P-C4' energy: -117.826
flat angles C4'-P-C4' energy: -146.639
flat angles P-C4'-P energy: -72.599
tors. eta vs tors. theta energy: -142.542
Dist. restrs. and SS energy: 1.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -1876.119147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.119147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.134033 (E_RNA)
where:
Base-Base interactions energy: -1298.543
where: short stacking energy: -525.967
Base-Backbone interact. energy: -4.232
local terms energy: -575.358843
where:
bonds (distance) C4'-P energy: -123.222
bonds (distance) P-C4' energy: -115.172
flat angles C4'-P-C4' energy: -135.028
flat angles P-C4'-P energy: -82.951
tors. eta vs tors. theta energy: -118.985
Dist. restrs. and SS energy: 2.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -3012.092444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3012.092444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3014.549920 (E_RNA)
where:
Base-Base interactions energy: -2123.243
where: short stacking energy: -882.995
Base-Backbone interact. energy: -2.837
local terms energy: -888.470682
where:
bonds (distance) C4'-P energy: -151.992
bonds (distance) P-C4' energy: -165.736
flat angles C4'-P-C4' energy: -184.747
flat angles P-C4'-P energy: -123.302
tors. eta vs tors. theta energy: -262.693
Dist. restrs. and SS energy: 2.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -2813.231974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.231974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.725569 (E_RNA)
where:
Base-Base interactions energy: -1947.770
where: short stacking energy: -803.825
Base-Backbone interact. energy: -3.513
local terms energy: -863.442457
where:
bonds (distance) C4'-P energy: -158.068
bonds (distance) P-C4' energy: -158.937
flat angles C4'-P-C4' energy: -191.472
flat angles P-C4'-P energy: -119.010
tors. eta vs tors. theta energy: -235.956
Dist. restrs. and SS energy: 1.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -2767.129736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.129736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2769.392294 (E_RNA)
where:
Base-Base interactions energy: -1922.892
where: short stacking energy: -804.346
Base-Backbone interact. energy: -0.244
local terms energy: -846.256836
where:
bonds (distance) C4'-P energy: -142.584
bonds (distance) P-C4' energy: -160.504
flat angles C4'-P-C4' energy: -191.952
flat angles P-C4'-P energy: -114.410
tors. eta vs tors. theta energy: -236.807
Dist. restrs. and SS energy: 2.263 (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: 5
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -2686.259855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.259855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.738969 (E_RNA)
where:
Base-Base interactions energy: -1866.452
where: short stacking energy: -749.524
Base-Backbone interact. energy: 2.776
local terms energy: -824.063466
where:
bonds (distance) C4'-P energy: -155.882
bonds (distance) P-C4' energy: -153.135
flat angles C4'-P-C4' energy: -179.755
flat angles P-C4'-P energy: -111.547
tors. eta vs tors. theta energy: -223.744
Dist. restrs. and SS energy: 1.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -2443.720462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.720462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.501499 (E_RNA)
where:
Base-Base interactions energy: -1638.586
where: short stacking energy: -713.727
Base-Backbone interact. energy: -1.870
local terms energy: -806.045157
where:
bonds (distance) C4'-P energy: -152.581
bonds (distance) P-C4' energy: -140.966
flat angles C4'-P-C4' energy: -181.521
flat angles P-C4'-P energy: -117.927
tors. eta vs tors. theta energy: -213.050
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: 6, replica: 6
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -2272.618895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.618895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.916720 (E_RNA)
where:
Base-Base interactions energy: -1546.349
where: short stacking energy: -658.364
Base-Backbone interact. energy: -3.328
local terms energy: -725.240145
where:
bonds (distance) C4'-P energy: -146.769
bonds (distance) P-C4' energy: -136.630
flat angles C4'-P-C4' energy: -146.989
flat angles P-C4'-P energy: -100.099
tors. eta vs tors. theta energy: -194.753
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: 7, replica: 2
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -2088.458959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.458959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.376405 (E_RNA)
where:
Base-Base interactions energy: -1444.369
where: short stacking energy: -611.445
Base-Backbone interact. energy: -3.865
local terms energy: -642.142426
where:
bonds (distance) C4'-P energy: -117.215
bonds (distance) P-C4' energy: -139.504
flat angles C4'-P-C4' energy: -148.346
flat angles P-C4'-P energy: -79.795
tors. eta vs tors. theta energy: -157.282
Dist. restrs. and SS energy: 1.917 (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: 3
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -2059.238241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.238241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.794030 (E_RNA)
where:
Base-Base interactions energy: -1388.868
where: short stacking energy: -622.331
Base-Backbone interact. energy: -2.416
local terms energy: -674.510485
where:
bonds (distance) C4'-P energy: -143.486
bonds (distance) P-C4' energy: -123.270
flat angles C4'-P-C4' energy: -152.475
flat angles P-C4'-P energy: -93.044
tors. eta vs tors. theta energy: -162.236
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: 9, replica: 1
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -1956.688236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.688236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.828446 (E_RNA)
where:
Base-Base interactions energy: -1313.983
where: short stacking energy: -557.549
Base-Backbone interact. energy: 4.629
local terms energy: -649.474294
where:
bonds (distance) C4'-P energy: -124.101
bonds (distance) P-C4' energy: -137.655
flat angles C4'-P-C4' energy: -131.460
flat angles P-C4'-P energy: -109.355
tors. eta vs tors. theta energy: -146.904
Dist. restrs. and SS energy: 2.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -1865.592742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.592742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.801735 (E_RNA)
where:
Base-Base interactions energy: -1260.515
where: short stacking energy: -504.330
Base-Backbone interact. energy: 1.416
local terms energy: -609.702826
where:
bonds (distance) C4'-P energy: -117.517
bonds (distance) P-C4' energy: -135.213
flat angles C4'-P-C4' energy: -142.862
flat angles P-C4'-P energy: -80.619
tors. eta vs tors. theta energy: -133.492
Dist. restrs. and SS energy: 3.209 (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: 9
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -2990.617930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2990.617930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2993.228590 (E_RNA)
where:
Base-Base interactions energy: -2101.710
where: short stacking energy: -871.093
Base-Backbone interact. energy: -3.617
local terms energy: -887.902019
where:
bonds (distance) C4'-P energy: -154.275
bonds (distance) P-C4' energy: -168.740
flat angles C4'-P-C4' energy: -185.232
flat angles P-C4'-P energy: -120.603
tors. eta vs tors. theta energy: -259.051
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: 4
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -2817.482798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.482798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2820.979424 (E_RNA)
where:
Base-Base interactions energy: -1986.206
where: short stacking energy: -823.963
Base-Backbone interact. energy: -2.425
local terms energy: -832.348189
where:
bonds (distance) C4'-P energy: -158.010
bonds (distance) P-C4' energy: -157.368
flat angles C4'-P-C4' energy: -172.885
flat angles P-C4'-P energy: -109.303
tors. eta vs tors. theta energy: -234.781
Dist. restrs. and SS energy: 3.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -2769.590495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.590495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2771.692982 (E_RNA)
where:
Base-Base interactions energy: -1929.778
where: short stacking energy: -823.003
Base-Backbone interact. energy: -3.398
local terms energy: -838.517066
where:
bonds (distance) C4'-P energy: -145.189
bonds (distance) P-C4' energy: -159.449
flat angles C4'-P-C4' energy: -180.096
flat angles P-C4'-P energy: -125.155
tors. eta vs tors. theta energy: -228.628
Dist. restrs. and SS energy: 2.102 (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: 5
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -2644.653499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.653499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.110913 (E_RNA)
where:
Base-Base interactions energy: -1866.035
where: short stacking energy: -788.676
Base-Backbone interact. energy: -1.756
local terms energy: -778.320631
where:
bonds (distance) C4'-P energy: -141.506
bonds (distance) P-C4' energy: -143.472
flat angles C4'-P-C4' energy: -163.812
flat angles P-C4'-P energy: -102.119
tors. eta vs tors. theta energy: -227.412
Dist. restrs. and SS energy: 1.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -2415.771950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.771950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.452963 (E_RNA)
where:
Base-Base interactions energy: -1635.631
where: short stacking energy: -706.847
Base-Backbone interact. energy: -2.181
local terms energy: -779.640945
where:
bonds (distance) C4'-P energy: -146.079
bonds (distance) P-C4' energy: -148.203
flat angles C4'-P-C4' energy: -164.474
flat angles P-C4'-P energy: -102.341
tors. eta vs tors. theta energy: -218.544
Dist. restrs. and SS energy: 1.681 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -2290.068568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.068568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.715439 (E_RNA)
where:
Base-Base interactions energy: -1572.249
where: short stacking energy: -672.362
Base-Backbone interact. energy: -2.964
local terms energy: -717.501852
where:
bonds (distance) C4'-P energy: -136.463
bonds (distance) P-C4' energy: -139.794
flat angles C4'-P-C4' energy: -149.659
flat angles P-C4'-P energy: -104.808
tors. eta vs tors. theta energy: -186.778
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: 7, replica: 3
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -2099.897376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.897376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.138407 (E_RNA)
where:
Base-Base interactions energy: -1426.264
where: short stacking energy: -626.576
Base-Backbone interact. energy: 0.081
local terms energy: -675.955672
where:
bonds (distance) C4'-P energy: -133.335
bonds (distance) P-C4' energy: -137.858
flat angles C4'-P-C4' energy: -154.209
flat angles P-C4'-P energy: -85.794
tors. eta vs tors. theta energy: -164.760
Dist. restrs. and SS energy: 2.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -2006.310392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.310392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.150618 (E_RNA)
where:
Base-Base interactions energy: -1351.700
where: short stacking energy: -585.434
Base-Backbone interact. energy: 3.382
local terms energy: -660.832910
where:
bonds (distance) C4'-P energy: -130.745
bonds (distance) P-C4' energy: -151.571
flat angles C4'-P-C4' energy: -138.889
flat angles P-C4'-P energy: -81.270
tors. eta vs tors. theta energy: -158.358
Dist. restrs. and SS energy: 2.840 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -1978.517414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.517414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.890955 (E_RNA)
where:
Base-Base interactions energy: -1358.369
where: short stacking energy: -585.508
Base-Backbone interact. energy: 3.097
local terms energy: -625.619692
where:
bonds (distance) C4'-P energy: -88.471
bonds (distance) P-C4' energy: -116.414
flat angles C4'-P-C4' energy: -152.815
flat angles P-C4'-P energy: -118.502
tors. eta vs tors. theta energy: -149.417
Dist. restrs. and SS energy: 2.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -1827.552199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.552199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.127196 (E_RNA)
where:
Base-Base interactions energy: -1259.786
where: short stacking energy: -516.600
Base-Backbone interact. energy: 3.852
local terms energy: -577.193001
where:
bonds (distance) C4'-P energy: -125.271
bonds (distance) P-C4' energy: -131.249
flat angles C4'-P-C4' energy: -127.863
flat angles P-C4'-P energy: -76.260
tors. eta vs tors. theta energy: -116.550
Dist. restrs. and SS energy: 5.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -2982.808050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2982.808050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2984.997742 (E_RNA)
where:
Base-Base interactions energy: -2077.696
where: short stacking energy: -862.123
Base-Backbone interact. energy: -1.474
local terms energy: -905.828359
where:
bonds (distance) C4'-P energy: -171.988
bonds (distance) P-C4' energy: -164.294
flat angles C4'-P-C4' energy: -186.174
flat angles P-C4'-P energy: -131.162
tors. eta vs tors. theta energy: -252.211
Dist. restrs. and SS energy: 2.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -2809.485467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.485467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.187232 (E_RNA)
where:
Base-Base interactions energy: -1984.123
where: short stacking energy: -803.328
Base-Backbone interact. energy: 0.438
local terms energy: -829.502238
where:
bonds (distance) C4'-P energy: -160.231
bonds (distance) P-C4' energy: -147.336
flat angles C4'-P-C4' energy: -185.332
flat angles P-C4'-P energy: -115.517
tors. eta vs tors. theta energy: -221.086
Dist. restrs. and SS energy: 3.702 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -2761.461819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2761.461819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2764.800415 (E_RNA)
where:
Base-Base interactions energy: -1936.423
where: short stacking energy: -799.685
Base-Backbone interact. energy: -5.362
local terms energy: -823.015775
where:
bonds (distance) C4'-P energy: -152.524
bonds (distance) P-C4' energy: -147.294
flat angles C4'-P-C4' energy: -187.486
flat angles P-C4'-P energy: -103.316
tors. eta vs tors. theta energy: -232.395
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: 4, replica: 5
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -2632.993273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.993273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.506966 (E_RNA)
where:
Base-Base interactions energy: -1805.250
where: short stacking energy: -738.685
Base-Backbone interact. energy: -2.356
local terms energy: -826.900677
where:
bonds (distance) C4'-P energy: -149.666
bonds (distance) P-C4' energy: -153.196
flat angles C4'-P-C4' energy: -173.388
flat angles P-C4'-P energy: -124.144
tors. eta vs tors. theta energy: -226.507
Dist. restrs. and SS energy: 1.514 (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: 8
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -2405.874383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.874383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.473365 (E_RNA)
where:
Base-Base interactions energy: -1639.445
where: short stacking energy: -708.728
Base-Backbone interact. energy: -3.019
local terms energy: -765.009793
where:
bonds (distance) C4'-P energy: -153.749
bonds (distance) P-C4' energy: -143.679
flat angles C4'-P-C4' energy: -161.281
flat angles P-C4'-P energy: -101.706
tors. eta vs tors. theta energy: -204.595
Dist. restrs. and SS energy: 1.599 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -2266.123412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.123412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.758443 (E_RNA)
where:
Base-Base interactions energy: -1519.577
where: short stacking energy: -658.988
Base-Backbone interact. energy: -1.877
local terms energy: -747.304858
where:
bonds (distance) C4'-P energy: -148.779
bonds (distance) P-C4' energy: -153.045
flat angles C4'-P-C4' energy: -159.685
flat angles P-C4'-P energy: -107.373
tors. eta vs tors. theta energy: -178.423
Dist. restrs. and SS energy: 2.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -2099.322636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.322636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.127224 (E_RNA)
where:
Base-Base interactions energy: -1429.522
where: short stacking energy: -629.270
Base-Backbone interact. energy: -0.156
local terms energy: -672.449272
where:
bonds (distance) C4'-P energy: -113.795
bonds (distance) P-C4' energy: -150.396
flat angles C4'-P-C4' energy: -147.458
flat angles P-C4'-P energy: -108.990
tors. eta vs tors. theta energy: -151.810
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: 8, replica: 2
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -2012.739847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.739847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.088048 (E_RNA)
where:
Base-Base interactions energy: -1349.473
where: short stacking energy: -574.831
Base-Backbone interact. energy: -2.479
local terms energy: -664.135973
where:
bonds (distance) C4'-P energy: -143.948
bonds (distance) P-C4' energy: -125.253
flat angles C4'-P-C4' energy: -143.152
flat angles P-C4'-P energy: -91.007
tors. eta vs tors. theta energy: -160.776
Dist. restrs. and SS energy: 3.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -1959.295170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.295170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.060204 (E_RNA)
where:
Base-Base interactions energy: -1320.399
where: short stacking energy: -584.227
Base-Backbone interact. energy: 1.702
local terms energy: -644.363855
where:
bonds (distance) C4'-P energy: -145.830
bonds (distance) P-C4' energy: -124.415
flat angles C4'-P-C4' energy: -143.091
flat angles P-C4'-P energy: -81.849
tors. eta vs tors. theta energy: -149.180
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: 10, replica: 10
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -1863.771813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.771813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.724195 (E_RNA)
where:
Base-Base interactions energy: -1247.591
where: short stacking energy: -530.995
Base-Backbone interact. energy: -2.445
local terms energy: -616.688331
where:
bonds (distance) C4'-P energy: -140.857
bonds (distance) P-C4' energy: -131.695
flat angles C4'-P-C4' energy: -122.186
flat angles P-C4'-P energy: -79.144
tors. eta vs tors. theta energy: -142.806
Dist. restrs. and SS energy: 2.952 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -2988.319020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2988.319020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2990.817673 (E_RNA)
where:
Base-Base interactions energy: -2104.004
where: short stacking energy: -862.765
Base-Backbone interact. energy: 4.998
local terms energy: -891.812447
where:
bonds (distance) C4'-P energy: -158.705
bonds (distance) P-C4' energy: -151.184
flat angles C4'-P-C4' energy: -183.972
flat angles P-C4'-P energy: -129.145
tors. eta vs tors. theta energy: -268.807
Dist. restrs. and SS energy: 2.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -2859.629246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2859.629246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2862.381784 (E_RNA)
where:
Base-Base interactions energy: -1984.029
where: short stacking energy: -828.226
Base-Backbone interact. energy: 1.744
local terms energy: -880.097184
where:
bonds (distance) C4'-P energy: -165.910
bonds (distance) P-C4' energy: -146.134
flat angles C4'-P-C4' energy: -197.936
flat angles P-C4'-P energy: -132.348
tors. eta vs tors. theta energy: -237.769
Dist. restrs. and SS energy: 2.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -2747.769381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2747.769381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.440571 (E_RNA)
where:
Base-Base interactions energy: -1934.142
where: short stacking energy: -801.914
Base-Backbone interact. energy: -2.070
local terms energy: -813.228632
where:
bonds (distance) C4'-P energy: -153.029
bonds (distance) P-C4' energy: -142.480
flat angles C4'-P-C4' energy: -176.618
flat angles P-C4'-P energy: -112.397
tors. eta vs tors. theta energy: -228.705
Dist. restrs. and SS energy: 1.671 (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: 5
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -2703.648559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.648559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.142664 (E_RNA)
where:
Base-Base interactions energy: -1875.948
where: short stacking energy: -808.440
Base-Backbone interact. energy: -1.143
local terms energy: -828.051856
where:
bonds (distance) C4'-P energy: -139.478
bonds (distance) P-C4' energy: -152.873
flat angles C4'-P-C4' energy: -178.725
flat angles P-C4'-P energy: -116.439
tors. eta vs tors. theta energy: -240.537
Dist. restrs. and SS energy: 1.494 (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: 8
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -2426.028393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.028393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.678831 (E_RNA)
where:
Base-Base interactions energy: -1667.433
where: short stacking energy: -711.087
Base-Backbone interact. energy: 2.049
local terms energy: -762.294696
where:
bonds (distance) C4'-P energy: -138.183
bonds (distance) P-C4' energy: -140.066
flat angles C4'-P-C4' energy: -182.644
flat angles P-C4'-P energy: -101.096
tors. eta vs tors. theta energy: -200.306
Dist. restrs. and SS energy: 1.650 (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: 6
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -2288.820446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.820446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.041363 (E_RNA)
where:
Base-Base interactions energy: -1554.131
where: short stacking energy: -667.143
Base-Backbone interact. energy: -0.263
local terms energy: -736.647705
where:
bonds (distance) C4'-P energy: -139.035
bonds (distance) P-C4' energy: -152.225
flat angles C4'-P-C4' energy: -157.848
flat angles P-C4'-P energy: -102.026
tors. eta vs tors. theta energy: -185.513
Dist. restrs. and SS energy: 2.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -2069.082365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.082365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.972855 (E_RNA)
where:
Base-Base interactions energy: -1392.449
where: short stacking energy: -592.496
Base-Backbone interact. energy: 3.194
local terms energy: -681.717831
where:
bonds (distance) C4'-P energy: -122.934
bonds (distance) P-C4' energy: -154.250
flat angles C4'-P-C4' energy: -154.814
flat angles P-C4'-P energy: -85.868
tors. eta vs tors. theta energy: -163.852
Dist. restrs. and SS energy: 1.890 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -2020.639448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.639448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.437184 (E_RNA)
where:
Base-Base interactions energy: -1353.960
where: short stacking energy: -554.628
Base-Backbone interact. energy: -2.291
local terms energy: -667.186887
where:
bonds (distance) C4'-P energy: -140.572
bonds (distance) P-C4' energy: -140.080
flat angles C4'-P-C4' energy: -144.659
flat angles P-C4'-P energy: -95.722
tors. eta vs tors. theta energy: -146.154
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: 9, replica: 1
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -1963.169293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.169293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.078699 (E_RNA)
where:
Base-Base interactions energy: -1335.757
where: short stacking energy: -572.088
Base-Backbone interact. energy: -2.828
local terms energy: -628.493422
where:
bonds (distance) C4'-P energy: -115.656
bonds (distance) P-C4' energy: -125.010
flat angles C4'-P-C4' energy: -157.249
flat angles P-C4'-P energy: -83.303
tors. eta vs tors. theta energy: -147.275
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: 10, replica: 10
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -1859.125948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.125948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.061523 (E_RNA)
where:
Base-Base interactions energy: -1257.174
where: short stacking energy: -528.550
Base-Backbone interact. energy: -1.115
local terms energy: -604.772591
where:
bonds (distance) C4'-P energy: -111.370
bonds (distance) P-C4' energy: -137.480
flat angles C4'-P-C4' energy: -140.709
flat angles P-C4'-P energy: -75.793
tors. eta vs tors. theta energy: -139.420
Dist. restrs. and SS energy: 3.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -2996.491202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2996.491202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2999.348479 (E_RNA)
where:
Base-Base interactions energy: -2097.422
where: short stacking energy: -873.257
Base-Backbone interact. energy: 4.334
local terms energy: -906.260379
where:
bonds (distance) C4'-P energy: -167.275
bonds (distance) P-C4' energy: -169.593
flat angles C4'-P-C4' energy: -178.403
flat angles P-C4'-P energy: -132.459
tors. eta vs tors. theta energy: -258.530
Dist. restrs. and SS energy: 2.857 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -2769.219256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.219256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2771.752414 (E_RNA)
where:
Base-Base interactions energy: -1927.783
where: short stacking energy: -815.190
Base-Backbone interact. energy: 1.242
local terms energy: -845.211143
where:
bonds (distance) C4'-P energy: -157.408
bonds (distance) P-C4' energy: -155.432
flat angles C4'-P-C4' energy: -180.316
flat angles P-C4'-P energy: -106.976
tors. eta vs tors. theta energy: -245.080
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: 7
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -2758.416620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.416620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.540851 (E_RNA)
where:
Base-Base interactions energy: -1908.609
where: short stacking energy: -792.815
Base-Backbone interact. energy: -2.960
local terms energy: -848.970957
where:
bonds (distance) C4'-P energy: -155.346
bonds (distance) P-C4' energy: -164.981
flat angles C4'-P-C4' energy: -181.299
flat angles P-C4'-P energy: -118.176
tors. eta vs tors. theta energy: -229.169
Dist. restrs. and SS energy: 2.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -2664.278246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.278246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.918557 (E_RNA)
where:
Base-Base interactions energy: -1864.533
where: short stacking energy: -796.827
Base-Backbone interact. energy: -1.717
local terms energy: -799.668354
where:
bonds (distance) C4'-P energy: -133.544
bonds (distance) P-C4' energy: -140.189
flat angles C4'-P-C4' energy: -165.608
flat angles P-C4'-P energy: -121.814
tors. eta vs tors. theta energy: -238.513
Dist. restrs. and SS energy: 1.640 (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: 8
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -2390.170927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.170927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.118663 (E_RNA)
where:
Base-Base interactions energy: -1658.029
where: short stacking energy: -703.951
Base-Backbone interact. energy: 0.270
local terms energy: -734.360134
where:
bonds (distance) C4'-P energy: -126.423
bonds (distance) P-C4' energy: -152.138
flat angles C4'-P-C4' energy: -157.445
flat angles P-C4'-P energy: -104.386
tors. eta vs tors. theta energy: -193.968
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: 6, replica: 6
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -2326.341039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.341039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.894173 (E_RNA)
where:
Base-Base interactions energy: -1557.942
where: short stacking energy: -684.514
Base-Backbone interact. energy: -2.732
local terms energy: -769.220688
where:
bonds (distance) C4'-P energy: -142.148
bonds (distance) P-C4' energy: -148.197
flat angles C4'-P-C4' energy: -171.793
flat angles P-C4'-P energy: -110.916
tors. eta vs tors. theta energy: -196.166
Dist. restrs. and SS energy: 3.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -2061.307653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.307653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.965296 (E_RNA)
where:
Base-Base interactions energy: -1383.988
where: short stacking energy: -579.240
Base-Backbone interact. energy: -0.171
local terms energy: -678.806109
where:
bonds (distance) C4'-P energy: -126.179
bonds (distance) P-C4' energy: -150.669
flat angles C4'-P-C4' energy: -150.328
flat angles P-C4'-P energy: -107.805
tors. eta vs tors. theta energy: -143.825
Dist. restrs. and SS energy: 1.658 (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: 2
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -2081.721101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.721101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.711072 (E_RNA)
where:
Base-Base interactions energy: -1415.110
where: short stacking energy: -586.156
Base-Backbone interact. energy: 3.180
local terms energy: -671.781576
where:
bonds (distance) C4'-P energy: -123.483
bonds (distance) P-C4' energy: -142.844
flat angles C4'-P-C4' energy: -155.642
flat angles P-C4'-P energy: -102.769
tors. eta vs tors. theta energy: -147.044
Dist. restrs. and SS energy: 1.990 (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: 1
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -1968.696691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.696691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.041058 (E_RNA)
where:
Base-Base interactions energy: -1319.174
where: short stacking energy: -538.634
Base-Backbone interact. energy: -2.421
local terms energy: -650.445924
where:
bonds (distance) C4'-P energy: -129.925
bonds (distance) P-C4' energy: -138.834
flat angles C4'-P-C4' energy: -139.744
flat angles P-C4'-P energy: -89.206
tors. eta vs tors. theta energy: -152.736
Dist. restrs. and SS energy: 3.344 (S_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: 431
Temperature: 1.350000
Total energy: -1898.876836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.876836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.050921 (E_RNA)
where:
Base-Base interactions energy: -1279.282
where: short stacking energy: -519.644
Base-Backbone interact. energy: -2.100
local terms energy: -622.668719
where:
bonds (distance) C4'-P energy: -132.012
bonds (distance) P-C4' energy: -140.156
flat angles C4'-P-C4' energy: -130.948
flat angles P-C4'-P energy: -87.067
tors. eta vs tors. theta energy: -132.485
Dist. restrs. and SS energy: 5.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -2981.065989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2981.065989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2983.480403 (E_RNA)
where:
Base-Base interactions energy: -2110.163
where: short stacking energy: -894.634
Base-Backbone interact. energy: 5.223
local terms energy: -878.540305
where:
bonds (distance) C4'-P energy: -150.798
bonds (distance) P-C4' energy: -156.417
flat angles C4'-P-C4' energy: -186.642
flat angles P-C4'-P energy: -126.611
tors. eta vs tors. theta energy: -258.072
Dist. restrs. and SS energy: 2.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -2821.575370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.575370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.309900 (E_RNA)
where:
Base-Base interactions energy: -1945.697
where: short stacking energy: -812.464
Base-Backbone interact. energy: -2.375
local terms energy: -876.238179
where:
bonds (distance) C4'-P energy: -153.957
bonds (distance) P-C4' energy: -168.682
flat angles C4'-P-C4' energy: -179.582
flat angles P-C4'-P energy: -128.679
tors. eta vs tors. theta energy: -245.338
Dist. restrs. and SS energy: 2.735 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -2739.324862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.324862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2741.236402 (E_RNA)
where:
Base-Base interactions energy: -1894.835
where: short stacking energy: -802.494
Base-Backbone interact. energy: -1.593
local terms energy: -844.808003
where:
bonds (distance) C4'-P energy: -131.331
bonds (distance) P-C4' energy: -152.867
flat angles C4'-P-C4' energy: -182.893
flat angles P-C4'-P energy: -136.370
tors. eta vs tors. theta energy: -241.346
Dist. restrs. and SS energy: 1.912 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -2656.791071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.791071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.511157 (E_RNA)
where:
Base-Base interactions energy: -1866.211
where: short stacking energy: -778.860
Base-Backbone interact. energy: 0.578
local terms energy: -792.878173
where:
bonds (distance) C4'-P energy: -145.772
bonds (distance) P-C4' energy: -152.195
flat angles C4'-P-C4' energy: -165.675
flat angles P-C4'-P energy: -102.474
tors. eta vs tors. theta energy: -226.762
Dist. restrs. and SS energy: 1.720 (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: 8
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -2406.176529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.176529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.368304 (E_RNA)
where:
Base-Base interactions energy: -1657.029
where: short stacking energy: -699.353
Base-Backbone interact. energy: 2.891
local terms energy: -754.230573
where:
bonds (distance) C4'-P energy: -149.897
bonds (distance) P-C4' energy: -146.023
flat angles C4'-P-C4' energy: -149.944
flat angles P-C4'-P energy: -113.854
tors. eta vs tors. theta energy: -194.513
Dist. restrs. and SS energy: 2.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -2242.557353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.557353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.527796 (E_RNA)
where:
Base-Base interactions energy: -1532.969
where: short stacking energy: -676.312
Base-Backbone interact. energy: 2.078
local terms energy: -715.636608
where:
bonds (distance) C4'-P energy: -122.940
bonds (distance) P-C4' energy: -151.131
flat angles C4'-P-C4' energy: -163.038
flat angles P-C4'-P energy: -89.322
tors. eta vs tors. theta energy: -189.205
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: 2
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -2089.958984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.958984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.128233 (E_RNA)
where:
Base-Base interactions energy: -1424.272
where: short stacking energy: -635.190
Base-Backbone interact. energy: 0.786
local terms energy: -668.643015
where:
bonds (distance) C4'-P energy: -120.915
bonds (distance) P-C4' energy: -133.398
flat angles C4'-P-C4' energy: -159.614
flat angles P-C4'-P energy: -86.375
tors. eta vs tors. theta energy: -168.341
Dist. restrs. and SS energy: 2.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -2007.003722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.003722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.324821 (E_RNA)
where:
Base-Base interactions energy: -1341.139
where: short stacking energy: -549.660
Base-Backbone interact. energy: -3.142
local terms energy: -667.044024
where:
bonds (distance) C4'-P energy: -130.666
bonds (distance) P-C4' energy: -135.755
flat angles C4'-P-C4' energy: -160.234
flat angles P-C4'-P energy: -104.649
tors. eta vs tors. theta energy: -135.741
Dist. restrs. and SS energy: 4.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -1965.262326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.262326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.802048 (E_RNA)
where:
Base-Base interactions energy: -1338.692
where: short stacking energy: -587.581
Base-Backbone interact. energy: -2.571
local terms energy: -627.539167
where:
bonds (distance) C4'-P energy: -127.172
bonds (distance) P-C4' energy: -119.201
flat angles C4'-P-C4' energy: -146.621
flat angles P-C4'-P energy: -78.606
tors. eta vs tors. theta energy: -155.939
Dist. restrs. and SS energy: 3.540 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -1881.829762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.829762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.843351 (E_RNA)
where:
Base-Base interactions energy: -1285.824
where: short stacking energy: -543.541
Base-Backbone interact. energy: -0.596
local terms energy: -597.423415
where:
bonds (distance) C4'-P energy: -126.008
bonds (distance) P-C4' energy: -112.401
flat angles C4'-P-C4' energy: -132.210
flat angles P-C4'-P energy: -80.029
tors. eta vs tors. theta energy: -146.775
Dist. restrs. and SS energy: 2.014 (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: 9
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -2979.634896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2979.634896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2983.234901 (E_RNA)
where:
Base-Base interactions energy: -2083.631
where: short stacking energy: -842.300
Base-Backbone interact. energy: -4.866
local terms energy: -894.738109
where:
bonds (distance) C4'-P energy: -159.974
bonds (distance) P-C4' energy: -158.834
flat angles C4'-P-C4' energy: -185.399
flat angles P-C4'-P energy: -128.320
tors. eta vs tors. theta energy: -262.211
Dist. restrs. and SS energy: 3.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -2835.392295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2835.392295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2837.456087 (E_RNA)
where:
Base-Base interactions energy: -1985.664
where: short stacking energy: -810.223
Base-Backbone interact. energy: -3.903
local terms energy: -847.889732
where:
bonds (distance) C4'-P energy: -153.355
bonds (distance) P-C4' energy: -148.333
flat angles C4'-P-C4' energy: -181.050
flat angles P-C4'-P energy: -121.059
tors. eta vs tors. theta energy: -244.093
Dist. restrs. and SS energy: 2.064 (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: 4
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -2752.134378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2752.134378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2754.639471 (E_RNA)
where:
Base-Base interactions energy: -1897.778
where: short stacking energy: -786.313
Base-Backbone interact. energy: -5.325
local terms energy: -851.536420
where:
bonds (distance) C4'-P energy: -166.035
bonds (distance) P-C4' energy: -147.483
flat angles C4'-P-C4' energy: -183.086
flat angles P-C4'-P energy: -126.218
tors. eta vs tors. theta energy: -228.715
Dist. restrs. and SS energy: 2.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -2618.466677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.466677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.947907 (E_RNA)
where:
Base-Base interactions energy: -1826.916
where: short stacking energy: -764.444
Base-Backbone interact. energy: 0.429
local terms energy: -793.461224
where:
bonds (distance) C4'-P energy: -158.313
bonds (distance) P-C4' energy: -130.124
flat angles C4'-P-C4' energy: -176.998
flat angles P-C4'-P energy: -111.333
tors. eta vs tors. theta energy: -216.692
Dist. restrs. and SS energy: 1.481 (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: 8
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -2428.504979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.504979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.377551 (E_RNA)
where:
Base-Base interactions energy: -1670.217
where: short stacking energy: -718.167
Base-Backbone interact. energy: -0.983
local terms energy: -759.177323
where:
bonds (distance) C4'-P energy: -136.583
bonds (distance) P-C4' energy: -153.150
flat angles C4'-P-C4' energy: -160.654
flat angles P-C4'-P energy: -102.862
tors. eta vs tors. theta energy: -205.928
Dist. restrs. and SS energy: 1.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -2288.384656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.384656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.532021 (E_RNA)
where:
Base-Base interactions energy: -1550.473
where: short stacking energy: -647.961
Base-Backbone interact. energy: -0.535
local terms energy: -739.524584
where:
bonds (distance) C4'-P energy: -126.861
bonds (distance) P-C4' energy: -155.155
flat angles C4'-P-C4' energy: -184.276
flat angles P-C4'-P energy: -86.084
tors. eta vs tors. theta energy: -187.149
Dist. restrs. and SS energy: 2.147 (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: 2
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -2145.678483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.678483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.895639 (E_RNA)
where:
Base-Base interactions energy: -1449.719
where: short stacking energy: -627.850
Base-Backbone interact. energy: -1.787
local terms energy: -697.389221
where:
bonds (distance) C4'-P energy: -129.430
bonds (distance) P-C4' energy: -149.832
flat angles C4'-P-C4' energy: -137.174
flat angles P-C4'-P energy: -88.425
tors. eta vs tors. theta energy: -192.528
Dist. restrs. and SS energy: 3.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -2002.857398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.857398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.389508 (E_RNA)
where:
Base-Base interactions energy: -1353.838
where: short stacking energy: -562.670
Base-Backbone interact. energy: 1.174
local terms energy: -652.725840
where:
bonds (distance) C4'-P energy: -136.077
bonds (distance) P-C4' energy: -132.395
flat angles C4'-P-C4' energy: -150.582
flat angles P-C4'-P energy: -82.930
tors. eta vs tors. theta energy: -150.742
Dist. restrs. and SS energy: 2.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -2012.073479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.073479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.239500 (E_RNA)
where:
Base-Base interactions energy: -1361.543
where: short stacking energy: -599.139
Base-Backbone interact. energy: -2.441
local terms energy: -651.255060
where:
bonds (distance) C4'-P energy: -135.431
bonds (distance) P-C4' energy: -113.104
flat angles C4'-P-C4' energy: -139.588
flat angles P-C4'-P energy: -102.959
tors. eta vs tors. theta energy: -160.173
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: 10, replica: 1
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -1832.168861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.168861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.137352 (E_RNA)
where:
Base-Base interactions energy: -1239.924
where: short stacking energy: -502.000
Base-Backbone interact. energy: 0.852
local terms energy: -598.065238
where:
bonds (distance) C4'-P energy: -114.184
bonds (distance) P-C4' energy: -117.149
flat angles C4'-P-C4' energy: -148.048
flat angles P-C4'-P energy: -92.389
tors. eta vs tors. theta energy: -126.295
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: 1, replica: 9
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -2992.127090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2992.127090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2994.213751 (E_RNA)
where:
Base-Base interactions energy: -2108.953
where: short stacking energy: -875.905
Base-Backbone interact. energy: 1.712
local terms energy: -886.972243
where:
bonds (distance) C4'-P energy: -146.570
bonds (distance) P-C4' energy: -167.163
flat angles C4'-P-C4' energy: -191.531
flat angles P-C4'-P energy: -132.068
tors. eta vs tors. theta energy: -249.641
Dist. restrs. and SS energy: 2.087 (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: 7
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -2829.598436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2829.598436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2831.567099 (E_RNA)
where:
Base-Base interactions energy: -1941.604
where: short stacking energy: -801.827
Base-Backbone interact. energy: -2.654
local terms energy: -887.308997
where:
bonds (distance) C4'-P energy: -163.173
bonds (distance) P-C4' energy: -166.474
flat angles C4'-P-C4' energy: -189.874
flat angles P-C4'-P energy: -122.152
tors. eta vs tors. theta energy: -245.636
Dist. restrs. and SS energy: 1.969 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -2765.490270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2765.490270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.385596 (E_RNA)
where:
Base-Base interactions energy: -1912.466
where: short stacking energy: -792.222
Base-Backbone interact. energy: -2.333
local terms energy: -852.586000
where:
bonds (distance) C4'-P energy: -162.463
bonds (distance) P-C4' energy: -160.634
flat angles C4'-P-C4' energy: -166.113
flat angles P-C4'-P energy: -118.865
tors. eta vs tors. theta energy: -244.510
Dist. restrs. and SS energy: 1.895 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -2685.467831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.467831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.686256 (E_RNA)
where:
Base-Base interactions energy: -1883.119
where: short stacking energy: -789.773
Base-Backbone interact. energy: 0.278
local terms energy: -804.845602
where:
bonds (distance) C4'-P energy: -148.914
bonds (distance) P-C4' energy: -133.328
flat angles C4'-P-C4' energy: -165.254
flat angles P-C4'-P energy: -125.095
tors. eta vs tors. theta energy: -232.255
Dist. restrs. and SS energy: 2.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -2400.142314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.142314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.979678 (E_RNA)
where:
Base-Base interactions energy: -1631.443
where: short stacking energy: -706.433
Base-Backbone interact. energy: -2.952
local terms energy: -768.585379
where:
bonds (distance) C4'-P energy: -155.856
bonds (distance) P-C4' energy: -132.886
flat angles C4'-P-C4' energy: -171.308
flat angles P-C4'-P energy: -101.077
tors. eta vs tors. theta energy: -207.459
Dist. restrs. and SS energy: 2.837 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -2297.094943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.094943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.068568 (E_RNA)
where:
Base-Base interactions energy: -1558.265
where: short stacking energy: -681.483
Base-Backbone interact. energy: 4.598
local terms energy: -745.401325
where:
bonds (distance) C4'-P energy: -160.948
bonds (distance) P-C4' energy: -152.645
flat angles C4'-P-C4' energy: -159.560
flat angles P-C4'-P energy: -76.043
tors. eta vs tors. theta energy: -196.206
Dist. restrs. and SS energy: 1.974 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -2123.492472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.492472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.972329 (E_RNA)
where:
Base-Base interactions energy: -1432.217
where: short stacking energy: -636.765
Base-Backbone interact. energy: 4.507
local terms energy: -698.262604
where:
bonds (distance) C4'-P energy: -133.186
bonds (distance) P-C4' energy: -132.733
flat angles C4'-P-C4' energy: -164.081
flat angles P-C4'-P energy: -94.308
tors. eta vs tors. theta energy: -173.954
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: 8, replica: 3
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -2056.320428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.320428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.919744 (E_RNA)
where:
Base-Base interactions energy: -1380.059
where: short stacking energy: -582.885
Base-Backbone interact. energy: 0.291
local terms energy: -679.151986
where:
bonds (distance) C4'-P energy: -145.440
bonds (distance) P-C4' energy: -136.801
flat angles C4'-P-C4' energy: -157.563
flat angles P-C4'-P energy: -86.918
tors. eta vs tors. theta energy: -152.429
Dist. restrs. and SS energy: 2.599 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -1878.890535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.890535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.549257 (E_RNA)
where:
Base-Base interactions energy: -1273.605
where: short stacking energy: -519.088
Base-Backbone interact. energy: -1.294
local terms energy: -606.649391
where:
bonds (distance) C4'-P energy: -121.237
bonds (distance) P-C4' energy: -129.742
flat angles C4'-P-C4' energy: -138.180
flat angles P-C4'-P energy: -89.360
tors. eta vs tors. theta energy: -128.130
Dist. restrs. and SS energy: 2.659 (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: 10
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -1868.273417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.273417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.864582 (E_RNA)
where:
Base-Base interactions energy: -1252.532
where: short stacking energy: -518.973
Base-Backbone interact. energy: 3.795
local terms energy: -623.127506
where:
bonds (distance) C4'-P energy: -128.578
bonds (distance) P-C4' energy: -136.062
flat angles C4'-P-C4' energy: -156.270
flat angles P-C4'-P energy: -86.775
tors. eta vs tors. theta energy: -115.442
Dist. restrs. and SS energy: 3.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -2990.363731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2990.363731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2992.586017 (E_RNA)
where:
Base-Base interactions energy: -2098.942
where: short stacking energy: -868.527
Base-Backbone interact. energy: 4.421
local terms energy: -898.064795
where:
bonds (distance) C4'-P energy: -169.401
bonds (distance) P-C4' energy: -152.785
flat angles C4'-P-C4' energy: -187.652
flat angles P-C4'-P energy: -132.287
tors. eta vs tors. theta energy: -255.939
Dist. restrs. and SS energy: 2.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -2850.973839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2850.973839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2852.832856 (E_RNA)
where:
Base-Base interactions energy: -1974.533
where: short stacking energy: -810.967
Base-Backbone interact. energy: -3.728
local terms energy: -874.572298
where:
bonds (distance) C4'-P energy: -143.850
bonds (distance) P-C4' energy: -165.986
flat angles C4'-P-C4' energy: -195.371
flat angles P-C4'-P energy: -125.401
tors. eta vs tors. theta energy: -243.964
Dist. restrs. and SS energy: 1.859 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -2774.365461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.365461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.414396 (E_RNA)
where:
Base-Base interactions energy: -1929.351
where: short stacking energy: -783.101
Base-Backbone interact. energy: -0.751
local terms energy: -846.312170
where:
bonds (distance) C4'-P energy: -161.702
bonds (distance) P-C4' energy: -154.231
flat angles C4'-P-C4' energy: -170.220
flat angles P-C4'-P energy: -123.329
tors. eta vs tors. theta energy: -236.830
Dist. restrs. and SS energy: 2.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -2664.047363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.047363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.423988 (E_RNA)
where:
Base-Base interactions energy: -1859.635
where: short stacking energy: -755.413
Base-Backbone interact. energy: 4.717
local terms energy: -810.505157
where:
bonds (distance) C4'-P energy: -150.238
bonds (distance) P-C4' energy: -165.280
flat angles C4'-P-C4' energy: -175.817
flat angles P-C4'-P energy: -99.131
tors. eta vs tors. theta energy: -220.040
Dist. restrs. and SS energy: 1.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -2400.644094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.644094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.317223 (E_RNA)
where:
Base-Base interactions energy: -1651.121
where: short stacking energy: -693.143
Base-Backbone interact. energy: 2.171
local terms energy: -754.366889
where:
bonds (distance) C4'-P energy: -145.716
bonds (distance) P-C4' energy: -131.827
flat angles C4'-P-C4' energy: -163.667
flat angles P-C4'-P energy: -117.169
tors. eta vs tors. theta energy: -195.988
Dist. restrs. and SS energy: 2.673 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -2310.104974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.104974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.367342 (E_RNA)
where:
Base-Base interactions energy: -1589.051
where: short stacking energy: -689.753
Base-Backbone interact. energy: 2.691
local terms energy: -726.007186
where:
bonds (distance) C4'-P energy: -123.260
bonds (distance) P-C4' energy: -126.019
flat angles C4'-P-C4' energy: -165.599
flat angles P-C4'-P energy: -117.009
tors. eta vs tors. theta energy: -194.121
Dist. restrs. and SS energy: 2.262 (S_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: 435
Temperature: 1.200000
Total energy: -2117.842032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.842032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.948239 (E_RNA)
where:
Base-Base interactions energy: -1426.940
where: short stacking energy: -613.897
Base-Backbone interact. energy: -0.927
local terms energy: -692.081027
where:
bonds (distance) C4'-P energy: -122.382
bonds (distance) P-C4' energy: -143.381
flat angles C4'-P-C4' energy: -151.349
flat angles P-C4'-P energy: -93.873
tors. eta vs tors. theta energy: -181.095
Dist. restrs. and SS energy: 2.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -2046.394134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.394134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.468978 (E_RNA)
where:
Base-Base interactions energy: -1399.340
where: short stacking energy: -578.112
Base-Backbone interact. energy: -0.004
local terms energy: -651.124263
where:
bonds (distance) C4'-P energy: -147.041
bonds (distance) P-C4' energy: -133.467
flat angles C4'-P-C4' energy: -132.994
flat angles P-C4'-P energy: -85.735
tors. eta vs tors. theta energy: -151.887
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: 9, replica: 1
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -1901.928260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.928260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.476057 (E_RNA)
where:
Base-Base interactions energy: -1297.328
where: short stacking energy: -527.966
Base-Backbone interact. energy: -3.630
local terms energy: -605.518280
where:
bonds (distance) C4'-P energy: -138.955
bonds (distance) P-C4' energy: -123.484
flat angles C4'-P-C4' energy: -140.091
flat angles P-C4'-P energy: -94.094
tors. eta vs tors. theta energy: -108.894
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: 10, replica: 10
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -1920.423247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.423247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.124104 (E_RNA)
where:
Base-Base interactions energy: -1300.492
where: short stacking energy: -532.583
Base-Backbone interact. energy: 2.991
local terms energy: -625.622580
where:
bonds (distance) C4'-P energy: -102.443
bonds (distance) P-C4' energy: -133.193
flat angles C4'-P-C4' energy: -143.307
flat angles P-C4'-P energy: -98.710
tors. eta vs tors. theta energy: -147.969
Dist. restrs. and SS energy: 2.701 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -3000.950027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3000.950027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3004.545485 (E_RNA)
where:
Base-Base interactions energy: -2099.270
where: short stacking energy: -873.115
Base-Backbone interact. energy: -1.093
local terms energy: -904.183095
where:
bonds (distance) C4'-P energy: -166.609
bonds (distance) P-C4' energy: -160.705
flat angles C4'-P-C4' energy: -187.334
flat angles P-C4'-P energy: -132.720
tors. eta vs tors. theta energy: -256.814
Dist. restrs. and SS energy: 3.595 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -2830.019180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2830.019180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2831.495146 (E_RNA)
where:
Base-Base interactions energy: -1952.107
where: short stacking energy: -818.690
Base-Backbone interact. energy: -1.925
local terms energy: -877.463829
where:
bonds (distance) C4'-P energy: -158.069
bonds (distance) P-C4' energy: -162.794
flat angles C4'-P-C4' energy: -172.397
flat angles P-C4'-P energy: -132.507
tors. eta vs tors. theta energy: -251.697
Dist. restrs. and SS energy: 1.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -2780.648811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.648811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.721138 (E_RNA)
where:
Base-Base interactions energy: -1940.819
where: short stacking energy: -814.753
Base-Backbone interact. energy: -0.686
local terms energy: -841.216154
where:
bonds (distance) C4'-P energy: -150.824
bonds (distance) P-C4' energy: -148.111
flat angles C4'-P-C4' energy: -171.682
flat angles P-C4'-P energy: -127.938
tors. eta vs tors. theta energy: -242.662
Dist. restrs. and SS energy: 2.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -2663.436488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.436488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.551040 (E_RNA)
where:
Base-Base interactions energy: -1828.573
where: short stacking energy: -765.578
Base-Backbone interact. energy: -1.025
local terms energy: -835.952857
where:
bonds (distance) C4'-P energy: -159.430
bonds (distance) P-C4' energy: -151.408
flat angles C4'-P-C4' energy: -175.980
flat angles P-C4'-P energy: -127.765
tors. eta vs tors. theta energy: -221.370
Dist. restrs. and SS energy: 2.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -2356.954515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.954515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.278797 (E_RNA)
where:
Base-Base interactions energy: -1587.353
where: short stacking energy: -664.252
Base-Backbone interact. energy: -2.960
local terms energy: -768.966071
where:
bonds (distance) C4'-P energy: -138.732
bonds (distance) P-C4' energy: -152.332
flat angles C4'-P-C4' energy: -169.781
flat angles P-C4'-P energy: -112.040
tors. eta vs tors. theta energy: -196.081
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: 6, replica: 6
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -2292.123377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.123377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.348285 (E_RNA)
where:
Base-Base interactions energy: -1585.217
where: short stacking energy: -680.861
Base-Backbone interact. energy: -2.380
local terms energy: -705.751621
where:
bonds (distance) C4'-P energy: -115.226
bonds (distance) P-C4' energy: -131.276
flat angles C4'-P-C4' energy: -168.719
flat angles P-C4'-P energy: -98.480
tors. eta vs tors. theta energy: -192.051
Dist. restrs. and SS energy: 1.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -2068.801063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.801063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.229351 (E_RNA)
where:
Base-Base interactions energy: -1374.775
where: short stacking energy: -553.455
Base-Backbone interact. energy: -2.961
local terms energy: -693.493609
where:
bonds (distance) C4'-P energy: -150.261
bonds (distance) P-C4' energy: -144.219
flat angles C4'-P-C4' energy: -161.010
flat angles P-C4'-P energy: -100.254
tors. eta vs tors. theta energy: -137.749
Dist. restrs. and SS energy: 2.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -2086.003281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.003281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.701783 (E_RNA)
where:
Base-Base interactions energy: -1386.513
where: short stacking energy: -601.117
Base-Backbone interact. energy: -1.919
local terms energy: -700.270348
where:
bonds (distance) C4'-P energy: -136.634
bonds (distance) P-C4' energy: -150.337
flat angles C4'-P-C4' energy: -159.862
flat angles P-C4'-P energy: -98.012
tors. eta vs tors. theta energy: -155.425
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: 9, replica: 1
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -1995.127260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.127260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.521889 (E_RNA)
where:
Base-Base interactions energy: -1346.966
where: short stacking energy: -584.797
Base-Backbone interact. energy: -3.741
local terms energy: -648.814905
where:
bonds (distance) C4'-P energy: -117.728
bonds (distance) P-C4' energy: -121.487
flat angles C4'-P-C4' energy: -143.596
flat angles P-C4'-P energy: -105.122
tors. eta vs tors. theta energy: -160.882
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: 10, replica: 10
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -1875.197579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.197579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.682260 (E_RNA)
where:
Base-Base interactions energy: -1277.208
where: short stacking energy: -548.948
Base-Backbone interact. energy: -3.460
local terms energy: -597.014481
where:
bonds (distance) C4'-P energy: -115.660
bonds (distance) P-C4' energy: -125.549
flat angles C4'-P-C4' energy: -136.533
flat angles P-C4'-P energy: -82.661
tors. eta vs tors. theta energy: -136.612
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: 1, replica: 9
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -2982.570132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2982.570132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2984.507466 (E_RNA)
where:
Base-Base interactions energy: -2073.653
where: short stacking energy: -885.524
Base-Backbone interact. energy: -2.861
local terms energy: -907.993217
where:
bonds (distance) C4'-P energy: -173.128
bonds (distance) P-C4' energy: -149.725
flat angles C4'-P-C4' energy: -182.971
flat angles P-C4'-P energy: -127.369
tors. eta vs tors. theta energy: -274.800
Dist. restrs. and SS energy: 1.937 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -2826.949889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2826.949889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2828.298627 (E_RNA)
where:
Base-Base interactions energy: -1972.049
where: short stacking energy: -807.873
Base-Backbone interact. energy: -4.110
local terms energy: -852.139918
where:
bonds (distance) C4'-P energy: -163.806
bonds (distance) P-C4' energy: -150.802
flat angles C4'-P-C4' energy: -178.773
flat angles P-C4'-P energy: -115.394
tors. eta vs tors. theta energy: -243.365
Dist. restrs. and SS energy: 1.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -2742.321779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.321779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.366507 (E_RNA)
where:
Base-Base interactions energy: -1931.102
where: short stacking energy: -796.489
Base-Backbone interact. energy: -0.069
local terms energy: -812.195326
where:
bonds (distance) C4'-P energy: -159.358
bonds (distance) P-C4' energy: -145.850
flat angles C4'-P-C4' energy: -184.098
flat angles P-C4'-P energy: -98.062
tors. eta vs tors. theta energy: -224.827
Dist. restrs. and SS energy: 1.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -2644.684044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.684044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.560428 (E_RNA)
where:
Base-Base interactions energy: -1844.262
where: short stacking energy: -772.172
Base-Backbone interact. energy: 0.003
local terms energy: -802.301938
where:
bonds (distance) C4'-P energy: -149.224
bonds (distance) P-C4' energy: -136.198
flat angles C4'-P-C4' energy: -169.169
flat angles P-C4'-P energy: -128.327
tors. eta vs tors. theta energy: -219.383
Dist. restrs. and SS energy: 1.876 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -2342.234244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.234244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.549554 (E_RNA)
where:
Base-Base interactions energy: -1610.145
where: short stacking energy: -680.709
Base-Backbone interact. energy: 8.552
local terms energy: -741.956521
where:
bonds (distance) C4'-P energy: -130.128
bonds (distance) P-C4' energy: -144.315
flat angles C4'-P-C4' energy: -167.416
flat angles P-C4'-P energy: -111.079
tors. eta vs tors. theta energy: -189.019
Dist. restrs. and SS energy: 1.315 (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: 6
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -2303.229466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.229466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.949075 (E_RNA)
where:
Base-Base interactions energy: -1545.629
where: short stacking energy: -670.300
Base-Backbone interact. energy: 0.105
local terms energy: -759.425192
where:
bonds (distance) C4'-P energy: -154.142
bonds (distance) P-C4' energy: -145.770
flat angles C4'-P-C4' energy: -159.424
flat angles P-C4'-P energy: -100.832
tors. eta vs tors. theta energy: -199.257
Dist. restrs. and SS energy: 1.720 (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: 3
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -2125.254185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.254185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.037834 (E_RNA)
where:
Base-Base interactions energy: -1448.718
where: short stacking energy: -641.300
Base-Backbone interact. energy: 1.329
local terms energy: -681.649592
where:
bonds (distance) C4'-P energy: -140.024
bonds (distance) P-C4' energy: -130.604
flat angles C4'-P-C4' energy: -148.780
flat angles P-C4'-P energy: -93.279
tors. eta vs tors. theta energy: -168.963
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: 8, replica: 2
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -2050.636438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.636438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.884468 (E_RNA)
where:
Base-Base interactions energy: -1409.995
where: short stacking energy: -606.217
Base-Backbone interact. energy: -3.759
local terms energy: -639.130330
where:
bonds (distance) C4'-P energy: -105.509
bonds (distance) P-C4' energy: -121.223
flat angles C4'-P-C4' energy: -156.651
flat angles P-C4'-P energy: -92.655
tors. eta vs tors. theta energy: -163.092
Dist. restrs. and SS energy: 2.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -1989.323688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.323688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.624568 (E_RNA)
where:
Base-Base interactions energy: -1365.616
where: short stacking energy: -580.426
Base-Backbone interact. energy: -1.759
local terms energy: -625.249133
where:
bonds (distance) C4'-P energy: -129.746
bonds (distance) P-C4' energy: -129.046
flat angles C4'-P-C4' energy: -124.006
flat angles P-C4'-P energy: -107.339
tors. eta vs tors. theta energy: -135.112
Dist. restrs. and SS energy: 3.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -1903.546190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.546190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.150954 (E_RNA)
where:
Base-Base interactions energy: -1332.191
where: short stacking energy: -564.108
Base-Backbone interact. energy: -4.435
local terms energy: -571.525291
where:
bonds (distance) C4'-P energy: -98.489
bonds (distance) P-C4' energy: -127.112
flat angles C4'-P-C4' energy: -126.471
flat angles P-C4'-P energy: -81.759
tors. eta vs tors. theta energy: -137.695
Dist. restrs. and SS energy: 4.605 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -2968.935573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2968.935573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2970.349037 (E_RNA)
where:
Base-Base interactions energy: -2071.583
where: short stacking energy: -890.232
Base-Backbone interact. energy: -2.885
local terms energy: -895.880840
where:
bonds (distance) C4'-P energy: -154.864
bonds (distance) P-C4' energy: -154.030
flat angles C4'-P-C4' energy: -195.507
flat angles P-C4'-P energy: -125.870
tors. eta vs tors. theta energy: -265.610
Dist. restrs. and SS energy: 1.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -2865.946956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2865.946956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2867.471627 (E_RNA)
where:
Base-Base interactions energy: -2020.003
where: short stacking energy: -821.180
Base-Backbone interact. energy: -3.992
local terms energy: -843.476635
where:
bonds (distance) C4'-P energy: -151.260
bonds (distance) P-C4' energy: -129.519
flat angles C4'-P-C4' energy: -196.772
flat angles P-C4'-P energy: -116.346
tors. eta vs tors. theta energy: -249.580
Dist. restrs. and SS energy: 1.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -2760.557003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2760.557003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.917384 (E_RNA)
where:
Base-Base interactions energy: -1957.758
where: short stacking energy: -788.633
Base-Backbone interact. energy: -1.093
local terms energy: -804.066395
where:
bonds (distance) C4'-P energy: -149.650
bonds (distance) P-C4' energy: -126.969
flat angles C4'-P-C4' energy: -172.751
flat angles P-C4'-P energy: -126.751
tors. eta vs tors. theta energy: -227.945
Dist. restrs. and SS energy: 2.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -2675.749390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.749390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.208890 (E_RNA)
where:
Base-Base interactions energy: -1868.367
where: short stacking energy: -794.606
Base-Backbone interact. energy: -3.677
local terms energy: -806.163988
where:
bonds (distance) C4'-P energy: -140.600
bonds (distance) P-C4' energy: -153.331
flat angles C4'-P-C4' energy: -189.273
flat angles P-C4'-P energy: -103.373
tors. eta vs tors. theta energy: -219.586
Dist. restrs. and SS energy: 2.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -2428.551728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.551728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.303695 (E_RNA)
where:
Base-Base interactions energy: -1683.901
where: short stacking energy: -705.559
Base-Backbone interact. energy: 3.827
local terms energy: -750.229758
where:
bonds (distance) C4'-P energy: -134.711
bonds (distance) P-C4' energy: -142.479
flat angles C4'-P-C4' energy: -170.845
flat angles P-C4'-P energy: -101.285
tors. eta vs tors. theta energy: -200.910
Dist. restrs. and SS energy: 1.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -2295.517991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.517991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.975351 (E_RNA)
where:
Base-Base interactions energy: -1589.898
where: short stacking energy: -686.740
Base-Backbone interact. energy: -3.554
local terms energy: -703.522636
where:
bonds (distance) C4'-P energy: -134.229
bonds (distance) P-C4' energy: -114.495
flat angles C4'-P-C4' energy: -153.804
flat angles P-C4'-P energy: -112.382
tors. eta vs tors. theta energy: -188.613
Dist. restrs. and SS energy: 1.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -2128.711858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.711858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.361599 (E_RNA)
where:
Base-Base interactions energy: -1444.984
where: short stacking energy: -611.259
Base-Backbone interact. energy: 7.122
local terms energy: -693.500332
where:
bonds (distance) C4'-P energy: -146.306
bonds (distance) P-C4' energy: -126.263
flat angles C4'-P-C4' energy: -153.240
flat angles P-C4'-P energy: -103.170
tors. eta vs tors. theta energy: -164.522
Dist. restrs. and SS energy: 2.650 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -2059.733764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.733764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.606244 (E_RNA)
where:
Base-Base interactions energy: -1408.354
where: short stacking energy: -621.870
Base-Backbone interact. energy: 1.976
local terms energy: -655.227486
where:
bonds (distance) C4'-P energy: -124.985
bonds (distance) P-C4' energy: -131.624
flat angles C4'-P-C4' energy: -156.635
flat angles P-C4'-P energy: -80.243
tors. eta vs tors. theta energy: -161.741
Dist. restrs. and SS energy: 1.872 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -1924.651670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.651670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.949143 (E_RNA)
where:
Base-Base interactions energy: -1262.301
where: short stacking energy: -524.386
Base-Backbone interact. energy: -0.575
local terms energy: -665.073305
where:
bonds (distance) C4'-P energy: -136.409
bonds (distance) P-C4' energy: -139.107
flat angles C4'-P-C4' energy: -153.021
flat angles P-C4'-P energy: -97.575
tors. eta vs tors. theta energy: -138.962
Dist. restrs. and SS energy: 3.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -1879.214231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.214231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.640881 (E_RNA)
where:
Base-Base interactions energy: -1302.283
where: short stacking energy: -526.848
Base-Backbone interact. energy: 1.205
local terms energy: -580.563200
where:
bonds (distance) C4'-P energy: -112.119
bonds (distance) P-C4' energy: -140.741
flat angles C4'-P-C4' energy: -124.717
flat angles P-C4'-P energy: -88.915
tors. eta vs tors. theta energy: -114.071
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: 1, replica: 9
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -2991.510097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2991.510097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2994.825302 (E_RNA)
where:
Base-Base interactions energy: -2062.086
where: short stacking energy: -870.253
Base-Backbone interact. energy: -3.827
local terms energy: -928.912271
where:
bonds (distance) C4'-P energy: -148.700
bonds (distance) P-C4' energy: -171.565
flat angles C4'-P-C4' energy: -192.628
flat angles P-C4'-P energy: -136.942
tors. eta vs tors. theta energy: -279.078
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: 2, replica: 7
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -2877.773654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2877.773654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2879.413912 (E_RNA)
where:
Base-Base interactions energy: -2015.925
where: short stacking energy: -835.493
Base-Backbone interact. energy: -2.819
local terms energy: -860.670335
where:
bonds (distance) C4'-P energy: -151.136
bonds (distance) P-C4' energy: -155.036
flat angles C4'-P-C4' energy: -184.969
flat angles P-C4'-P energy: -123.032
tors. eta vs tors. theta energy: -246.497
Dist. restrs. and SS energy: 1.640 (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: 4
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -2789.247417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2789.247417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.436894 (E_RNA)
where:
Base-Base interactions energy: -1974.508
where: short stacking energy: -824.030
Base-Backbone interact. energy: -4.325
local terms energy: -812.603771
where:
bonds (distance) C4'-P energy: -152.768
bonds (distance) P-C4' energy: -139.953
flat angles C4'-P-C4' energy: -174.533
flat angles P-C4'-P energy: -109.483
tors. eta vs tors. theta energy: -235.867
Dist. restrs. and SS energy: 2.189 (S_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: 439
Temperature: 1.050000
Total energy: -2678.330559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.330559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.274487 (E_RNA)
where:
Base-Base interactions energy: -1842.668
where: short stacking energy: -739.996
Base-Backbone interact. energy: -2.754
local terms energy: -835.852776
where:
bonds (distance) C4'-P energy: -154.861
bonds (distance) P-C4' energy: -158.299
flat angles C4'-P-C4' energy: -179.915
flat angles P-C4'-P energy: -114.840
tors. eta vs tors. theta energy: -227.937
Dist. restrs. and SS energy: 2.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -2404.508173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.508173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.845135 (E_RNA)
where:
Base-Base interactions energy: -1654.845
where: short stacking energy: -690.166
Base-Backbone interact. energy: 7.307
local terms energy: -759.307011
where:
bonds (distance) C4'-P energy: -137.215
bonds (distance) P-C4' energy: -154.858
flat angles C4'-P-C4' energy: -172.029
flat angles P-C4'-P energy: -110.243
tors. eta vs tors. theta energy: -184.963
Dist. restrs. and SS energy: 2.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -2284.839914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.839914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.353161 (E_RNA)
where:
Base-Base interactions energy: -1559.023
where: short stacking energy: -683.363
Base-Backbone interact. energy: 1.066
local terms energy: -728.396229
where:
bonds (distance) C4'-P energy: -156.709
bonds (distance) P-C4' energy: -126.523
flat angles C4'-P-C4' energy: -155.608
flat angles P-C4'-P energy: -89.669
tors. eta vs tors. theta energy: -199.888
Dist. restrs. and SS energy: 1.513 (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: 3
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -2079.886017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.886017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.923182 (E_RNA)
where:
Base-Base interactions energy: -1380.497
where: short stacking energy: -597.628
Base-Backbone interact. energy: -2.212
local terms energy: -701.213528
where:
bonds (distance) C4'-P energy: -132.577
bonds (distance) P-C4' energy: -136.908
flat angles C4'-P-C4' energy: -155.046
flat angles P-C4'-P energy: -107.702
tors. eta vs tors. theta energy: -168.981
Dist. restrs. and SS energy: 4.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -1992.423431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.423431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.595279 (E_RNA)
where:
Base-Base interactions energy: -1335.032
where: short stacking energy: -580.232
Base-Backbone interact. energy: 1.760
local terms energy: -663.323581
where:
bonds (distance) C4'-P energy: -118.180
bonds (distance) P-C4' energy: -138.992
flat angles C4'-P-C4' energy: -153.774
flat angles P-C4'-P energy: -93.825
tors. eta vs tors. theta energy: -158.553
Dist. restrs. and SS energy: 4.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -1960.619657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.619657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.543545 (E_RNA)
where:
Base-Base interactions energy: -1349.857
where: short stacking energy: -567.843
Base-Backbone interact. energy: -2.697
local terms energy: -610.988800
where:
bonds (distance) C4'-P energy: -134.481
bonds (distance) P-C4' energy: -115.016
flat angles C4'-P-C4' energy: -126.706
flat angles P-C4'-P energy: -85.498
tors. eta vs tors. theta energy: -149.288
Dist. restrs. and SS energy: 2.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -1849.559017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.559017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.003180 (E_RNA)
where:
Base-Base interactions energy: -1243.543
where: short stacking energy: -528.720
Base-Backbone interact. energy: -1.724
local terms energy: -609.736488
where:
bonds (distance) C4'-P energy: -113.268
bonds (distance) P-C4' energy: -133.941
flat angles C4'-P-C4' energy: -144.879
flat angles P-C4'-P energy: -80.647
tors. eta vs tors. theta energy: -137.001
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: 1, replica: 9
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -2978.765255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2978.765255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2980.958587 (E_RNA)
where:
Base-Base interactions energy: -2049.948
where: short stacking energy: -875.977
Base-Backbone interact. energy: -2.403
local terms energy: -928.607248
where:
bonds (distance) C4'-P energy: -164.607
bonds (distance) P-C4' energy: -164.977
flat angles C4'-P-C4' energy: -199.096
flat angles P-C4'-P energy: -123.826
tors. eta vs tors. theta energy: -276.102
Dist. restrs. and SS energy: 2.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -2852.644262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2852.644262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2854.076691 (E_RNA)
where:
Base-Base interactions energy: -2001.917
where: short stacking energy: -855.382
Base-Backbone interact. energy: -3.418
local terms energy: -848.741269
where:
bonds (distance) C4'-P energy: -154.465
bonds (distance) P-C4' energy: -141.261
flat angles C4'-P-C4' energy: -181.167
flat angles P-C4'-P energy: -125.862
tors. eta vs tors. theta energy: -245.986
Dist. restrs. and SS energy: 1.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -2729.182616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.182616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.781273 (E_RNA)
where:
Base-Base interactions energy: -1914.569
where: short stacking energy: -779.005
Base-Backbone interact. energy: 0.600
local terms energy: -816.812007
where:
bonds (distance) C4'-P energy: -157.122
bonds (distance) P-C4' energy: -157.631
flat angles C4'-P-C4' energy: -160.782
flat angles P-C4'-P energy: -108.618
tors. eta vs tors. theta energy: -232.660
Dist. restrs. and SS energy: 1.599 (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: 5
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -2677.275308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.275308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.398760 (E_RNA)
where:
Base-Base interactions energy: -1864.942
where: short stacking energy: -743.210
Base-Backbone interact. energy: -1.610
local terms energy: -813.847565
where:
bonds (distance) C4'-P energy: -145.244
bonds (distance) P-C4' energy: -148.208
flat angles C4'-P-C4' energy: -173.844
flat angles P-C4'-P energy: -123.615
tors. eta vs tors. theta energy: -222.936
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: 5, replica: 8
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -2455.368676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.368676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.654361 (E_RNA)
where:
Base-Base interactions energy: -1679.133
where: short stacking energy: -716.425
Base-Backbone interact. energy: 3.597
local terms energy: -783.117599
where:
bonds (distance) C4'-P energy: -144.010
bonds (distance) P-C4' energy: -158.314
flat angles C4'-P-C4' energy: -157.847
flat angles P-C4'-P energy: -111.452
tors. eta vs tors. theta energy: -211.495
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: 6, replica: 6
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -2266.917675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.917675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.024606 (E_RNA)
where:
Base-Base interactions energy: -1525.256
where: short stacking energy: -645.231
Base-Backbone interact. energy: -0.475
local terms energy: -743.294268
where:
bonds (distance) C4'-P energy: -154.091
bonds (distance) P-C4' energy: -143.653
flat angles C4'-P-C4' energy: -158.609
flat angles P-C4'-P energy: -93.977
tors. eta vs tors. theta energy: -192.964
Dist. restrs. and SS energy: 2.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -2189.924918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.924918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.333205 (E_RNA)
where:
Base-Base interactions energy: -1487.791
where: short stacking energy: -620.829
Base-Backbone interact. energy: -0.018
local terms energy: -704.523311
where:
bonds (distance) C4'-P energy: -125.747
bonds (distance) P-C4' energy: -138.608
flat angles C4'-P-C4' energy: -163.899
flat angles P-C4'-P energy: -109.089
tors. eta vs tors. theta energy: -167.180
Dist. restrs. and SS energy: 2.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -1994.004096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.004096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.602277 (E_RNA)
where:
Base-Base interactions energy: -1370.918
where: short stacking energy: -579.186
Base-Backbone interact. energy: 0.804
local terms energy: -626.488734
where:
bonds (distance) C4'-P energy: -123.161
bonds (distance) P-C4' energy: -134.339
flat angles C4'-P-C4' energy: -122.751
flat angles P-C4'-P energy: -96.033
tors. eta vs tors. theta energy: -150.205
Dist. restrs. and SS energy: 2.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -1974.624984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.624984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.676498 (E_RNA)
where:
Base-Base interactions energy: -1348.225
where: short stacking energy: -547.992
Base-Backbone interact. energy: -0.522
local terms energy: -628.930162
where:
bonds (distance) C4'-P energy: -132.870
bonds (distance) P-C4' energy: -129.387
flat angles C4'-P-C4' energy: -148.980
flat angles P-C4'-P energy: -79.247
tors. eta vs tors. theta energy: -138.445
Dist. restrs. and SS energy: 3.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -1860.977896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.977896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.240621 (E_RNA)
where:
Base-Base interactions energy: -1256.119
where: short stacking energy: -515.025
Base-Backbone interact. energy: 0.841
local terms energy: -609.962507
where:
bonds (distance) C4'-P energy: -125.426
bonds (distance) P-C4' energy: -143.597
flat angles C4'-P-C4' energy: -139.536
flat angles P-C4'-P energy: -64.916
tors. eta vs tors. theta energy: -136.487
Dist. restrs. and SS energy: 4.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -2972.180806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2972.180806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2975.257059 (E_RNA)
where:
Base-Base interactions energy: -2062.090
where: short stacking energy: -865.479
Base-Backbone interact. energy: -2.973
local terms energy: -910.194537
where:
bonds (distance) C4'-P energy: -159.179
bonds (distance) P-C4' energy: -160.235
flat angles C4'-P-C4' energy: -185.166
flat angles P-C4'-P energy: -141.227
tors. eta vs tors. theta energy: -264.387
Dist. restrs. and SS energy: 3.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -2859.302350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2859.302350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2860.970430 (E_RNA)
where:
Base-Base interactions energy: -1986.581
where: short stacking energy: -812.536
Base-Backbone interact. energy: -3.266
local terms energy: -871.123262
where:
bonds (distance) C4'-P energy: -152.080
bonds (distance) P-C4' energy: -169.891
flat angles C4'-P-C4' energy: -182.709
flat angles P-C4'-P energy: -131.752
tors. eta vs tors. theta energy: -234.692
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: 3, replica: 4
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -2670.089095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.089095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.992737 (E_RNA)
where:
Base-Base interactions energy: -1873.399
where: short stacking energy: -773.654
Base-Backbone interact. energy: -0.118
local terms energy: -798.475698
where:
bonds (distance) C4'-P energy: -149.695
bonds (distance) P-C4' energy: -143.327
flat angles C4'-P-C4' energy: -166.171
flat angles P-C4'-P energy: -117.998
tors. eta vs tors. theta energy: -221.284
Dist. restrs. and SS energy: 1.904 (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: 5
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -2705.240700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.240700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.801946 (E_RNA)
where:
Base-Base interactions energy: -1898.290
where: short stacking energy: -765.638
Base-Backbone interact. energy: -1.403
local terms energy: -807.108572
where:
bonds (distance) C4'-P energy: -140.725
bonds (distance) P-C4' energy: -145.664
flat angles C4'-P-C4' energy: -194.038
flat angles P-C4'-P energy: -99.450
tors. eta vs tors. theta energy: -227.232
Dist. restrs. and SS energy: 1.561 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -2428.869731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.869731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.494883 (E_RNA)
where:
Base-Base interactions energy: -1647.805
where: short stacking energy: -697.539
Base-Backbone interact. energy: -3.853
local terms energy: -778.837604
where:
bonds (distance) C4'-P energy: -132.407
bonds (distance) P-C4' energy: -150.720
flat angles C4'-P-C4' energy: -176.412
flat angles P-C4'-P energy: -113.076
tors. eta vs tors. theta energy: -206.223
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: 6, replica: 6
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -2267.858312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.858312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.538514 (E_RNA)
where:
Base-Base interactions energy: -1526.363
where: short stacking energy: -649.834
Base-Backbone interact. energy: 3.967
local terms energy: -747.143014
where:
bonds (distance) C4'-P energy: -132.767
bonds (distance) P-C4' energy: -148.001
flat angles C4'-P-C4' energy: -168.661
flat angles P-C4'-P energy: -107.631
tors. eta vs tors. theta energy: -190.083
Dist. restrs. and SS energy: 1.680 (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: 3
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -2151.573113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.573113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.590715 (E_RNA)
where:
Base-Base interactions energy: -1459.092
where: short stacking energy: -619.085
Base-Backbone interact. energy: 5.457
local terms energy: -699.955638
where:
bonds (distance) C4'-P energy: -143.938
bonds (distance) P-C4' energy: -148.462
flat angles C4'-P-C4' energy: -146.529
flat angles P-C4'-P energy: -77.443
tors. eta vs tors. theta energy: -183.584
Dist. restrs. and SS energy: 2.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -2031.147708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.147708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.979473 (E_RNA)
where:
Base-Base interactions energy: -1377.361
where: short stacking energy: -573.757
Base-Backbone interact. energy: -2.285
local terms energy: -655.333061
where:
bonds (distance) C4'-P energy: -137.966
bonds (distance) P-C4' energy: -128.305
flat angles C4'-P-C4' energy: -136.398
flat angles P-C4'-P energy: -85.715
tors. eta vs tors. theta energy: -166.950
Dist. restrs. and SS energy: 3.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -1966.593171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.593171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.655022 (E_RNA)
where:
Base-Base interactions energy: -1346.583
where: short stacking energy: -572.115
Base-Backbone interact. energy: -0.998
local terms energy: -623.073064
where:
bonds (distance) C4'-P energy: -114.410
bonds (distance) P-C4' energy: -136.230
flat angles C4'-P-C4' energy: -149.440
flat angles P-C4'-P energy: -84.807
tors. eta vs tors. theta energy: -138.187
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: 10, replica: 10
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -1842.418914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.418914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.642469 (E_RNA)
where:
Base-Base interactions energy: -1258.454
where: short stacking energy: -526.843
Base-Backbone interact. energy: -0.103
local terms energy: -587.085478
where:
bonds (distance) C4'-P energy: -126.286
bonds (distance) P-C4' energy: -114.114
flat angles C4'-P-C4' energy: -136.536
flat angles P-C4'-P energy: -82.305
tors. eta vs tors. theta energy: -127.844
Dist. restrs. and SS energy: 3.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -2968.880607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2968.880607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2970.363255 (E_RNA)
where:
Base-Base interactions energy: -2077.903
where: short stacking energy: -849.831
Base-Backbone interact. energy: -1.927
local terms energy: -890.533626
where:
bonds (distance) C4'-P energy: -143.377
bonds (distance) P-C4' energy: -169.570
flat angles C4'-P-C4' energy: -180.580
flat angles P-C4'-P energy: -132.245
tors. eta vs tors. theta energy: -264.762
Dist. restrs. and SS energy: 1.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -2858.509018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2858.509018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2859.884520 (E_RNA)
where:
Base-Base interactions energy: -1991.186
where: short stacking energy: -818.575
Base-Backbone interact. energy: -3.638
local terms energy: -865.060462
where:
bonds (distance) C4'-P energy: -153.910
bonds (distance) P-C4' energy: -149.058
flat angles C4'-P-C4' energy: -194.829
flat angles P-C4'-P energy: -128.423
tors. eta vs tors. theta energy: -238.840
Dist. restrs. and SS energy: 1.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -2767.484563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.484563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2769.029205 (E_RNA)
where:
Base-Base interactions energy: -1914.886
where: short stacking energy: -806.110
Base-Backbone interact. energy: -6.013
local terms energy: -848.129723
where:
bonds (distance) C4'-P energy: -154.202
bonds (distance) P-C4' energy: -164.681
flat angles C4'-P-C4' energy: -176.560
flat angles P-C4'-P energy: -120.553
tors. eta vs tors. theta energy: -232.135
Dist. restrs. and SS energy: 1.545 (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: 4
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -2673.804666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.804666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.154364 (E_RNA)
where:
Base-Base interactions energy: -1864.020
where: short stacking energy: -773.315
Base-Backbone interact. energy: -2.722
local terms energy: -808.411855
where:
bonds (distance) C4'-P energy: -153.761
bonds (distance) P-C4' energy: -144.244
flat angles C4'-P-C4' energy: -170.362
flat angles P-C4'-P energy: -108.693
tors. eta vs tors. theta energy: -231.352
Dist. restrs. and SS energy: 1.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -2371.698690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.698690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.181479 (E_RNA)
where:
Base-Base interactions energy: -1603.013
where: short stacking energy: -696.581
Base-Backbone interact. energy: 0.632
local terms energy: -770.800541
where:
bonds (distance) C4'-P energy: -134.163
bonds (distance) P-C4' energy: -166.705
flat angles C4'-P-C4' energy: -165.581
flat angles P-C4'-P energy: -114.689
tors. eta vs tors. theta energy: -189.663
Dist. restrs. and SS energy: 1.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -2258.320471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.320471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.073872 (E_RNA)
where:
Base-Base interactions energy: -1514.763
where: short stacking energy: -658.083
Base-Backbone interact. energy: -3.708
local terms energy: -742.603045
where:
bonds (distance) C4'-P energy: -159.706
bonds (distance) P-C4' energy: -143.962
flat angles C4'-P-C4' energy: -169.965
flat angles P-C4'-P energy: -86.229
tors. eta vs tors. theta energy: -182.741
Dist. restrs. and SS energy: 2.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -2169.177153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.177153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.331385 (E_RNA)
where:
Base-Base interactions energy: -1473.502
where: short stacking energy: -603.238
Base-Backbone interact. energy: -5.431
local terms energy: -692.398937
where:
bonds (distance) C4'-P energy: -147.367
bonds (distance) P-C4' energy: -125.258
flat angles C4'-P-C4' energy: -164.193
flat angles P-C4'-P energy: -90.477
tors. eta vs tors. theta energy: -165.104
Dist. restrs. and SS energy: 2.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -2036.127242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.127242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.814817 (E_RNA)
where:
Base-Base interactions energy: -1391.765
where: short stacking energy: -587.753
Base-Backbone interact. energy: -3.675
local terms energy: -644.374995
where:
bonds (distance) C4'-P energy: -126.874
bonds (distance) P-C4' energy: -126.741
flat angles C4'-P-C4' energy: -148.660
flat angles P-C4'-P energy: -73.497
tors. eta vs tors. theta energy: -168.603
Dist. restrs. and SS energy: 3.688 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -1952.347780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.347780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.069255 (E_RNA)
where:
Base-Base interactions energy: -1349.386
where: short stacking energy: -587.706
Base-Backbone interact. energy: -1.114
local terms energy: -604.569522
where:
bonds (distance) C4'-P energy: -114.222
bonds (distance) P-C4' energy: -134.847
flat angles C4'-P-C4' energy: -135.642
flat angles P-C4'-P energy: -83.012
tors. eta vs tors. theta energy: -136.846
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: 10, replica: 10
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -1837.892518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.892518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.278732 (E_RNA)
where:
Base-Base interactions energy: -1300.094
where: short stacking energy: -520.360
Base-Backbone interact. energy: 4.226
local terms energy: -545.410424
where:
bonds (distance) C4'-P energy: -106.972
bonds (distance) P-C4' energy: -117.144
flat angles C4'-P-C4' energy: -137.462
flat angles P-C4'-P energy: -56.267
tors. eta vs tors. theta energy: -127.565
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: 1, replica: 9
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -3002.943462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3002.943462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3005.086947 (E_RNA)
where:
Base-Base interactions energy: -2107.068
where: short stacking energy: -879.746
Base-Backbone interact. energy: -5.461
local terms energy: -892.557931
where:
bonds (distance) C4'-P energy: -159.714
bonds (distance) P-C4' energy: -156.379
flat angles C4'-P-C4' energy: -186.524
flat angles P-C4'-P energy: -127.987
tors. eta vs tors. theta energy: -261.954
Dist. restrs. and SS energy: 2.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -2861.467649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2861.467649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2863.230080 (E_RNA)
where:
Base-Base interactions energy: -1980.235
where: short stacking energy: -820.455
Base-Backbone interact. energy: -5.011
local terms energy: -877.983767
where:
bonds (distance) C4'-P energy: -159.939
bonds (distance) P-C4' energy: -158.071
flat angles C4'-P-C4' energy: -187.329
flat angles P-C4'-P energy: -132.404
tors. eta vs tors. theta energy: -240.240
Dist. restrs. and SS energy: 1.762 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -2786.757201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.757201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.000222 (E_RNA)
where:
Base-Base interactions energy: -1946.278
where: short stacking energy: -798.498
Base-Backbone interact. energy: 2.433
local terms energy: -845.155319
where:
bonds (distance) C4'-P energy: -159.235
bonds (distance) P-C4' energy: -149.067
flat angles C4'-P-C4' energy: -174.283
flat angles P-C4'-P energy: -111.307
tors. eta vs tors. theta energy: -251.263
Dist. restrs. and SS energy: 2.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -2651.436195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.436195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.227508 (E_RNA)
where:
Base-Base interactions energy: -1857.232
where: short stacking energy: -736.988
Base-Backbone interact. energy: -2.051
local terms energy: -793.944619
where:
bonds (distance) C4'-P energy: -156.626
bonds (distance) P-C4' energy: -160.302
flat angles C4'-P-C4' energy: -158.077
flat angles P-C4'-P energy: -108.471
tors. eta vs tors. theta energy: -210.469
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: 5, replica: 8
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -2413.611551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.611551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.100853 (E_RNA)
where:
Base-Base interactions energy: -1673.009
where: short stacking energy: -704.836
Base-Backbone interact. energy: -4.331
local terms energy: -737.761450
where:
bonds (distance) C4'-P energy: -136.237
bonds (distance) P-C4' energy: -147.727
flat angles C4'-P-C4' energy: -156.292
flat angles P-C4'-P energy: -99.133
tors. eta vs tors. theta energy: -198.373
Dist. restrs. and SS energy: 1.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -2275.818620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.818620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.441718 (E_RNA)
where:
Base-Base interactions energy: -1542.114
where: short stacking energy: -676.509
Base-Backbone interact. energy: -5.835
local terms energy: -731.493200
where:
bonds (distance) C4'-P energy: -149.445
bonds (distance) P-C4' energy: -146.033
flat angles C4'-P-C4' energy: -152.747
flat angles P-C4'-P energy: -94.347
tors. eta vs tors. theta energy: -188.921
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: 7, replica: 3
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -2169.300014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.300014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.124830 (E_RNA)
where:
Base-Base interactions energy: -1461.609
where: short stacking energy: -640.255
Base-Backbone interact. energy: 3.854
local terms energy: -713.369557
where:
bonds (distance) C4'-P energy: -128.993
bonds (distance) P-C4' energy: -143.174
flat angles C4'-P-C4' energy: -157.924
flat angles P-C4'-P energy: -100.205
tors. eta vs tors. theta energy: -183.074
Dist. restrs. and SS energy: 1.825 (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: 1
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -2086.012795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.012795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.885339 (E_RNA)
where:
Base-Base interactions energy: -1401.353
where: short stacking energy: -629.993
Base-Backbone interact. energy: 0.274
local terms energy: -686.805912
where:
bonds (distance) C4'-P energy: -122.338
bonds (distance) P-C4' energy: -142.129
flat angles C4'-P-C4' energy: -160.693
flat angles P-C4'-P energy: -90.627
tors. eta vs tors. theta energy: -171.018
Dist. restrs. and SS energy: 1.873 (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: 2
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -1939.904095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.904095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.845721 (E_RNA)
where:
Base-Base interactions energy: -1335.232
where: short stacking energy: -554.434
Base-Backbone interact. energy: -0.857
local terms energy: -605.756196
where:
bonds (distance) C4'-P energy: -100.430
bonds (distance) P-C4' energy: -131.739
flat angles C4'-P-C4' energy: -144.939
flat angles P-C4'-P energy: -89.644
tors. eta vs tors. theta energy: -139.005
Dist. restrs. and SS energy: 1.942 (S_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: 443
Temperature: 1.350000
Total energy: -1867.013186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.013186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.124544 (E_RNA)
where:
Base-Base interactions energy: -1287.077
where: short stacking energy: -537.358
Base-Backbone interact. energy: 8.185
local terms energy: -591.232375
where:
bonds (distance) C4'-P energy: -119.589
bonds (distance) P-C4' energy: -133.910
flat angles C4'-P-C4' energy: -133.220
flat angles P-C4'-P energy: -66.054
tors. eta vs tors. theta energy: -138.460
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: 1, replica: 9
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -3011.991438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3011.991438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3014.234845 (E_RNA)
where:
Base-Base interactions energy: -2101.992
where: short stacking energy: -885.830
Base-Backbone interact. energy: -2.342
local terms energy: -909.901767
where:
bonds (distance) C4'-P energy: -150.361
bonds (distance) P-C4' energy: -160.775
flat angles C4'-P-C4' energy: -197.497
flat angles P-C4'-P energy: -133.278
tors. eta vs tors. theta energy: -267.991
Dist. restrs. and SS energy: 2.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -2820.362323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.362323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.607302 (E_RNA)
where:
Base-Base interactions energy: -1992.483
where: short stacking energy: -809.232
Base-Backbone interact. energy: 7.293
local terms energy: -836.417637
where:
bonds (distance) C4'-P energy: -144.056
bonds (distance) P-C4' energy: -153.440
flat angles C4'-P-C4' energy: -190.988
flat angles P-C4'-P energy: -112.981
tors. eta vs tors. theta energy: -234.953
Dist. restrs. and SS energy: 1.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -2746.059211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.059211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.681714 (E_RNA)
where:
Base-Base interactions energy: -1940.999
where: short stacking energy: -808.320
Base-Backbone interact. energy: 6.714
local terms energy: -813.396433
where:
bonds (distance) C4'-P energy: -135.819
bonds (distance) P-C4' energy: -155.174
flat angles C4'-P-C4' energy: -171.947
flat angles P-C4'-P energy: -113.311
tors. eta vs tors. theta energy: -237.146
Dist. restrs. and SS energy: 1.623 (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: 4
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -2577.268952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.268952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.239268 (E_RNA)
where:
Base-Base interactions energy: -1787.860
where: short stacking energy: -735.917
Base-Backbone interact. energy: -3.640
local terms energy: -786.738669
where:
bonds (distance) C4'-P energy: -148.643
bonds (distance) P-C4' energy: -150.506
flat angles C4'-P-C4' energy: -182.379
flat angles P-C4'-P energy: -102.871
tors. eta vs tors. theta energy: -202.339
Dist. restrs. and SS energy: 0.970 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -2383.838996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.838996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.745546 (E_RNA)
where:
Base-Base interactions energy: -1654.556
where: short stacking energy: -714.162
Base-Backbone interact. energy: -1.086
local terms energy: -730.103423
where:
bonds (distance) C4'-P energy: -151.806
bonds (distance) P-C4' energy: -124.591
flat angles C4'-P-C4' energy: -149.844
flat angles P-C4'-P energy: -113.877
tors. eta vs tors. theta energy: -189.985
Dist. restrs. and SS energy: 1.907 (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: 6
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -2278.021206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.021206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.744911 (E_RNA)
where:
Base-Base interactions energy: -1533.729
where: short stacking energy: -660.697
Base-Backbone interact. energy: 3.549
local terms energy: -750.564544
where:
bonds (distance) C4'-P energy: -143.398
bonds (distance) P-C4' energy: -148.283
flat angles C4'-P-C4' energy: -168.502
flat angles P-C4'-P energy: -98.320
tors. eta vs tors. theta energy: -192.061
Dist. restrs. and SS energy: 2.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -2144.535023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.535023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.660515 (E_RNA)
where:
Base-Base interactions energy: -1457.604
where: short stacking energy: -609.189
Base-Backbone interact. energy: -0.752
local terms energy: -691.304629
where:
bonds (distance) C4'-P energy: -131.639
bonds (distance) P-C4' energy: -134.260
flat angles C4'-P-C4' energy: -164.923
flat angles P-C4'-P energy: -95.707
tors. eta vs tors. theta energy: -164.776
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: 8, replica: 1
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -2013.505360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.505360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.450184 (E_RNA)
where:
Base-Base interactions energy: -1347.829
where: short stacking energy: -567.395
Base-Backbone interact. energy: -3.965
local terms energy: -664.656096
where:
bonds (distance) C4'-P energy: -119.170
bonds (distance) P-C4' energy: -139.461
flat angles C4'-P-C4' energy: -157.845
flat angles P-C4'-P energy: -93.333
tors. eta vs tors. theta energy: -154.847
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: 9, replica: 10
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -1959.367736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.367736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.450947 (E_RNA)
where:
Base-Base interactions energy: -1370.540
where: short stacking energy: -581.441
Base-Backbone interact. energy: -1.570
local terms energy: -590.340457
where:
bonds (distance) C4'-P energy: -123.005
bonds (distance) P-C4' energy: -112.277
flat angles C4'-P-C4' energy: -122.875
flat angles P-C4'-P energy: -87.517
tors. eta vs tors. theta energy: -144.667
Dist. restrs. and SS energy: 3.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -1886.607118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.607118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.674044 (E_RNA)
where:
Base-Base interactions energy: -1292.353
where: short stacking energy: -532.627
Base-Backbone interact. energy: 2.562
local terms energy: -598.882595
where:
bonds (distance) C4'-P energy: -113.620
bonds (distance) P-C4' energy: -127.689
flat angles C4'-P-C4' energy: -142.685
flat angles P-C4'-P energy: -75.100
tors. eta vs tors. theta energy: -139.789
Dist. restrs. and SS energy: 2.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -3003.345573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3003.345573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3006.131957 (E_RNA)
where:
Base-Base interactions energy: -2112.308
where: short stacking energy: -878.625
Base-Backbone interact. energy: 2.861
local terms energy: -896.685368
where:
bonds (distance) C4'-P energy: -164.837
bonds (distance) P-C4' energy: -161.393
flat angles C4'-P-C4' energy: -184.824
flat angles P-C4'-P energy: -130.092
tors. eta vs tors. theta energy: -255.539
Dist. restrs. and SS energy: 2.786 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -2836.124150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2836.124150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2837.672547 (E_RNA)
where:
Base-Base interactions energy: -1986.588
where: short stacking energy: -806.214
Base-Backbone interact. energy: -4.824
local terms energy: -846.260765
where:
bonds (distance) C4'-P energy: -162.939
bonds (distance) P-C4' energy: -158.055
flat angles C4'-P-C4' energy: -176.609
flat angles P-C4'-P energy: -112.866
tors. eta vs tors. theta energy: -235.792
Dist. restrs. and SS energy: 1.548 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -2753.157594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.157594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2755.046135 (E_RNA)
where:
Base-Base interactions energy: -1913.266
where: short stacking energy: -794.252
Base-Backbone interact. energy: -1.976
local terms energy: -839.804477
where:
bonds (distance) C4'-P energy: -142.848
bonds (distance) P-C4' energy: -166.215
flat angles C4'-P-C4' energy: -179.517
flat angles P-C4'-P energy: -106.714
tors. eta vs tors. theta energy: -244.511
Dist. restrs. and SS energy: 1.889 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -2552.849805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.849805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.486901 (E_RNA)
where:
Base-Base interactions energy: -1754.615
where: short stacking energy: -726.465
Base-Backbone interact. energy: -2.505
local terms energy: -798.366608
where:
bonds (distance) C4'-P energy: -141.749
bonds (distance) P-C4' energy: -150.136
flat angles C4'-P-C4' energy: -162.834
flat angles P-C4'-P energy: -130.574
tors. eta vs tors. theta energy: -213.074
Dist. restrs. and SS energy: 2.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -2421.400342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.400342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.173524 (E_RNA)
where:
Base-Base interactions energy: -1655.203
where: short stacking energy: -692.417
Base-Backbone interact. energy: -1.295
local terms energy: -767.675004
where:
bonds (distance) C4'-P energy: -134.820
bonds (distance) P-C4' energy: -154.125
flat angles C4'-P-C4' energy: -178.541
flat angles P-C4'-P energy: -116.425
tors. eta vs tors. theta energy: -183.764
Dist. restrs. and SS energy: 2.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -2298.388952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.388952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.551635 (E_RNA)
where:
Base-Base interactions energy: -1551.685
where: short stacking energy: -672.710
Base-Backbone interact. energy: -3.699
local terms energy: -746.167704
where:
bonds (distance) C4'-P energy: -164.299
bonds (distance) P-C4' energy: -154.751
flat angles C4'-P-C4' energy: -155.967
flat angles P-C4'-P energy: -84.244
tors. eta vs tors. theta energy: -186.906
Dist. restrs. and SS energy: 3.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -2183.905382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.905382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.677472 (E_RNA)
where:
Base-Base interactions energy: -1467.387
where: short stacking energy: -639.738
Base-Backbone interact. energy: 2.909
local terms energy: -721.198798
where:
bonds (distance) C4'-P energy: -165.412
bonds (distance) P-C4' energy: -138.238
flat angles C4'-P-C4' energy: -155.169
flat angles P-C4'-P energy: -96.386
tors. eta vs tors. theta energy: -165.994
Dist. restrs. and SS energy: 1.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -2014.186935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.186935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.233338 (E_RNA)
where:
Base-Base interactions energy: -1371.991
where: short stacking energy: -577.039
Base-Backbone interact. energy: 5.935
local terms energy: -650.176841
where:
bonds (distance) C4'-P energy: -131.529
bonds (distance) P-C4' energy: -129.526
flat angles C4'-P-C4' energy: -157.076
flat angles P-C4'-P energy: -70.996
tors. eta vs tors. theta energy: -161.050
Dist. restrs. and SS energy: 2.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -1931.861779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.861779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.982882 (E_RNA)
where:
Base-Base interactions energy: -1321.042
where: short stacking energy: -540.684
Base-Backbone interact. energy: 3.731
local terms energy: -618.672522
where:
bonds (distance) C4'-P energy: -109.617
bonds (distance) P-C4' energy: -137.731
flat angles C4'-P-C4' energy: -150.558
flat angles P-C4'-P energy: -87.911
tors. eta vs tors. theta energy: -132.855
Dist. restrs. and SS energy: 4.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -1880.469282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.469282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.297848 (E_RNA)
where:
Base-Base interactions energy: -1281.188
where: short stacking energy: -534.342
Base-Backbone interact. energy: 0.062
local terms energy: -602.172510
where:
bonds (distance) C4'-P energy: -108.578
bonds (distance) P-C4' energy: -132.177
flat angles C4'-P-C4' energy: -143.772
flat angles P-C4'-P energy: -84.874
tors. eta vs tors. theta energy: -132.771
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: 1, replica: 9
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -2994.830461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2994.830461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2997.090444 (E_RNA)
where:
Base-Base interactions energy: -2103.330
where: short stacking energy: -867.757
Base-Backbone interact. energy: -4.882
local terms energy: -888.878036
where:
bonds (distance) C4'-P energy: -154.740
bonds (distance) P-C4' energy: -165.626
flat angles C4'-P-C4' energy: -190.552
flat angles P-C4'-P energy: -110.666
tors. eta vs tors. theta energy: -267.295
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: 7
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -2829.957206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2829.957206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2831.115005 (E_RNA)
where:
Base-Base interactions energy: -1965.181
where: short stacking energy: -813.766
Base-Backbone interact. energy: -3.192
local terms energy: -862.741804
where:
bonds (distance) C4'-P energy: -154.975
bonds (distance) P-C4' energy: -167.651
flat angles C4'-P-C4' energy: -168.889
flat angles P-C4'-P energy: -124.649
tors. eta vs tors. theta energy: -246.578
Dist. restrs. and SS energy: 1.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -2748.571331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2748.571331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2751.993434 (E_RNA)
where:
Base-Base interactions energy: -1879.123
where: short stacking energy: -785.746
Base-Backbone interact. energy: -2.612
local terms energy: -870.259022
where:
bonds (distance) C4'-P energy: -149.362
bonds (distance) P-C4' energy: -154.849
flat angles C4'-P-C4' energy: -188.542
flat angles P-C4'-P energy: -133.108
tors. eta vs tors. theta energy: -244.398
Dist. restrs. and SS energy: 3.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -2562.688544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.688544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.217008 (E_RNA)
where:
Base-Base interactions energy: -1791.412
where: short stacking energy: -735.996
Base-Backbone interact. energy: -0.321
local terms energy: -772.484077
where:
bonds (distance) C4'-P energy: -145.121
bonds (distance) P-C4' energy: -150.617
flat angles C4'-P-C4' energy: -186.993
flat angles P-C4'-P energy: -84.837
tors. eta vs tors. theta energy: -204.916
Dist. restrs. and SS energy: 1.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -2441.073473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.073473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.670275 (E_RNA)
where:
Base-Base interactions energy: -1667.627
where: short stacking energy: -713.358
Base-Backbone interact. energy: -2.998
local terms energy: -772.045622
where:
bonds (distance) C4'-P energy: -140.409
bonds (distance) P-C4' energy: -158.162
flat angles C4'-P-C4' energy: -158.217
flat angles P-C4'-P energy: -103.466
tors. eta vs tors. theta energy: -211.791
Dist. restrs. and SS energy: 1.597 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -2276.902381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.902381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.787378 (E_RNA)
where:
Base-Base interactions energy: -1581.573
where: short stacking energy: -670.892
Base-Backbone interact. energy: -1.205
local terms energy: -696.009178
where:
bonds (distance) C4'-P energy: -119.476
bonds (distance) P-C4' energy: -132.970
flat angles C4'-P-C4' energy: -167.601
flat angles P-C4'-P energy: -91.348
tors. eta vs tors. theta energy: -184.615
Dist. restrs. and SS energy: 1.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -2137.680825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.680825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.244289 (E_RNA)
where:
Base-Base interactions energy: -1444.188
where: short stacking energy: -600.553
Base-Backbone interact. energy: -1.610
local terms energy: -694.445442
where:
bonds (distance) C4'-P energy: -138.703
bonds (distance) P-C4' energy: -149.377
flat angles C4'-P-C4' energy: -149.738
flat angles P-C4'-P energy: -94.706
tors. eta vs tors. theta energy: -161.922
Dist. restrs. and SS energy: 2.563 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -2025.401931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.401931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.762870 (E_RNA)
where:
Base-Base interactions energy: -1394.779
where: short stacking energy: -592.904
Base-Backbone interact. energy: 3.768
local terms energy: -636.751904
where:
bonds (distance) C4'-P energy: -115.245
bonds (distance) P-C4' energy: -124.807
flat angles C4'-P-C4' energy: -146.597
flat angles P-C4'-P energy: -108.111
tors. eta vs tors. theta energy: -141.993
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: 9, replica: 10
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -1907.486663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.486663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.133679 (E_RNA)
where:
Base-Base interactions energy: -1319.759
where: short stacking energy: -546.401
Base-Backbone interact. energy: 2.583
local terms energy: -591.957992
where:
bonds (distance) C4'-P energy: -127.920
bonds (distance) P-C4' energy: -131.726
flat angles C4'-P-C4' energy: -127.678
flat angles P-C4'-P energy: -77.240
tors. eta vs tors. theta energy: -127.394
Dist. restrs. and SS energy: 1.647 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -1898.330061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.330061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.193082 (E_RNA)
where:
Base-Base interactions energy: -1285.565
where: short stacking energy: -518.721
Base-Backbone interact. energy: -2.457
local terms energy: -613.171780
where:
bonds (distance) C4'-P energy: -121.763
bonds (distance) P-C4' energy: -138.578
flat angles C4'-P-C4' energy: -142.729
flat angles P-C4'-P energy: -82.761
tors. eta vs tors. theta energy: -127.341
Dist. restrs. and SS energy: 2.863 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -3001.174908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3001.174908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3002.476315 (E_RNA)
where:
Base-Base interactions energy: -2105.601
where: short stacking energy: -870.509
Base-Backbone interact. energy: 0.155
local terms energy: -897.030736
where:
bonds (distance) C4'-P energy: -150.478
bonds (distance) P-C4' energy: -170.243
flat angles C4'-P-C4' energy: -179.477
flat angles P-C4'-P energy: -139.675
tors. eta vs tors. theta energy: -257.158
Dist. restrs. and SS energy: 1.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -2841.203622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2841.203622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2842.432752 (E_RNA)
where:
Base-Base interactions energy: -1981.551
where: short stacking energy: -824.393
Base-Backbone interact. energy: -4.247
local terms energy: -856.635269
where:
bonds (distance) C4'-P energy: -159.731
bonds (distance) P-C4' energy: -151.576
flat angles C4'-P-C4' energy: -168.285
flat angles P-C4'-P energy: -126.825
tors. eta vs tors. theta energy: -250.219
Dist. restrs. and SS energy: 1.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -2759.483872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.483872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.103495 (E_RNA)
where:
Base-Base interactions energy: -1938.676
where: short stacking energy: -797.264
Base-Backbone interact. energy: -0.281
local terms energy: -822.146087
where:
bonds (distance) C4'-P energy: -132.614
bonds (distance) P-C4' energy: -167.146
flat angles C4'-P-C4' energy: -167.833
flat angles P-C4'-P energy: -107.758
tors. eta vs tors. theta energy: -246.795
Dist. restrs. and SS energy: 1.620 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -2572.484073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.484073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.866263 (E_RNA)
where:
Base-Base interactions energy: -1805.357
where: short stacking energy: -730.272
Base-Backbone interact. energy: -3.355
local terms energy: -766.154528
where:
bonds (distance) C4'-P energy: -128.460
bonds (distance) P-C4' energy: -158.600
flat angles C4'-P-C4' energy: -170.362
flat angles P-C4'-P energy: -115.237
tors. eta vs tors. theta energy: -193.494
Dist. restrs. and SS energy: 2.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -2453.821544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.821544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.980094 (E_RNA)
where:
Base-Base interactions energy: -1693.535
where: short stacking energy: -700.859
Base-Backbone interact. energy: 0.837
local terms energy: -763.281368
where:
bonds (distance) C4'-P energy: -153.738
bonds (distance) P-C4' energy: -138.257
flat angles C4'-P-C4' energy: -172.789
flat angles P-C4'-P energy: -95.924
tors. eta vs tors. theta energy: -202.574
Dist. restrs. and SS energy: 2.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -2375.126366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.126366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.999328 (E_RNA)
where:
Base-Base interactions energy: -1603.053
where: short stacking energy: -706.426
Base-Backbone interact. energy: -3.045
local terms energy: -770.901432
where:
bonds (distance) C4'-P energy: -157.394
bonds (distance) P-C4' energy: -128.827
flat angles C4'-P-C4' energy: -159.975
flat angles P-C4'-P energy: -115.844
tors. eta vs tors. theta energy: -208.862
Dist. restrs. and SS energy: 1.873 (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: 3
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -2137.452220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.452220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.880824 (E_RNA)
where:
Base-Base interactions energy: -1451.987
where: short stacking energy: -608.809
Base-Backbone interact. energy: -1.378
local terms energy: -686.515682
where:
bonds (distance) C4'-P energy: -141.142
bonds (distance) P-C4' energy: -133.703
flat angles C4'-P-C4' energy: -155.339
flat angles P-C4'-P energy: -88.176
tors. eta vs tors. theta energy: -168.156
Dist. restrs. and SS energy: 2.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -2002.623339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.623339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.626628 (E_RNA)
where:
Base-Base interactions energy: -1382.595
where: short stacking energy: -591.137
Base-Backbone interact. energy: -2.880
local terms energy: -620.150915
where:
bonds (distance) C4'-P energy: -137.642
bonds (distance) P-C4' energy: -105.480
flat angles C4'-P-C4' energy: -141.688
flat angles P-C4'-P energy: -94.561
tors. eta vs tors. theta energy: -140.780
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: 9, replica: 10
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -1917.146283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.146283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.603045 (E_RNA)
where:
Base-Base interactions energy: -1275.576
where: short stacking energy: -523.016
Base-Backbone interact. energy: 1.718
local terms energy: -649.744585
where:
bonds (distance) C4'-P energy: -136.192
bonds (distance) P-C4' energy: -136.777
flat angles C4'-P-C4' energy: -147.902
flat angles P-C4'-P energy: -100.189
tors. eta vs tors. theta energy: -128.685
Dist. restrs. and SS energy: 6.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -1885.774185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.774185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.605124 (E_RNA)
where:
Base-Base interactions energy: -1264.367
where: short stacking energy: -517.806
Base-Backbone interact. energy: 3.123
local terms energy: -627.360800
where:
bonds (distance) C4'-P energy: -130.533
bonds (distance) P-C4' energy: -133.226
flat angles C4'-P-C4' energy: -136.313
flat angles P-C4'-P energy: -94.262
tors. eta vs tors. theta energy: -133.027
Dist. restrs. and SS energy: 2.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -2964.323998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2964.323998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2967.936082 (E_RNA)
where:
Base-Base interactions energy: -2053.683
where: short stacking energy: -840.366
Base-Backbone interact. energy: 5.635
local terms energy: -919.887698
where:
bonds (distance) C4'-P energy: -158.745
bonds (distance) P-C4' energy: -159.355
flat angles C4'-P-C4' energy: -200.540
flat angles P-C4'-P energy: -138.700
tors. eta vs tors. theta energy: -262.548
Dist. restrs. and SS energy: 3.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -2829.266877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2829.266877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2830.548233 (E_RNA)
where:
Base-Base interactions energy: -1984.410
where: short stacking energy: -817.235
Base-Backbone interact. energy: 2.499
local terms energy: -848.636480
where:
bonds (distance) C4'-P energy: -154.868
bonds (distance) P-C4' energy: -140.331
flat angles C4'-P-C4' energy: -195.634
flat angles P-C4'-P energy: -114.866
tors. eta vs tors. theta energy: -242.937
Dist. restrs. and SS energy: 1.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -2716.968514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.968514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.440926 (E_RNA)
where:
Base-Base interactions energy: -1909.535
where: short stacking energy: -785.125
Base-Backbone interact. energy: 6.117
local terms energy: -815.022796
where:
bonds (distance) C4'-P energy: -144.966
bonds (distance) P-C4' energy: -160.914
flat angles C4'-P-C4' energy: -161.969
flat angles P-C4'-P energy: -114.267
tors. eta vs tors. theta energy: -232.907
Dist. restrs. and SS energy: 1.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -2607.037166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.037166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.816821 (E_RNA)
where:
Base-Base interactions energy: -1798.780
where: short stacking energy: -742.878
Base-Backbone interact. energy: -4.421
local terms energy: -805.615462
where:
bonds (distance) C4'-P energy: -142.150
bonds (distance) P-C4' energy: -160.782
flat angles C4'-P-C4' energy: -174.049
flat angles P-C4'-P energy: -107.101
tors. eta vs tors. theta energy: -221.534
Dist. restrs. and SS energy: 1.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -2445.931360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.931360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.443953 (E_RNA)
where:
Base-Base interactions energy: -1678.266
where: short stacking energy: -711.567
Base-Backbone interact. energy: 0.238
local terms energy: -769.415872
where:
bonds (distance) C4'-P energy: -153.874
bonds (distance) P-C4' energy: -141.174
flat angles C4'-P-C4' energy: -180.888
flat angles P-C4'-P energy: -97.548
tors. eta vs tors. theta energy: -195.931
Dist. restrs. and SS energy: 1.513 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -2274.168451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.168451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.173027 (E_RNA)
where:
Base-Base interactions energy: -1540.694
where: short stacking energy: -700.243
Base-Backbone interact. energy: 1.799
local terms energy: -737.277800
where:
bonds (distance) C4'-P energy: -123.906
bonds (distance) P-C4' energy: -145.753
flat angles C4'-P-C4' energy: -166.082
flat angles P-C4'-P energy: -110.603
tors. eta vs tors. theta energy: -190.934
Dist. restrs. and SS energy: 2.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -2121.760077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.760077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.943846 (E_RNA)
where:
Base-Base interactions energy: -1446.507
where: short stacking energy: -635.026
Base-Backbone interact. energy: -3.118
local terms energy: -675.318864
where:
bonds (distance) C4'-P energy: -134.007
bonds (distance) P-C4' energy: -136.203
flat angles C4'-P-C4' energy: -152.458
flat angles P-C4'-P energy: -94.817
tors. eta vs tors. theta energy: -157.834
Dist. restrs. and SS energy: 3.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -1983.382418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.382418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.275042 (E_RNA)
where:
Base-Base interactions energy: -1341.685
where: short stacking energy: -584.560
Base-Backbone interact. energy: -0.949
local terms energy: -644.640542
where:
bonds (distance) C4'-P energy: -142.897
bonds (distance) P-C4' energy: -133.013
flat angles C4'-P-C4' energy: -143.490
flat angles P-C4'-P energy: -68.388
tors. eta vs tors. theta energy: -156.852
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: 9, replica: 10
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -1957.272247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.272247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.395020 (E_RNA)
where:
Base-Base interactions energy: -1345.373
where: short stacking energy: -570.020
Base-Backbone interact. energy: -6.258
local terms energy: -607.764313
where:
bonds (distance) C4'-P energy: -96.301
bonds (distance) P-C4' energy: -145.661
flat angles C4'-P-C4' energy: -129.505
flat angles P-C4'-P energy: -90.035
tors. eta vs tors. theta energy: -146.262
Dist. restrs. and SS energy: 2.123 (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: 2
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -1841.278329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.278329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.816473 (E_RNA)
where:
Base-Base interactions energy: -1240.672
where: short stacking energy: -508.286
Base-Backbone interact. energy: -2.792
local terms energy: -601.352569
where:
bonds (distance) C4'-P energy: -130.990
bonds (distance) P-C4' energy: -129.715
flat angles C4'-P-C4' energy: -141.323
flat angles P-C4'-P energy: -82.421
tors. eta vs tors. theta energy: -116.904
Dist. restrs. and SS energy: 3.538 (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: 9
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -2979.039542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2979.039542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2980.763486 (E_RNA)
where:
Base-Base interactions energy: -2062.302
where: short stacking energy: -873.931
Base-Backbone interact. energy: -2.404
local terms energy: -916.057537
where:
bonds (distance) C4'-P energy: -155.108
bonds (distance) P-C4' energy: -167.291
flat angles C4'-P-C4' energy: -187.554
flat angles P-C4'-P energy: -127.728
tors. eta vs tors. theta energy: -278.376
Dist. restrs. and SS energy: 1.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -2868.641042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2868.641042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2869.904624 (E_RNA)
where:
Base-Base interactions energy: -2011.370
where: short stacking energy: -798.295
Base-Backbone interact. energy: -0.679
local terms energy: -857.855466
where:
bonds (distance) C4'-P energy: -165.265
bonds (distance) P-C4' energy: -144.759
flat angles C4'-P-C4' energy: -181.390
flat angles P-C4'-P energy: -127.810
tors. eta vs tors. theta energy: -238.632
Dist. restrs. and SS energy: 1.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -2809.254654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.254654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.554696 (E_RNA)
where:
Base-Base interactions energy: -1957.991
where: short stacking energy: -803.945
Base-Backbone interact. energy: -4.389
local terms energy: -848.174508
where:
bonds (distance) C4'-P energy: -152.935
bonds (distance) P-C4' energy: -158.408
flat angles C4'-P-C4' energy: -182.037
flat angles P-C4'-P energy: -116.608
tors. eta vs tors. theta energy: -238.187
Dist. restrs. and SS energy: 1.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -2584.374859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.374859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.660180 (E_RNA)
where:
Base-Base interactions energy: -1779.984
where: short stacking energy: -752.685
Base-Backbone interact. energy: -1.657
local terms energy: -805.019195
where:
bonds (distance) C4'-P energy: -170.706
bonds (distance) P-C4' energy: -149.514
flat angles C4'-P-C4' energy: -168.461
flat angles P-C4'-P energy: -106.188
tors. eta vs tors. theta energy: -210.150
Dist. restrs. and SS energy: 2.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -2376.111507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.111507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.347997 (E_RNA)
where:
Base-Base interactions energy: -1653.488
where: short stacking energy: -688.411
Base-Backbone interact. energy: 0.648
local terms energy: -724.508095
where:
bonds (distance) C4'-P energy: -138.772
bonds (distance) P-C4' energy: -150.287
flat angles C4'-P-C4' energy: -143.590
flat angles P-C4'-P energy: -82.519
tors. eta vs tors. theta energy: -209.340
Dist. restrs. and SS energy: 1.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -2273.753648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.753648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.436046 (E_RNA)
where:
Base-Base interactions energy: -1570.259
where: short stacking energy: -680.705
Base-Backbone interact. energy: -0.078
local terms energy: -705.099288
where:
bonds (distance) C4'-P energy: -121.709
bonds (distance) P-C4' energy: -137.817
flat angles C4'-P-C4' energy: -155.742
flat angles P-C4'-P energy: -94.690
tors. eta vs tors. theta energy: -195.141
Dist. restrs. and SS energy: 1.682 (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: 3
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -2140.049690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.049690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.260526 (E_RNA)
where:
Base-Base interactions energy: -1446.669
where: short stacking energy: -605.232
Base-Backbone interact. energy: -1.913
local terms energy: -694.678113
where:
bonds (distance) C4'-P energy: -126.257
bonds (distance) P-C4' energy: -143.365
flat angles C4'-P-C4' energy: -159.101
flat angles P-C4'-P energy: -91.479
tors. eta vs tors. theta energy: -174.476
Dist. restrs. and SS energy: 3.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -2040.250354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.250354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.605619 (E_RNA)
where:
Base-Base interactions energy: -1382.495
where: short stacking energy: -588.644
Base-Backbone interact. energy: -0.489
local terms energy: -659.621694
where:
bonds (distance) C4'-P energy: -123.960
bonds (distance) P-C4' energy: -135.291
flat angles C4'-P-C4' energy: -158.247
flat angles P-C4'-P energy: -95.719
tors. eta vs tors. theta energy: -146.403
Dist. restrs. and SS energy: 2.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -1944.223485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.223485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.793525 (E_RNA)
where:
Base-Base interactions energy: -1327.266
where: short stacking energy: -565.032
Base-Backbone interact. energy: 6.080
local terms energy: -625.607410
where:
bonds (distance) C4'-P energy: -124.962
bonds (distance) P-C4' energy: -132.171
flat angles C4'-P-C4' energy: -142.264
flat angles P-C4'-P energy: -100.735
tors. eta vs tors. theta energy: -125.475
Dist. restrs. and SS energy: 2.570 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -1831.985055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.985055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.022053 (E_RNA)
where:
Base-Base interactions energy: -1230.545
where: short stacking energy: -498.535
Base-Backbone interact. energy: -4.508
local terms energy: -601.969121
where:
bonds (distance) C4'-P energy: -125.947
bonds (distance) P-C4' energy: -125.347
flat angles C4'-P-C4' energy: -135.733
flat angles P-C4'-P energy: -77.250
tors. eta vs tors. theta energy: -137.692
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: 1, replica: 9
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -3033.338393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3033.338393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3034.480392 (E_RNA)
where:
Base-Base interactions energy: -2101.463
where: short stacking energy: -889.438
Base-Backbone interact. energy: -4.720
local terms energy: -928.297278
where:
bonds (distance) C4'-P energy: -172.201
bonds (distance) P-C4' energy: -162.572
flat angles C4'-P-C4' energy: -192.707
flat angles P-C4'-P energy: -126.766
tors. eta vs tors. theta energy: -274.051
Dist. restrs. and SS energy: 1.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -2837.625540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2837.625540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2839.872385 (E_RNA)
where:
Base-Base interactions energy: -1995.512
where: short stacking energy: -805.660
Base-Backbone interact. energy: -2.604
local terms energy: -841.757210
where:
bonds (distance) C4'-P energy: -144.755
bonds (distance) P-C4' energy: -154.071
flat angles C4'-P-C4' energy: -172.155
flat angles P-C4'-P energy: -129.881
tors. eta vs tors. theta energy: -240.896
Dist. restrs. and SS energy: 2.247 (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: 5
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -2778.219171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.219171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2780.757712 (E_RNA)
where:
Base-Base interactions energy: -1948.778
where: short stacking energy: -788.829
Base-Backbone interact. energy: 2.516
local terms energy: -834.495951
where:
bonds (distance) C4'-P energy: -139.700
bonds (distance) P-C4' energy: -168.271
flat angles C4'-P-C4' energy: -179.372
flat angles P-C4'-P energy: -108.734
tors. eta vs tors. theta energy: -238.419
Dist. restrs. and SS energy: 2.539 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -2522.264372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.264372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.039732 (E_RNA)
where:
Base-Base interactions energy: -1761.342
where: short stacking energy: -710.973
Base-Backbone interact. energy: -1.323
local terms energy: -761.374433
where:
bonds (distance) C4'-P energy: -137.068
bonds (distance) P-C4' energy: -159.248
flat angles C4'-P-C4' energy: -160.853
flat angles P-C4'-P energy: -112.524
tors. eta vs tors. theta energy: -191.681
Dist. restrs. and SS energy: 1.775 (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: 8
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -2432.968585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.968585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.313660 (E_RNA)
where:
Base-Base interactions energy: -1658.536
where: short stacking energy: -723.169
Base-Backbone interact. energy: -2.118
local terms energy: -773.660052
where:
bonds (distance) C4'-P energy: -143.915
bonds (distance) P-C4' energy: -151.666
flat angles C4'-P-C4' energy: -172.184
flat angles P-C4'-P energy: -105.730
tors. eta vs tors. theta energy: -200.164
Dist. restrs. and SS energy: 1.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -2316.304706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.304706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.595614 (E_RNA)
where:
Base-Base interactions energy: -1601.973
where: short stacking energy: -702.902
Base-Backbone interact. energy: 1.780
local terms energy: -718.402609
where:
bonds (distance) C4'-P energy: -130.226
bonds (distance) P-C4' energy: -127.146
flat angles C4'-P-C4' energy: -161.022
flat angles P-C4'-P energy: -106.484
tors. eta vs tors. theta energy: -193.524
Dist. restrs. and SS energy: 2.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -2089.765375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.765375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.398993 (E_RNA)
where:
Base-Base interactions energy: -1445.296
where: short stacking energy: -619.961
Base-Backbone interact. energy: 3.211
local terms energy: -651.313904
where:
bonds (distance) C4'-P energy: -137.906
bonds (distance) P-C4' energy: -112.483
flat angles C4'-P-C4' energy: -144.532
flat angles P-C4'-P energy: -102.270
tors. eta vs tors. theta energy: -154.123
Dist. restrs. and SS energy: 3.634 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -1969.033063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.033063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.560011 (E_RNA)
where:
Base-Base interactions energy: -1324.780
where: short stacking energy: -557.635
Base-Backbone interact. energy: -1.719
local terms energy: -644.060891
where:
bonds (distance) C4'-P energy: -118.124
bonds (distance) P-C4' energy: -121.422
flat angles C4'-P-C4' energy: -168.137
flat angles P-C4'-P energy: -96.299
tors. eta vs tors. theta energy: -140.080
Dist. restrs. and SS energy: 1.527 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -1927.621841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.621841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.969779 (E_RNA)
where:
Base-Base interactions energy: -1279.687
where: short stacking energy: -539.959
Base-Backbone interact. energy: 4.750
local terms energy: -655.033062
where:
bonds (distance) C4'-P energy: -139.932
bonds (distance) P-C4' energy: -137.509
flat angles C4'-P-C4' energy: -151.024
flat angles P-C4'-P energy: -83.183
tors. eta vs tors. theta energy: -143.384
Dist. restrs. and SS energy: 2.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -1874.466963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.466963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.060723 (E_RNA)
where:
Base-Base interactions energy: -1294.801
where: short stacking energy: -560.080
Base-Backbone interact. energy: 3.288
local terms energy: -586.547523
where:
bonds (distance) C4'-P energy: -118.991
bonds (distance) P-C4' energy: -123.976
flat angles C4'-P-C4' energy: -135.485
flat angles P-C4'-P energy: -86.123
tors. eta vs tors. theta energy: -121.972
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: 1, replica: 9
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -3008.240270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3008.240270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3009.132567 (E_RNA)
where:
Base-Base interactions energy: -2103.190
where: short stacking energy: -880.889
Base-Backbone interact. energy: -1.116
local terms energy: -904.826477
where:
bonds (distance) C4'-P energy: -151.110
bonds (distance) P-C4' energy: -173.187
flat angles C4'-P-C4' energy: -197.332
flat angles P-C4'-P energy: -125.718
tors. eta vs tors. theta energy: -257.480
Dist. restrs. and SS energy: 0.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -2854.344297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2854.344297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2857.887807 (E_RNA)
where:
Base-Base interactions energy: -1995.723
where: short stacking energy: -844.543
Base-Backbone interact. energy: 0.194
local terms energy: -862.358629
where:
bonds (distance) C4'-P energy: -151.007
bonds (distance) P-C4' energy: -156.629
flat angles C4'-P-C4' energy: -184.470
flat angles P-C4'-P energy: -134.228
tors. eta vs tors. theta energy: -236.025
Dist. restrs. and SS energy: 3.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -2798.200768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.200768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.979999 (E_RNA)
where:
Base-Base interactions energy: -1939.535
where: short stacking energy: -790.006
Base-Backbone interact. energy: 0.492
local terms energy: -859.937256
where:
bonds (distance) C4'-P energy: -154.200
bonds (distance) P-C4' energy: -170.820
flat angles C4'-P-C4' energy: -169.996
flat angles P-C4'-P energy: -122.707
tors. eta vs tors. theta energy: -242.214
Dist. restrs. and SS energy: 0.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -2612.909276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.909276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.341739 (E_RNA)
where:
Base-Base interactions energy: -1815.748
where: short stacking energy: -747.530
Base-Backbone interact. energy: 1.687
local terms energy: -800.281336
where:
bonds (distance) C4'-P energy: -132.844
bonds (distance) P-C4' energy: -166.702
flat angles C4'-P-C4' energy: -178.306
flat angles P-C4'-P energy: -112.612
tors. eta vs tors. theta energy: -209.818
Dist. restrs. and SS energy: 1.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -2454.871949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.871949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.836335 (E_RNA)
where:
Base-Base interactions energy: -1670.879
where: short stacking energy: -697.158
Base-Backbone interact. energy: -2.310
local terms energy: -783.647580
where:
bonds (distance) C4'-P energy: -152.716
bonds (distance) P-C4' energy: -146.460
flat angles C4'-P-C4' energy: -166.097
flat angles P-C4'-P energy: -108.721
tors. eta vs tors. theta energy: -209.653
Dist. restrs. and SS energy: 1.964 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -2336.989920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.989920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.852249 (E_RNA)
where:
Base-Base interactions energy: -1607.364
where: short stacking energy: -705.125
Base-Backbone interact. energy: 0.774
local terms energy: -733.262097
where:
bonds (distance) C4'-P energy: -138.432
bonds (distance) P-C4' energy: -133.883
flat angles C4'-P-C4' energy: -158.541
flat angles P-C4'-P energy: -111.823
tors. eta vs tors. theta energy: -190.583
Dist. restrs. and SS energy: 2.862 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -2118.206633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.206633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.682493 (E_RNA)
where:
Base-Base interactions energy: -1440.009
where: short stacking energy: -632.149
Base-Backbone interact. energy: 0.175
local terms energy: -680.847989
where:
bonds (distance) C4'-P energy: -135.852
bonds (distance) P-C4' energy: -131.720
flat angles C4'-P-C4' energy: -158.803
flat angles P-C4'-P energy: -94.822
tors. eta vs tors. theta energy: -159.651
Dist. restrs. and SS energy: 2.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -2008.381517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.381517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.756804 (E_RNA)
where:
Base-Base interactions energy: -1371.986
where: short stacking energy: -538.338
Base-Backbone interact. energy: -3.716
local terms energy: -634.054171
where:
bonds (distance) C4'-P energy: -117.420
bonds (distance) P-C4' energy: -137.645
flat angles C4'-P-C4' energy: -147.184
flat angles P-C4'-P energy: -89.710
tors. eta vs tors. theta energy: -142.096
Dist. restrs. and SS energy: 1.375 (S_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: 451
Temperature: 1.300000
Total energy: -1954.104936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.104936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.623206 (E_RNA)
where:
Base-Base interactions energy: -1307.032
where: short stacking energy: -564.677
Base-Backbone interact. energy: -3.497
local terms energy: -646.093756
where:
bonds (distance) C4'-P energy: -101.744
bonds (distance) P-C4' energy: -149.429
flat angles C4'-P-C4' energy: -138.315
flat angles P-C4'-P energy: -87.185
tors. eta vs tors. theta energy: -169.420
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: 10, replica: 2
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -1867.015735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.015735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.999358 (E_RNA)
where:
Base-Base interactions energy: -1283.678
where: short stacking energy: -526.208
Base-Backbone interact. energy: -0.199
local terms energy: -585.122028
where:
bonds (distance) C4'-P energy: -108.577
bonds (distance) P-C4' energy: -135.700
flat angles C4'-P-C4' energy: -130.358
flat angles P-C4'-P energy: -79.684
tors. eta vs tors. theta energy: -130.803
Dist. restrs. and SS energy: 1.984 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -2983.713387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2983.713387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2984.770449 (E_RNA)
where:
Base-Base interactions energy: -2090.462
where: short stacking energy: -880.287
Base-Backbone interact. energy: -2.035
local terms energy: -892.273005
where:
bonds (distance) C4'-P energy: -173.020
bonds (distance) P-C4' energy: -139.421
flat angles C4'-P-C4' energy: -189.941
flat angles P-C4'-P energy: -127.017
tors. eta vs tors. theta energy: -262.875
Dist. restrs. and SS energy: 1.057 (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: 5
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -2826.161181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2826.161181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2828.123527 (E_RNA)
where:
Base-Base interactions energy: -1971.034
where: short stacking energy: -814.155
Base-Backbone interact. energy: -5.659
local terms energy: -851.429993
where:
bonds (distance) C4'-P energy: -159.490
bonds (distance) P-C4' energy: -158.453
flat angles C4'-P-C4' energy: -168.010
flat angles P-C4'-P energy: -120.792
tors. eta vs tors. theta energy: -244.686
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: 3, replica: 4
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -2661.102495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.102495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.594688 (E_RNA)
where:
Base-Base interactions energy: -1847.186
where: short stacking energy: -764.422
Base-Backbone interact. energy: 1.769
local terms energy: -817.178195
where:
bonds (distance) C4'-P energy: -157.295
bonds (distance) P-C4' energy: -143.932
flat angles C4'-P-C4' energy: -190.743
flat angles P-C4'-P energy: -111.800
tors. eta vs tors. theta energy: -213.408
Dist. restrs. and SS energy: 1.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -2734.949177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.949177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.290419 (E_RNA)
where:
Base-Base interactions energy: -1912.941
where: short stacking energy: -793.602
Base-Backbone interact. energy: -3.637
local terms energy: -819.713153
where:
bonds (distance) C4'-P energy: -163.020
bonds (distance) P-C4' energy: -134.754
flat angles C4'-P-C4' energy: -172.688
flat angles P-C4'-P energy: -114.953
tors. eta vs tors. theta energy: -234.298
Dist. restrs. and SS energy: 1.341 (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: 8
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -2426.935418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.935418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.727563 (E_RNA)
where:
Base-Base interactions energy: -1650.570
where: short stacking energy: -688.080
Base-Backbone interact. energy: 0.680
local terms energy: -777.837826
where:
bonds (distance) C4'-P energy: -137.401
bonds (distance) P-C4' energy: -156.353
flat angles C4'-P-C4' energy: -160.944
flat angles P-C4'-P energy: -111.888
tors. eta vs tors. theta energy: -211.251
Dist. restrs. and SS energy: 0.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -2275.063347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.063347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.312006 (E_RNA)
where:
Base-Base interactions energy: -1573.120
where: short stacking energy: -679.948
Base-Backbone interact. energy: 3.546
local terms energy: -707.738506
where:
bonds (distance) C4'-P energy: -133.741
bonds (distance) P-C4' energy: -123.584
flat angles C4'-P-C4' energy: -168.914
flat angles P-C4'-P energy: -103.518
tors. eta vs tors. theta energy: -177.983
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: 7, replica: 3
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -2110.418966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.418966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.910069 (E_RNA)
where:
Base-Base interactions energy: -1431.159
where: short stacking energy: -624.035
Base-Backbone interact. energy: -3.934
local terms energy: -677.817232
where:
bonds (distance) C4'-P energy: -130.795
bonds (distance) P-C4' energy: -136.091
flat angles C4'-P-C4' energy: -155.601
flat angles P-C4'-P energy: -88.431
tors. eta vs tors. theta energy: -166.899
Dist. restrs. and SS energy: 2.491 (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: 1
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -2006.420827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.420827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.970993 (E_RNA)
where:
Base-Base interactions energy: -1348.163
where: short stacking energy: -557.901
Base-Backbone interact. energy: 1.842
local terms energy: -662.649961
where:
bonds (distance) C4'-P energy: -123.308
bonds (distance) P-C4' energy: -144.498
flat angles C4'-P-C4' energy: -148.411
flat angles P-C4'-P energy: -86.572
tors. eta vs tors. theta energy: -159.862
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: 9, replica: 10
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -1949.797665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.797665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.090833 (E_RNA)
where:
Base-Base interactions energy: -1340.491
where: short stacking energy: -562.845
Base-Backbone interact. energy: 4.459
local terms energy: -620.059251
where:
bonds (distance) C4'-P energy: -121.906
bonds (distance) P-C4' energy: -116.104
flat angles C4'-P-C4' energy: -144.694
flat angles P-C4'-P energy: -95.588
tors. eta vs tors. theta energy: -141.767
Dist. restrs. and SS energy: 6.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -1891.452355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.452355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.868836 (E_RNA)
where:
Base-Base interactions energy: -1279.412
where: short stacking energy: -544.146
Base-Backbone interact. energy: -0.526
local terms energy: -614.930304
where:
bonds (distance) C4'-P energy: -121.833
bonds (distance) P-C4' energy: -122.137
flat angles C4'-P-C4' energy: -140.556
flat angles P-C4'-P energy: -87.208
tors. eta vs tors. theta energy: -143.197
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: 1, replica: 9
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -3013.518819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3013.518819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3014.981362 (E_RNA)
where:
Base-Base interactions energy: -2097.304
where: short stacking energy: -879.275
Base-Backbone interact. energy: -2.660
local terms energy: -915.018145
where:
bonds (distance) C4'-P energy: -176.592
bonds (distance) P-C4' energy: -159.009
flat angles C4'-P-C4' energy: -183.921
flat angles P-C4'-P energy: -128.858
tors. eta vs tors. theta energy: -266.637
Dist. restrs. and SS energy: 1.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -2813.041042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.041042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2815.694032 (E_RNA)
where:
Base-Base interactions energy: -1961.717
where: short stacking energy: -808.856
Base-Backbone interact. energy: -3.375
local terms energy: -850.602703
where:
bonds (distance) C4'-P energy: -152.276
bonds (distance) P-C4' energy: -154.759
flat angles C4'-P-C4' energy: -181.100
flat angles P-C4'-P energy: -128.252
tors. eta vs tors. theta energy: -234.215
Dist. restrs. and SS energy: 2.653 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -2660.965441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.965441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.612866 (E_RNA)
where:
Base-Base interactions energy: -1879.300
where: short stacking energy: -756.054
Base-Backbone interact. energy: -0.653
local terms energy: -783.659663
where:
bonds (distance) C4'-P energy: -152.756
bonds (distance) P-C4' energy: -139.202
flat angles C4'-P-C4' energy: -171.960
flat angles P-C4'-P energy: -99.986
tors. eta vs tors. theta energy: -219.756
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: 4, replica: 7
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -2699.889560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.889560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.122973 (E_RNA)
where:
Base-Base interactions energy: -1906.427
where: short stacking energy: -748.940
Base-Backbone interact. energy: -0.101
local terms energy: -794.595417
where:
bonds (distance) C4'-P energy: -147.237
bonds (distance) P-C4' energy: -143.435
flat angles C4'-P-C4' energy: -189.677
flat angles P-C4'-P energy: -103.113
tors. eta vs tors. theta energy: -211.133
Dist. restrs. and SS energy: 1.233 (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: 8
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -2471.283167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.283167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.327844 (E_RNA)
where:
Base-Base interactions energy: -1676.989
where: short stacking energy: -698.175
Base-Backbone interact. energy: 3.453
local terms energy: -798.792126
where:
bonds (distance) C4'-P energy: -152.730
bonds (distance) P-C4' energy: -156.455
flat angles C4'-P-C4' energy: -186.143
flat angles P-C4'-P energy: -89.645
tors. eta vs tors. theta energy: -213.819
Dist. restrs. and SS energy: 1.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -2294.949519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.949519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.910063 (E_RNA)
where:
Base-Base interactions energy: -1529.206
where: short stacking energy: -668.822
Base-Backbone interact. energy: -1.747
local terms energy: -766.956312
where:
bonds (distance) C4'-P energy: -145.354
bonds (distance) P-C4' energy: -146.258
flat angles C4'-P-C4' energy: -159.110
flat angles P-C4'-P energy: -119.205
tors. eta vs tors. theta energy: -197.029
Dist. restrs. and SS energy: 2.961 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -2113.517423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.517423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.151480 (E_RNA)
where:
Base-Base interactions energy: -1454.512
where: short stacking energy: -624.836
Base-Backbone interact. energy: -1.059
local terms energy: -659.580209
where:
bonds (distance) C4'-P energy: -113.394
bonds (distance) P-C4' energy: -134.377
flat angles C4'-P-C4' energy: -138.029
flat angles P-C4'-P energy: -107.445
tors. eta vs tors. theta energy: -166.334
Dist. restrs. and SS energy: 1.634 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -2025.456821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.456821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.737416 (E_RNA)
where:
Base-Base interactions energy: -1356.642
where: short stacking energy: -575.621
Base-Backbone interact. energy: -1.617
local terms energy: -671.478851
where:
bonds (distance) C4'-P energy: -128.757
bonds (distance) P-C4' energy: -136.218
flat angles C4'-P-C4' energy: -159.328
flat angles P-C4'-P energy: -89.784
tors. eta vs tors. theta energy: -157.391
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: 9, replica: 10
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -1980.197419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.197419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.385863 (E_RNA)
where:
Base-Base interactions energy: -1311.360
where: short stacking energy: -591.320
Base-Backbone interact. energy: -3.453
local terms energy: -669.572786
where:
bonds (distance) C4'-P energy: -129.047
bonds (distance) P-C4' energy: -139.250
flat angles C4'-P-C4' energy: -149.511
flat angles P-C4'-P energy: -103.760
tors. eta vs tors. theta energy: -148.006
Dist. restrs. and SS energy: 4.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -1898.779402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.779402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.838230 (E_RNA)
where:
Base-Base interactions energy: -1304.665
where: short stacking energy: -552.474
Base-Backbone interact. energy: 4.306
local terms energy: -602.479605
where:
bonds (distance) C4'-P energy: -142.011
bonds (distance) P-C4' energy: -114.192
flat angles C4'-P-C4' energy: -137.603
flat angles P-C4'-P energy: -67.712
tors. eta vs tors. theta energy: -140.961
Dist. restrs. and SS energy: 4.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -2984.890396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2984.890396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2985.851768 (E_RNA)
where:
Base-Base interactions energy: -2102.893
where: short stacking energy: -879.600
Base-Backbone interact. energy: -4.784
local terms energy: -878.174440
where:
bonds (distance) C4'-P energy: -152.349
bonds (distance) P-C4' energy: -158.356
flat angles C4'-P-C4' energy: -192.499
flat angles P-C4'-P energy: -115.738
tors. eta vs tors. theta energy: -259.232
Dist. restrs. and SS energy: 0.961 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -2830.325703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2830.325703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2832.247681 (E_RNA)
where:
Base-Base interactions energy: -1990.936
where: short stacking energy: -838.578
Base-Backbone interact. energy: -1.773
local terms energy: -839.538193
where:
bonds (distance) C4'-P energy: -156.097
bonds (distance) P-C4' energy: -156.258
flat angles C4'-P-C4' energy: -172.480
flat angles P-C4'-P energy: -107.008
tors. eta vs tors. theta energy: -247.696
Dist. restrs. and SS energy: 1.922 (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: 7
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -2762.090412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.090412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2763.321231 (E_RNA)
where:
Base-Base interactions energy: -1933.450
where: short stacking energy: -786.576
Base-Backbone interact. energy: -7.628
local terms energy: -822.243836
where:
bonds (distance) C4'-P energy: -162.014
bonds (distance) P-C4' energy: -149.922
flat angles C4'-P-C4' energy: -175.163
flat angles P-C4'-P energy: -95.967
tors. eta vs tors. theta energy: -239.178
Dist. restrs. and SS energy: 1.231 (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: 4
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -2637.854158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.854158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.407240 (E_RNA)
where:
Base-Base interactions energy: -1850.665
where: short stacking energy: -759.388
Base-Backbone interact. energy: -1.291
local terms energy: -787.451328
where:
bonds (distance) C4'-P energy: -138.513
bonds (distance) P-C4' energy: -148.057
flat angles C4'-P-C4' energy: -170.953
flat angles P-C4'-P energy: -115.460
tors. eta vs tors. theta energy: -214.468
Dist. restrs. and SS energy: 1.553 (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: 8
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -2434.019531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.019531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.174294 (E_RNA)
where:
Base-Base interactions energy: -1647.538
where: short stacking energy: -668.026
Base-Backbone interact. energy: 0.999
local terms energy: -789.635376
where:
bonds (distance) C4'-P energy: -155.505
bonds (distance) P-C4' energy: -157.457
flat angles C4'-P-C4' energy: -167.773
flat angles P-C4'-P energy: -111.279
tors. eta vs tors. theta energy: -197.621
Dist. restrs. and SS energy: 2.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -2290.843254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.843254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.565019 (E_RNA)
where:
Base-Base interactions energy: -1548.673
where: short stacking energy: -672.830
Base-Backbone interact. energy: -2.674
local terms energy: -741.218105
where:
bonds (distance) C4'-P energy: -160.910
bonds (distance) P-C4' energy: -118.398
flat angles C4'-P-C4' energy: -166.968
flat angles P-C4'-P energy: -102.680
tors. eta vs tors. theta energy: -192.262
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: 7, replica: 1
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -2081.445227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.445227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.089015 (E_RNA)
where:
Base-Base interactions energy: -1415.921
where: short stacking energy: -608.250
Base-Backbone interact. energy: 0.784
local terms energy: -667.952438
where:
bonds (distance) C4'-P energy: -132.378
bonds (distance) P-C4' energy: -138.520
flat angles C4'-P-C4' energy: -149.412
flat angles P-C4'-P energy: -93.549
tors. eta vs tors. theta energy: -154.094
Dist. restrs. and SS energy: 1.644 (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: 3
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -2045.925676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.925676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.307708 (E_RNA)
where:
Base-Base interactions energy: -1378.756
where: short stacking energy: -597.786
Base-Backbone interact. energy: -3.194
local terms energy: -666.357999
where:
bonds (distance) C4'-P energy: -122.279
bonds (distance) P-C4' energy: -130.057
flat angles C4'-P-C4' energy: -140.045
flat angles P-C4'-P energy: -99.105
tors. eta vs tors. theta energy: -174.872
Dist. restrs. and SS energy: 2.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -1979.177815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.177815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.465680 (E_RNA)
where:
Base-Base interactions energy: -1321.618
where: short stacking energy: -532.001
Base-Backbone interact. energy: 2.359
local terms energy: -662.207260
where:
bonds (distance) C4'-P energy: -134.300
bonds (distance) P-C4' energy: -145.398
flat angles C4'-P-C4' energy: -139.331
flat angles P-C4'-P energy: -98.286
tors. eta vs tors. theta energy: -144.893
Dist. restrs. and SS energy: 2.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -1845.442238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.442238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.688777 (E_RNA)
where:
Base-Base interactions energy: -1261.575
where: short stacking energy: -535.881
Base-Backbone interact. energy: 3.653
local terms energy: -591.767111
where:
bonds (distance) C4'-P energy: -117.073
bonds (distance) P-C4' energy: -130.075
flat angles C4'-P-C4' energy: -122.326
flat angles P-C4'-P energy: -93.039
tors. eta vs tors. theta energy: -129.254
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: 1, replica: 9
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -3012.538130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3012.538130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3013.910477 (E_RNA)
where:
Base-Base interactions energy: -2110.558
where: short stacking energy: -891.207
Base-Backbone interact. energy: 2.296
local terms energy: -905.648730
where:
bonds (distance) C4'-P energy: -145.871
bonds (distance) P-C4' energy: -175.039
flat angles C4'-P-C4' energy: -186.949
flat angles P-C4'-P energy: -132.385
tors. eta vs tors. theta energy: -265.405
Dist. restrs. and SS energy: 1.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -2854.427202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2854.427202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2857.060279 (E_RNA)
where:
Base-Base interactions energy: -1961.692
where: short stacking energy: -817.303
Base-Backbone interact. energy: -7.281
local terms energy: -888.087469
where:
bonds (distance) C4'-P energy: -164.921
bonds (distance) P-C4' energy: -166.406
flat angles C4'-P-C4' energy: -182.886
flat angles P-C4'-P energy: -131.086
tors. eta vs tors. theta energy: -242.788
Dist. restrs. and SS energy: 2.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -2755.310035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.310035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.763276 (E_RNA)
where:
Base-Base interactions energy: -1931.430
where: short stacking energy: -790.821
Base-Backbone interact. energy: -1.263
local terms energy: -824.069885
where:
bonds (distance) C4'-P energy: -141.111
bonds (distance) P-C4' energy: -150.646
flat angles C4'-P-C4' energy: -172.748
flat angles P-C4'-P energy: -122.807
tors. eta vs tors. theta energy: -236.759
Dist. restrs. and SS energy: 1.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -2641.625146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.625146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.550392 (E_RNA)
where:
Base-Base interactions energy: -1859.516
where: short stacking energy: -755.688
Base-Backbone interact. energy: 10.130
local terms energy: -793.164374
where:
bonds (distance) C4'-P energy: -147.567
bonds (distance) P-C4' energy: -146.828
flat angles C4'-P-C4' energy: -171.352
flat angles P-C4'-P energy: -115.217
tors. eta vs tors. theta energy: -212.200
Dist. restrs. and SS energy: 0.925 (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: 8
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -2469.859864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.859864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.035114 (E_RNA)
where:
Base-Base interactions energy: -1684.930
where: short stacking energy: -720.035
Base-Backbone interact. energy: 3.528
local terms energy: -790.632556
where:
bonds (distance) C4'-P energy: -153.502
bonds (distance) P-C4' energy: -159.591
flat angles C4'-P-C4' energy: -169.290
flat angles P-C4'-P energy: -101.851
tors. eta vs tors. theta energy: -206.399
Dist. restrs. and SS energy: 2.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -2301.560527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.560527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.385153 (E_RNA)
where:
Base-Base interactions energy: -1592.655
where: short stacking energy: -670.521
Base-Backbone interact. energy: 5.666
local terms energy: -716.395821
where:
bonds (distance) C4'-P energy: -145.662
bonds (distance) P-C4' energy: -134.020
flat angles C4'-P-C4' energy: -167.636
flat angles P-C4'-P energy: -88.916
tors. eta vs tors. theta energy: -180.161
Dist. restrs. and SS energy: 1.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -2109.024839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.024839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.863796 (E_RNA)
where:
Base-Base interactions energy: -1438.299
where: short stacking energy: -612.682
Base-Backbone interact. energy: -1.574
local terms energy: -670.990527
where:
bonds (distance) C4'-P energy: -114.239
bonds (distance) P-C4' energy: -141.853
flat angles C4'-P-C4' energy: -162.422
flat angles P-C4'-P energy: -84.646
tors. eta vs tors. theta energy: -167.831
Dist. restrs. and SS energy: 1.839 (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: 3
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -2046.295166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.295166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.509550 (E_RNA)
where:
Base-Base interactions energy: -1403.469
where: short stacking energy: -600.574
Base-Backbone interact. energy: 0.012
local terms energy: -647.053517
where:
bonds (distance) C4'-P energy: -135.772
bonds (distance) P-C4' energy: -131.182
flat angles C4'-P-C4' energy: -140.414
flat angles P-C4'-P energy: -93.031
tors. eta vs tors. theta energy: -146.653
Dist. restrs. and SS energy: 4.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -1966.441941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.441941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.484932 (E_RNA)
where:
Base-Base interactions energy: -1310.286
where: short stacking energy: -560.383
Base-Backbone interact. energy: 0.138
local terms energy: -658.336283
where:
bonds (distance) C4'-P energy: -135.458
bonds (distance) P-C4' energy: -134.080
flat angles C4'-P-C4' energy: -143.035
flat angles P-C4'-P energy: -84.544
tors. eta vs tors. theta energy: -161.219
Dist. restrs. and SS energy: 2.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -1868.911139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.911139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.779841 (E_RNA)
where:
Base-Base interactions energy: -1256.794
where: short stacking energy: -527.720
Base-Backbone interact. energy: 0.584
local terms energy: -618.569319
where:
bonds (distance) C4'-P energy: -130.100
bonds (distance) P-C4' energy: -136.103
flat angles C4'-P-C4' energy: -131.519
flat angles P-C4'-P energy: -89.313
tors. eta vs tors. theta energy: -131.534
Dist. restrs. and SS energy: 5.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -2987.787487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2987.787487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2989.362593 (E_RNA)
where:
Base-Base interactions energy: -2077.712
where: short stacking energy: -872.185
Base-Backbone interact. energy: -0.222
local terms energy: -911.428912
where:
bonds (distance) C4'-P energy: -150.756
bonds (distance) P-C4' energy: -161.137
flat angles C4'-P-C4' energy: -194.941
flat angles P-C4'-P energy: -137.856
tors. eta vs tors. theta energy: -266.738
Dist. restrs. and SS energy: 1.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -2860.846258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2860.846258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2863.963078 (E_RNA)
where:
Base-Base interactions energy: -2008.223
where: short stacking energy: -842.518
Base-Backbone interact. energy: 3.386
local terms energy: -859.126103
where:
bonds (distance) C4'-P energy: -153.371
bonds (distance) P-C4' energy: -160.256
flat angles C4'-P-C4' energy: -191.608
flat angles P-C4'-P energy: -114.760
tors. eta vs tors. theta energy: -239.132
Dist. restrs. and SS energy: 3.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -2785.061957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.061957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2785.626336 (E_RNA)
where:
Base-Base interactions energy: -1956.003
where: short stacking energy: -795.258
Base-Backbone interact. energy: 1.765
local terms energy: -831.388662
where:
bonds (distance) C4'-P energy: -135.121
bonds (distance) P-C4' energy: -149.391
flat angles C4'-P-C4' energy: -173.163
flat angles P-C4'-P energy: -134.301
tors. eta vs tors. theta energy: -239.412
Dist. restrs. and SS energy: 0.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -2639.975669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.975669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.616889 (E_RNA)
where:
Base-Base interactions energy: -1837.444
where: short stacking energy: -754.469
Base-Backbone interact. energy: 1.912
local terms energy: -807.084792
where:
bonds (distance) C4'-P energy: -136.504
bonds (distance) P-C4' energy: -157.186
flat angles C4'-P-C4' energy: -178.767
flat angles P-C4'-P energy: -123.616
tors. eta vs tors. theta energy: -211.012
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: 5, replica: 8
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -2480.391120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.391120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.473547 (E_RNA)
where:
Base-Base interactions energy: -1680.758
where: short stacking energy: -714.730
Base-Backbone interact. energy: -2.608
local terms energy: -798.107680
where:
bonds (distance) C4'-P energy: -151.026
bonds (distance) P-C4' energy: -139.889
flat angles C4'-P-C4' energy: -184.103
flat angles P-C4'-P energy: -105.949
tors. eta vs tors. theta energy: -217.142
Dist. restrs. and SS energy: 1.082 (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: 6
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -2266.300692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.300692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.256810 (E_RNA)
where:
Base-Base interactions energy: -1520.883
where: short stacking energy: -648.200
Base-Backbone interact. energy: -2.213
local terms energy: -745.160829
where:
bonds (distance) C4'-P energy: -151.951
bonds (distance) P-C4' energy: -132.058
flat angles C4'-P-C4' energy: -171.753
flat angles P-C4'-P energy: -109.231
tors. eta vs tors. theta energy: -180.168
Dist. restrs. and SS energy: 1.956 (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: 3
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -2088.165626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.165626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.118506 (E_RNA)
where:
Base-Base interactions energy: -1423.870
where: short stacking energy: -636.224
Base-Backbone interact. energy: 1.603
local terms energy: -667.852061
where:
bonds (distance) C4'-P energy: -117.961
bonds (distance) P-C4' energy: -130.133
flat angles C4'-P-C4' energy: -165.849
flat angles P-C4'-P energy: -95.182
tors. eta vs tors. theta energy: -158.727
Dist. restrs. and SS energy: 1.953 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -2049.551219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.551219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.257107 (E_RNA)
where:
Base-Base interactions energy: -1414.764
where: short stacking energy: -606.104
Base-Backbone interact. energy: -2.733
local terms energy: -636.759434
where:
bonds (distance) C4'-P energy: -112.310
bonds (distance) P-C4' energy: -137.537
flat angles C4'-P-C4' energy: -149.328
flat angles P-C4'-P energy: -96.186
tors. eta vs tors. theta energy: -141.399
Dist. restrs. and SS energy: 4.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -1927.445997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.445997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.240575 (E_RNA)
where:
Base-Base interactions energy: -1323.268
where: short stacking energy: -568.148
Base-Backbone interact. energy: -1.509
local terms energy: -606.464261
where:
bonds (distance) C4'-P energy: -130.569
bonds (distance) P-C4' energy: -130.683
flat angles C4'-P-C4' energy: -129.852
flat angles P-C4'-P energy: -86.705
tors. eta vs tors. theta energy: -128.656
Dist. restrs. and SS energy: 3.795 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -1851.513524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.513524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.393463 (E_RNA)
where:
Base-Base interactions energy: -1233.255
where: short stacking energy: -502.923
Base-Backbone interact. energy: 2.148
local terms energy: -624.287062
where:
bonds (distance) C4'-P energy: -123.452
bonds (distance) P-C4' energy: -144.835
flat angles C4'-P-C4' energy: -134.117
flat angles P-C4'-P energy: -90.563
tors. eta vs tors. theta energy: -131.319
Dist. restrs. and SS energy: 3.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -3017.038310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3017.038310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3018.173876 (E_RNA)
where:
Base-Base interactions energy: -2125.334
where: short stacking energy: -898.587
Base-Backbone interact. energy: -2.221
local terms energy: -890.618095
where:
bonds (distance) C4'-P energy: -147.170
bonds (distance) P-C4' energy: -165.051
flat angles C4'-P-C4' energy: -178.992
flat angles P-C4'-P energy: -125.954
tors. eta vs tors. theta energy: -273.451
Dist. restrs. and SS energy: 1.136 (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: 5
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -2855.160911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2855.160911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2857.046399 (E_RNA)
where:
Base-Base interactions energy: -1980.113
where: short stacking energy: -837.758
Base-Backbone interact. energy: 2.317
local terms energy: -879.250560
where:
bonds (distance) C4'-P energy: -155.828
bonds (distance) P-C4' energy: -166.797
flat angles C4'-P-C4' energy: -188.952
flat angles P-C4'-P energy: -122.808
tors. eta vs tors. theta energy: -244.865
Dist. restrs. and SS energy: 1.885 (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: 7
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -2785.056476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.056476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.300328 (E_RNA)
where:
Base-Base interactions energy: -1947.566
where: short stacking energy: -810.468
Base-Backbone interact. energy: -0.275
local terms energy: -838.459298
where:
bonds (distance) C4'-P energy: -156.300
bonds (distance) P-C4' energy: -145.044
flat angles C4'-P-C4' energy: -184.512
flat angles P-C4'-P energy: -121.645
tors. eta vs tors. theta energy: -230.958
Dist. restrs. and SS energy: 1.244 (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: 4
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -2586.552534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.552534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.982362 (E_RNA)
where:
Base-Base interactions energy: -1816.383
where: short stacking energy: -725.080
Base-Backbone interact. energy: -1.051
local terms energy: -771.548750
where:
bonds (distance) C4'-P energy: -134.625
bonds (distance) P-C4' energy: -151.310
flat angles C4'-P-C4' energy: -175.942
flat angles P-C4'-P energy: -107.569
tors. eta vs tors. theta energy: -202.102
Dist. restrs. and SS energy: 2.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -2456.725560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.725560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.339734 (E_RNA)
where:
Base-Base interactions energy: -1696.972
where: short stacking energy: -717.516
Base-Backbone interact. energy: -1.396
local terms energy: -760.971858
where:
bonds (distance) C4'-P energy: -132.228
bonds (distance) P-C4' energy: -158.383
flat angles C4'-P-C4' energy: -171.675
flat angles P-C4'-P energy: -95.746
tors. eta vs tors. theta energy: -202.940
Dist. restrs. and SS energy: 2.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -2276.870133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.870133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.365448 (E_RNA)
where:
Base-Base interactions energy: -1533.266
where: short stacking energy: -645.279
Base-Backbone interact. energy: -0.817
local terms energy: -746.283175
where:
bonds (distance) C4'-P energy: -141.370
bonds (distance) P-C4' energy: -146.940
flat angles C4'-P-C4' energy: -161.667
flat angles P-C4'-P energy: -118.685
tors. eta vs tors. theta energy: -177.622
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: 7, replica: 3
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -2086.612786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.612786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.753376 (E_RNA)
where:
Base-Base interactions energy: -1428.436
where: short stacking energy: -605.011
Base-Backbone interact. energy: 2.230
local terms energy: -662.547134
where:
bonds (distance) C4'-P energy: -124.894
bonds (distance) P-C4' energy: -118.454
flat angles C4'-P-C4' energy: -156.571
flat angles P-C4'-P energy: -98.582
tors. eta vs tors. theta energy: -164.046
Dist. restrs. and SS energy: 2.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -2001.969764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.969764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.730290 (E_RNA)
where:
Base-Base interactions energy: -1315.776
where: short stacking energy: -580.869
Base-Backbone interact. energy: -1.005
local terms energy: -688.949176
where:
bonds (distance) C4'-P energy: -144.583
bonds (distance) P-C4' energy: -135.515
flat angles C4'-P-C4' energy: -156.856
flat angles P-C4'-P energy: -100.026
tors. eta vs tors. theta energy: -151.969
Dist. restrs. and SS energy: 3.761 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -1991.368769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.368769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.135178 (E_RNA)
where:
Base-Base interactions energy: -1338.369
where: short stacking energy: -564.461
Base-Backbone interact. energy: -4.370
local terms energy: -652.395570
where:
bonds (distance) C4'-P energy: -137.485
bonds (distance) P-C4' energy: -137.242
flat angles C4'-P-C4' energy: -145.927
flat angles P-C4'-P energy: -79.890
tors. eta vs tors. theta energy: -151.851
Dist. restrs. and SS energy: 3.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -1839.258509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.258509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.868283 (E_RNA)
where:
Base-Base interactions energy: -1278.143
where: short stacking energy: -514.117
Base-Backbone interact. energy: -0.595
local terms energy: -563.130022
where:
bonds (distance) C4'-P energy: -120.876
bonds (distance) P-C4' energy: -127.887
flat angles C4'-P-C4' energy: -125.668
flat angles P-C4'-P energy: -74.462
tors. eta vs tors. theta energy: -114.237
Dist. restrs. and SS energy: 2.610 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -3016.865813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3016.865813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3017.663996 (E_RNA)
where:
Base-Base interactions energy: -2120.440
where: short stacking energy: -884.876
Base-Backbone interact. energy: -0.803
local terms energy: -896.420147
where:
bonds (distance) C4'-P energy: -159.788
bonds (distance) P-C4' energy: -162.338
flat angles C4'-P-C4' energy: -184.546
flat angles P-C4'-P energy: -121.139
tors. eta vs tors. theta energy: -268.610
Dist. restrs. and SS energy: 0.798 (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: 5
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -2836.429869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2836.429869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2838.439670 (E_RNA)
where:
Base-Base interactions energy: -1970.227
where: short stacking energy: -834.643
Base-Backbone interact. energy: -2.250
local terms energy: -865.962562
where:
bonds (distance) C4'-P energy: -162.849
bonds (distance) P-C4' energy: -153.625
flat angles C4'-P-C4' energy: -180.136
flat angles P-C4'-P energy: -124.305
tors. eta vs tors. theta energy: -245.047
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: 3, replica: 7
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -2747.749320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2747.749320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.430535 (E_RNA)
where:
Base-Base interactions energy: -1932.222
where: short stacking energy: -802.643
Base-Backbone interact. energy: -0.671
local terms energy: -816.538101
where:
bonds (distance) C4'-P energy: -151.633
bonds (distance) P-C4' energy: -138.435
flat angles C4'-P-C4' energy: -181.728
flat angles P-C4'-P energy: -115.305
tors. eta vs tors. theta energy: -229.437
Dist. restrs. and SS energy: 1.681 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -2590.492177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.492177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.599985 (E_RNA)
where:
Base-Base interactions energy: -1823.429
where: short stacking energy: -719.025
Base-Backbone interact. energy: -4.909
local terms energy: -765.261596
where:
bonds (distance) C4'-P energy: -145.601
bonds (distance) P-C4' energy: -139.905
flat angles C4'-P-C4' energy: -167.359
flat angles P-C4'-P energy: -105.407
tors. eta vs tors. theta energy: -206.990
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: 5, replica: 8
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -2431.128956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.128956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.262273 (E_RNA)
where:
Base-Base interactions energy: -1655.125
where: short stacking energy: -686.270
Base-Backbone interact. energy: -2.527
local terms energy: -776.609684
where:
bonds (distance) C4'-P energy: -166.786
bonds (distance) P-C4' energy: -144.934
flat angles C4'-P-C4' energy: -160.815
flat angles P-C4'-P energy: -119.112
tors. eta vs tors. theta energy: -184.963
Dist. restrs. and SS energy: 3.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -2268.053746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.053746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.208830 (E_RNA)
where:
Base-Base interactions energy: -1508.428
where: short stacking energy: -651.250
Base-Backbone interact. energy: -0.198
local terms energy: -763.582379
where:
bonds (distance) C4'-P energy: -154.034
bonds (distance) P-C4' energy: -148.355
flat angles C4'-P-C4' energy: -155.334
flat angles P-C4'-P energy: -114.285
tors. eta vs tors. theta energy: -191.574
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: 7, replica: 3
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -2148.581652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.581652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.461024 (E_RNA)
where:
Base-Base interactions energy: -1439.906
where: short stacking energy: -604.716
Base-Backbone interact. energy: 1.129
local terms energy: -712.684167
where:
bonds (distance) C4'-P energy: -139.281
bonds (distance) P-C4' energy: -140.151
flat angles C4'-P-C4' energy: -165.266
flat angles P-C4'-P energy: -103.624
tors. eta vs tors. theta energy: -164.363
Dist. restrs. and SS energy: 2.879 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -2023.646567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.646567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.632528 (E_RNA)
where:
Base-Base interactions energy: -1345.718
where: short stacking energy: -560.215
Base-Backbone interact. energy: -3.217
local terms energy: -677.697506
where:
bonds (distance) C4'-P energy: -133.967
bonds (distance) P-C4' energy: -150.689
flat angles C4'-P-C4' energy: -163.126
flat angles P-C4'-P energy: -87.860
tors. eta vs tors. theta energy: -142.056
Dist. restrs. and SS energy: 2.986 (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: 10
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -1908.474391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.474391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.231885 (E_RNA)
where:
Base-Base interactions energy: -1299.800
where: short stacking energy: -507.958
Base-Backbone interact. energy: -0.228
local terms energy: -612.203873
where:
bonds (distance) C4'-P energy: -127.639
bonds (distance) P-C4' energy: -117.881
flat angles C4'-P-C4' energy: -148.172
flat angles P-C4'-P energy: -86.723
tors. eta vs tors. theta energy: -131.789
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: 10, replica: 2
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -1889.404675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.404675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.120726 (E_RNA)
where:
Base-Base interactions energy: -1290.237
where: short stacking energy: -536.029
Base-Backbone interact. energy: 2.143
local terms energy: -607.026977
where:
bonds (distance) C4'-P energy: -122.251
bonds (distance) P-C4' energy: -122.079
flat angles C4'-P-C4' energy: -147.033
flat angles P-C4'-P energy: -76.533
tors. eta vs tors. theta energy: -139.131
Dist. restrs. and SS energy: 5.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -2977.829775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2977.829775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2979.759640 (E_RNA)
where:
Base-Base interactions energy: -2059.963
where: short stacking energy: -868.342
Base-Backbone interact. energy: -2.836
local terms energy: -916.960306
where:
bonds (distance) C4'-P energy: -151.729
bonds (distance) P-C4' energy: -170.510
flat angles C4'-P-C4' energy: -187.115
flat angles P-C4'-P energy: -133.099
tors. eta vs tors. theta energy: -274.507
Dist. restrs. and SS energy: 1.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -2841.372762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2841.372762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2842.993925 (E_RNA)
where:
Base-Base interactions energy: -1974.934
where: short stacking energy: -833.232
Base-Backbone interact. energy: 0.491
local terms energy: -868.550962
where:
bonds (distance) C4'-P energy: -146.969
bonds (distance) P-C4' energy: -139.425
flat angles C4'-P-C4' energy: -193.726
flat angles P-C4'-P energy: -133.417
tors. eta vs tors. theta energy: -255.015
Dist. restrs. and SS energy: 1.621 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -2759.740091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.740091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.636141 (E_RNA)
where:
Base-Base interactions energy: -1941.727
where: short stacking energy: -778.950
Base-Backbone interact. energy: -1.777
local terms energy: -818.132296
where:
bonds (distance) C4'-P energy: -134.417
bonds (distance) P-C4' energy: -160.554
flat angles C4'-P-C4' energy: -184.186
flat angles P-C4'-P energy: -115.051
tors. eta vs tors. theta energy: -223.925
Dist. restrs. and SS energy: 1.896 (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: 4
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -2618.305200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.305200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.648999 (E_RNA)
where:
Base-Base interactions energy: -1815.183
where: short stacking energy: -731.909
Base-Backbone interact. energy: -4.118
local terms energy: -802.348916
where:
bonds (distance) C4'-P energy: -142.680
bonds (distance) P-C4' energy: -149.521
flat angles C4'-P-C4' energy: -180.871
flat angles P-C4'-P energy: -109.870
tors. eta vs tors. theta energy: -219.407
Dist. restrs. and SS energy: 3.344 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -2459.309899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.309899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.909232 (E_RNA)
where:
Base-Base interactions energy: -1709.713
where: short stacking energy: -701.947
Base-Backbone interact. energy: -1.870
local terms energy: -750.326332
where:
bonds (distance) C4'-P energy: -129.519
bonds (distance) P-C4' energy: -145.933
flat angles C4'-P-C4' energy: -157.173
flat angles P-C4'-P energy: -114.246
tors. eta vs tors. theta energy: -203.456
Dist. restrs. and SS energy: 2.599 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -2253.948796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.948796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.186010 (E_RNA)
where:
Base-Base interactions energy: -1528.174
where: short stacking energy: -643.319
Base-Backbone interact. energy: 1.818
local terms energy: -729.829920
where:
bonds (distance) C4'-P energy: -145.872
bonds (distance) P-C4' energy: -135.671
flat angles C4'-P-C4' energy: -164.535
flat angles P-C4'-P energy: -99.119
tors. eta vs tors. theta energy: -184.633
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: 7, replica: 3
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -2124.321233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.321233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.872560 (E_RNA)
where:
Base-Base interactions energy: -1437.425
where: short stacking energy: -626.253
Base-Backbone interact. energy: -2.169
local terms energy: -687.278410
where:
bonds (distance) C4'-P energy: -130.416
bonds (distance) P-C4' energy: -139.366
flat angles C4'-P-C4' energy: -157.698
flat angles P-C4'-P energy: -90.265
tors. eta vs tors. theta energy: -169.533
Dist. restrs. and SS energy: 2.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -2042.618526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.618526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.873626 (E_RNA)
where:
Base-Base interactions energy: -1383.037
where: short stacking energy: -583.305
Base-Backbone interact. energy: -1.966
local terms energy: -659.870741
where:
bonds (distance) C4'-P energy: -120.367
bonds (distance) P-C4' energy: -129.449
flat angles C4'-P-C4' energy: -158.971
flat angles P-C4'-P energy: -91.616
tors. eta vs tors. theta energy: -159.468
Dist. restrs. and SS energy: 2.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -1953.743000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.743000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.346298 (E_RNA)
where:
Base-Base interactions energy: -1281.322
where: short stacking energy: -566.006
Base-Backbone interact. energy: -2.892
local terms energy: -673.132025
where:
bonds (distance) C4'-P energy: -146.866
bonds (distance) P-C4' energy: -127.578
flat angles C4'-P-C4' energy: -151.880
flat angles P-C4'-P energy: -98.595
tors. eta vs tors. theta energy: -148.213
Dist. restrs. and SS energy: 3.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -1885.861049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.861049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.740844 (E_RNA)
where:
Base-Base interactions energy: -1280.499
where: short stacking energy: -549.346
Base-Backbone interact. energy: -0.501
local terms energy: -606.740835
where:
bonds (distance) C4'-P energy: -109.225
bonds (distance) P-C4' energy: -123.429
flat angles C4'-P-C4' energy: -132.472
flat angles P-C4'-P energy: -98.346
tors. eta vs tors. theta energy: -143.269
Dist. restrs. and SS energy: 1.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -3027.399845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3027.399845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3028.579236 (E_RNA)
where:
Base-Base interactions energy: -2114.282
where: short stacking energy: -881.262
Base-Backbone interact. energy: -4.487
local terms energy: -909.809821
where:
bonds (distance) C4'-P energy: -161.403
bonds (distance) P-C4' energy: -163.635
flat angles C4'-P-C4' energy: -184.633
flat angles P-C4'-P energy: -146.637
tors. eta vs tors. theta energy: -253.502
Dist. restrs. and SS energy: 1.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -2821.228684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.228684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2823.188449 (E_RNA)
where:
Base-Base interactions energy: -1959.528
where: short stacking energy: -809.837
Base-Backbone interact. energy: -1.467
local terms energy: -862.193530
where:
bonds (distance) C4'-P energy: -171.022
bonds (distance) P-C4' energy: -154.549
flat angles C4'-P-C4' energy: -177.993
flat angles P-C4'-P energy: -123.324
tors. eta vs tors. theta energy: -235.306
Dist. restrs. and SS energy: 1.960 (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: 7
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -2737.562595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.562595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.396701 (E_RNA)
where:
Base-Base interactions energy: -1904.864
where: short stacking energy: -762.045
Base-Backbone interact. energy: 3.760
local terms energy: -837.293008
where:
bonds (distance) C4'-P energy: -150.913
bonds (distance) P-C4' energy: -156.518
flat angles C4'-P-C4' energy: -193.717
flat angles P-C4'-P energy: -114.582
tors. eta vs tors. theta energy: -221.563
Dist. restrs. and SS energy: 0.834 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -2572.969562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.969562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.821782 (E_RNA)
where:
Base-Base interactions energy: -1794.830
where: short stacking energy: -734.333
Base-Backbone interact. energy: 5.315
local terms energy: -785.306629
where:
bonds (distance) C4'-P energy: -151.456
bonds (distance) P-C4' energy: -137.205
flat angles C4'-P-C4' energy: -167.772
flat angles P-C4'-P energy: -114.640
tors. eta vs tors. theta energy: -214.234
Dist. restrs. and SS energy: 1.852 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -2440.297263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.297263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.957975 (E_RNA)
where:
Base-Base interactions energy: -1647.466
where: short stacking energy: -725.118
Base-Backbone interact. energy: -1.683
local terms energy: -793.809131
where:
bonds (distance) C4'-P energy: -139.678
bonds (distance) P-C4' energy: -165.498
flat angles C4'-P-C4' energy: -174.915
flat angles P-C4'-P energy: -99.567
tors. eta vs tors. theta energy: -214.150
Dist. restrs. and SS energy: 2.661 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -2266.321850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.321850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.074087 (E_RNA)
where:
Base-Base interactions energy: -1557.825
where: short stacking energy: -649.431
Base-Backbone interact. energy: 7.162
local terms energy: -717.411648
where:
bonds (distance) C4'-P energy: -144.036
bonds (distance) P-C4' energy: -135.342
flat angles C4'-P-C4' energy: -159.438
flat angles P-C4'-P energy: -96.665
tors. eta vs tors. theta energy: -181.930
Dist. restrs. and SS energy: 1.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -2104.219833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.219833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.929100 (E_RNA)
where:
Base-Base interactions energy: -1430.344
where: short stacking energy: -601.759
Base-Backbone interact. energy: -1.839
local terms energy: -674.746168
where:
bonds (distance) C4'-P energy: -131.771
bonds (distance) P-C4' energy: -147.863
flat angles C4'-P-C4' energy: -144.744
flat angles P-C4'-P energy: -88.067
tors. eta vs tors. theta energy: -162.301
Dist. restrs. and SS energy: 2.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -2071.859736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.859736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.688044 (E_RNA)
where:
Base-Base interactions energy: -1432.404
where: short stacking energy: -615.820
Base-Backbone interact. energy: -2.910
local terms energy: -638.374042
where:
bonds (distance) C4'-P energy: -108.955
bonds (distance) P-C4' energy: -141.780
flat angles C4'-P-C4' energy: -149.753
flat angles P-C4'-P energy: -74.143
tors. eta vs tors. theta energy: -163.744
Dist. restrs. and SS energy: 1.828 (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: 10
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -1897.860036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.860036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.473965 (E_RNA)
where:
Base-Base interactions energy: -1309.383
where: short stacking energy: -533.713
Base-Backbone interact. energy: 0.788
local terms energy: -591.879149
where:
bonds (distance) C4'-P energy: -111.916
bonds (distance) P-C4' energy: -128.492
flat angles C4'-P-C4' energy: -138.345
flat angles P-C4'-P energy: -82.859
tors. eta vs tors. theta energy: -130.268
Dist. restrs. and SS energy: 2.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -1872.552472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.552472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.181530 (E_RNA)
where:
Base-Base interactions energy: -1250.476
where: short stacking energy: -505.468
Base-Backbone interact. energy: 0.646
local terms energy: -627.351699
where:
bonds (distance) C4'-P energy: -125.496
bonds (distance) P-C4' energy: -138.297
flat angles C4'-P-C4' energy: -152.521
flat angles P-C4'-P energy: -79.798
tors. eta vs tors. theta energy: -131.240
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: 1, replica: 9
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -2986.379611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2986.379611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2987.133460 (E_RNA)
where:
Base-Base interactions energy: -2086.548
where: short stacking energy: -830.790
Base-Backbone interact. energy: -4.195
local terms energy: -896.390201
where:
bonds (distance) C4'-P energy: -160.724
bonds (distance) P-C4' energy: -164.090
flat angles C4'-P-C4' energy: -189.048
flat angles P-C4'-P energy: -127.152
tors. eta vs tors. theta energy: -255.376
Dist. restrs. and SS energy: 0.754 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -2829.394979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2829.394979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2830.746635 (E_RNA)
where:
Base-Base interactions energy: -1969.512
where: short stacking energy: -815.599
Base-Backbone interact. energy: -0.143
local terms energy: -861.091482
where:
bonds (distance) C4'-P energy: -171.737
bonds (distance) P-C4' energy: -157.542
flat angles C4'-P-C4' energy: -184.457
flat angles P-C4'-P energy: -101.349
tors. eta vs tors. theta energy: -246.006
Dist. restrs. and SS energy: 1.352 (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: 7
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -2699.836100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.836100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.185801 (E_RNA)
where:
Base-Base interactions energy: -1869.456
where: short stacking energy: -766.262
Base-Backbone interact. energy: -2.837
local terms energy: -829.892879
where:
bonds (distance) C4'-P energy: -163.255
bonds (distance) P-C4' energy: -159.866
flat angles C4'-P-C4' energy: -166.057
flat angles P-C4'-P energy: -117.799
tors. eta vs tors. theta energy: -222.917
Dist. restrs. and SS energy: 2.350 (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: 4
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -2608.405154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.405154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.980862 (E_RNA)
where:
Base-Base interactions energy: -1795.174
where: short stacking energy: -748.266
Base-Backbone interact. energy: 2.511
local terms energy: -817.318349
where:
bonds (distance) C4'-P energy: -136.210
bonds (distance) P-C4' energy: -161.025
flat angles C4'-P-C4' energy: -182.247
flat angles P-C4'-P energy: -123.460
tors. eta vs tors. theta energy: -214.377
Dist. restrs. and SS energy: 1.576 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -2402.946018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.946018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.111658 (E_RNA)
where:
Base-Base interactions energy: -1655.799
where: short stacking energy: -698.823
Base-Backbone interact. energy: 2.333
local terms energy: -751.645424
where:
bonds (distance) C4'-P energy: -147.527
bonds (distance) P-C4' energy: -136.634
flat angles C4'-P-C4' energy: -181.343
flat angles P-C4'-P energy: -83.843
tors. eta vs tors. theta energy: -202.299
Dist. restrs. and SS energy: 2.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -2277.976690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.976690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.109935 (E_RNA)
where:
Base-Base interactions energy: -1526.385
where: short stacking energy: -659.088
Base-Backbone interact. energy: 2.108
local terms energy: -755.833647
where:
bonds (distance) C4'-P energy: -127.080
bonds (distance) P-C4' energy: -158.436
flat angles C4'-P-C4' energy: -169.525
flat angles P-C4'-P energy: -106.623
tors. eta vs tors. theta energy: -194.169
Dist. restrs. and SS energy: 2.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -2111.559822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.559822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.415904 (E_RNA)
where:
Base-Base interactions energy: -1438.998
where: short stacking energy: -610.265
Base-Backbone interact. energy: -0.554
local terms energy: -673.864087
where:
bonds (distance) C4'-P energy: -136.560
bonds (distance) P-C4' energy: -146.201
flat angles C4'-P-C4' energy: -148.833
flat angles P-C4'-P energy: -95.700
tors. eta vs tors. theta energy: -146.570
Dist. restrs. and SS energy: 1.856 (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: 1
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -2043.149587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.149587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.265638 (E_RNA)
where:
Base-Base interactions energy: -1363.889
where: short stacking energy: -579.519
Base-Backbone interact. energy: -2.115
local terms energy: -679.261555
where:
bonds (distance) C4'-P energy: -149.357
bonds (distance) P-C4' energy: -146.695
flat angles C4'-P-C4' energy: -143.760
flat angles P-C4'-P energy: -90.679
tors. eta vs tors. theta energy: -148.770
Dist. restrs. and SS energy: 2.116 (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: 10
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -1947.536396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.536396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.447800 (E_RNA)
where:
Base-Base interactions energy: -1340.483
where: short stacking energy: -543.928
Base-Backbone interact. energy: 2.724
local terms energy: -611.689141
where:
bonds (distance) C4'-P energy: -129.492
bonds (distance) P-C4' energy: -140.175
flat angles C4'-P-C4' energy: -138.116
flat angles P-C4'-P energy: -83.130
tors. eta vs tors. theta energy: -120.776
Dist. restrs. and SS energy: 1.911 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -1850.828558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.828558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.656833 (E_RNA)
where:
Base-Base interactions energy: -1248.887
where: short stacking energy: -494.232
Base-Backbone interact. energy: 8.811
local terms energy: -613.581110
where:
bonds (distance) C4'-P energy: -128.290
bonds (distance) P-C4' energy: -141.349
flat angles C4'-P-C4' energy: -128.341
flat angles P-C4'-P energy: -98.361
tors. eta vs tors. theta energy: -117.242
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: 1, replica: 9
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -2970.809460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2970.809460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2972.328101 (E_RNA)
where:
Base-Base interactions energy: -2088.603
where: short stacking energy: -880.358
Base-Backbone interact. energy: -1.678
local terms energy: -882.047782
where:
bonds (distance) C4'-P energy: -164.161
bonds (distance) P-C4' energy: -161.041
flat angles C4'-P-C4' energy: -188.417
flat angles P-C4'-P energy: -116.154
tors. eta vs tors. theta energy: -252.275
Dist. restrs. and SS energy: 1.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -2826.846196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2826.846196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2828.802576 (E_RNA)
where:
Base-Base interactions energy: -1964.894
where: short stacking energy: -806.952
Base-Backbone interact. energy: -3.565
local terms energy: -860.343297
where:
bonds (distance) C4'-P energy: -157.808
bonds (distance) P-C4' energy: -155.125
flat angles C4'-P-C4' energy: -183.185
flat angles P-C4'-P energy: -126.751
tors. eta vs tors. theta energy: -237.474
Dist. restrs. and SS energy: 1.956 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -2782.503679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.503679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.242930 (E_RNA)
where:
Base-Base interactions energy: -1938.833
where: short stacking energy: -793.484
Base-Backbone interact. energy: -5.562
local terms energy: -839.848478
where:
bonds (distance) C4'-P energy: -164.590
bonds (distance) P-C4' energy: -139.744
flat angles C4'-P-C4' energy: -185.373
flat angles P-C4'-P energy: -112.560
tors. eta vs tors. theta energy: -237.582
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: 4
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -2646.657658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.657658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.629985 (E_RNA)
where:
Base-Base interactions energy: -1863.098
where: short stacking energy: -726.286
Base-Backbone interact. energy: 3.456
local terms energy: -787.988536
where:
bonds (distance) C4'-P energy: -133.685
bonds (distance) P-C4' energy: -154.635
flat angles C4'-P-C4' energy: -179.955
flat angles P-C4'-P energy: -113.165
tors. eta vs tors. theta energy: -206.549
Dist. restrs. and SS energy: 0.972 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -2421.956580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.956580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.158902 (E_RNA)
where:
Base-Base interactions energy: -1680.512
where: short stacking energy: -718.410
Base-Backbone interact. energy: -2.363
local terms energy: -741.284335
where:
bonds (distance) C4'-P energy: -128.734
bonds (distance) P-C4' energy: -144.137
flat angles C4'-P-C4' energy: -154.837
flat angles P-C4'-P energy: -104.479
tors. eta vs tors. theta energy: -209.097
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: 6, replica: 6
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -2251.166295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.166295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.444647 (E_RNA)
where:
Base-Base interactions energy: -1525.157
where: short stacking energy: -642.877
Base-Backbone interact. energy: -1.756
local terms energy: -726.532519
where:
bonds (distance) C4'-P energy: -136.473
bonds (distance) P-C4' energy: -149.334
flat angles C4'-P-C4' energy: -159.203
flat angles P-C4'-P energy: -111.765
tors. eta vs tors. theta energy: -169.758
Dist. restrs. and SS energy: 2.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -2137.411959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.411959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.141203 (E_RNA)
where:
Base-Base interactions energy: -1460.947
where: short stacking energy: -612.033
Base-Backbone interact. energy: -0.254
local terms energy: -677.939922
where:
bonds (distance) C4'-P energy: -130.833
bonds (distance) P-C4' energy: -125.133
flat angles C4'-P-C4' energy: -159.741
flat angles P-C4'-P energy: -103.922
tors. eta vs tors. theta energy: -158.310
Dist. restrs. and SS energy: 1.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -1992.249860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.249860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.782426 (E_RNA)
where:
Base-Base interactions energy: -1352.435
where: short stacking energy: -570.892
Base-Backbone interact. energy: -2.894
local terms energy: -638.453392
where:
bonds (distance) C4'-P energy: -128.092
bonds (distance) P-C4' energy: -140.273
flat angles C4'-P-C4' energy: -133.241
flat angles P-C4'-P energy: -93.205
tors. eta vs tors. theta energy: -143.642
Dist. restrs. and SS energy: 1.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -1935.542334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.542334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.101935 (E_RNA)
where:
Base-Base interactions energy: -1321.439
where: short stacking energy: -558.014
Base-Backbone interact. energy: 2.740
local terms energy: -621.402316
where:
bonds (distance) C4'-P energy: -127.048
bonds (distance) P-C4' energy: -129.135
flat angles C4'-P-C4' energy: -141.393
flat angles P-C4'-P energy: -89.437
tors. eta vs tors. theta energy: -134.389
Dist. restrs. and SS energy: 4.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -1878.925110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.925110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.456187 (E_RNA)
where:
Base-Base interactions energy: -1259.209
where: short stacking energy: -518.945
Base-Backbone interact. energy: -2.307
local terms energy: -620.940708
where:
bonds (distance) C4'-P energy: -135.016
bonds (distance) P-C4' energy: -118.386
flat angles C4'-P-C4' energy: -143.878
flat angles P-C4'-P energy: -96.779
tors. eta vs tors. theta energy: -126.883
Dist. restrs. and SS energy: 3.531 (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: 9
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -2992.825997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2992.825997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2994.007506 (E_RNA)
where:
Base-Base interactions energy: -2113.996
where: short stacking energy: -873.364
Base-Backbone interact. energy: -2.290
local terms energy: -877.721255
where:
bonds (distance) C4'-P energy: -142.968
bonds (distance) P-C4' energy: -156.747
flat angles C4'-P-C4' energy: -192.395
flat angles P-C4'-P energy: -125.826
tors. eta vs tors. theta energy: -259.785
Dist. restrs. and SS energy: 1.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -2805.574110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.574110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.330361 (E_RNA)
where:
Base-Base interactions energy: -1957.795
where: short stacking energy: -823.977
Base-Backbone interact. energy: 0.978
local terms energy: -849.513853
where:
bonds (distance) C4'-P energy: -143.102
bonds (distance) P-C4' energy: -167.773
flat angles C4'-P-C4' energy: -180.549
flat angles P-C4'-P energy: -111.466
tors. eta vs tors. theta energy: -246.625
Dist. restrs. and SS energy: 0.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -2756.315693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.315693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.074696 (E_RNA)
where:
Base-Base interactions energy: -1933.667
where: short stacking energy: -787.554
Base-Backbone interact. energy: 1.545
local terms energy: -825.952926
where:
bonds (distance) C4'-P energy: -159.384
bonds (distance) P-C4' energy: -144.883
flat angles C4'-P-C4' energy: -167.630
flat angles P-C4'-P energy: -126.104
tors. eta vs tors. theta energy: -227.953
Dist. restrs. and SS energy: 1.759 (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: 4
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -2622.799461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.799461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.884280 (E_RNA)
where:
Base-Base interactions energy: -1820.316
where: short stacking energy: -727.525
Base-Backbone interact. energy: 5.335
local terms energy: -808.902903
where:
bonds (distance) C4'-P energy: -143.799
bonds (distance) P-C4' energy: -163.023
flat angles C4'-P-C4' energy: -167.067
flat angles P-C4'-P energy: -132.979
tors. eta vs tors. theta energy: -202.036
Dist. restrs. and SS energy: 1.085 (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: 8
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -2396.689822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.689822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.468968 (E_RNA)
where:
Base-Base interactions energy: -1644.837
where: short stacking energy: -701.277
Base-Backbone interact. energy: 5.454
local terms energy: -759.086559
where:
bonds (distance) C4'-P energy: -125.247
bonds (distance) P-C4' energy: -156.613
flat angles C4'-P-C4' energy: -164.881
flat angles P-C4'-P energy: -107.484
tors. eta vs tors. theta energy: -204.861
Dist. restrs. and SS energy: 1.779 (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: 6
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -2312.746670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.746670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.924186 (E_RNA)
where:
Base-Base interactions energy: -1594.342
where: short stacking energy: -658.728
Base-Backbone interact. energy: 2.626
local terms energy: -723.208101
where:
bonds (distance) C4'-P energy: -148.835
bonds (distance) P-C4' energy: -144.655
flat angles C4'-P-C4' energy: -152.520
flat angles P-C4'-P energy: -95.027
tors. eta vs tors. theta energy: -182.171
Dist. restrs. and SS energy: 2.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -2130.997668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.997668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.893050 (E_RNA)
where:
Base-Base interactions energy: -1472.361
where: short stacking energy: -615.316
Base-Backbone interact. energy: 2.651
local terms energy: -666.183475
where:
bonds (distance) C4'-P energy: -131.222
bonds (distance) P-C4' energy: -136.216
flat angles C4'-P-C4' energy: -157.311
flat angles P-C4'-P energy: -72.117
tors. eta vs tors. theta energy: -169.318
Dist. restrs. and SS energy: 4.895 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -1956.563235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.563235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.757249 (E_RNA)
where:
Base-Base interactions energy: -1301.226
where: short stacking energy: -563.736
Base-Backbone interact. energy: -0.250
local terms energy: -657.281567
where:
bonds (distance) C4'-P energy: -123.092
bonds (distance) P-C4' energy: -144.449
flat angles C4'-P-C4' energy: -150.697
flat angles P-C4'-P energy: -96.317
tors. eta vs tors. theta energy: -142.727
Dist. restrs. and SS energy: 2.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -1926.360430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.360430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.959493 (E_RNA)
where:
Base-Base interactions energy: -1309.186
where: short stacking energy: -555.942
Base-Backbone interact. energy: 0.546
local terms energy: -620.319707
where:
bonds (distance) C4'-P energy: -125.941
bonds (distance) P-C4' energy: -130.876
flat angles C4'-P-C4' energy: -142.435
flat angles P-C4'-P energy: -87.840
tors. eta vs tors. theta energy: -133.228
Dist. restrs. and SS energy: 2.599 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -1820.522371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.522371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.441236 (E_RNA)
where:
Base-Base interactions energy: -1237.911
where: short stacking energy: -495.202
Base-Backbone interact. energy: 3.737
local terms energy: -590.267412
where:
bonds (distance) C4'-P energy: -108.083
bonds (distance) P-C4' energy: -132.664
flat angles C4'-P-C4' energy: -125.325
flat angles P-C4'-P energy: -96.390
tors. eta vs tors. theta energy: -127.805
Dist. restrs. and SS energy: 3.919 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -2988.438244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2988.438244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2989.752307 (E_RNA)
where:
Base-Base interactions energy: -2088.014
where: short stacking energy: -850.735
Base-Backbone interact. energy: -1.124
local terms energy: -900.614428
where:
bonds (distance) C4'-P energy: -168.827
bonds (distance) P-C4' energy: -159.263
flat angles C4'-P-C4' energy: -191.754
flat angles P-C4'-P energy: -118.102
tors. eta vs tors. theta energy: -262.669
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: 2, replica: 5
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -2840.843956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2840.843956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2842.904782 (E_RNA)
where:
Base-Base interactions energy: -1977.986
where: short stacking energy: -836.058
Base-Backbone interact. energy: -2.477
local terms energy: -862.442380
where:
bonds (distance) C4'-P energy: -148.707
bonds (distance) P-C4' energy: -151.054
flat angles C4'-P-C4' energy: -175.328
flat angles P-C4'-P energy: -123.907
tors. eta vs tors. theta energy: -263.447
Dist. restrs. and SS energy: 2.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -2799.497514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.497514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.117713 (E_RNA)
where:
Base-Base interactions energy: -1936.571
where: short stacking energy: -805.326
Base-Backbone interact. energy: 0.821
local terms energy: -865.367925
where:
bonds (distance) C4'-P energy: -150.239
bonds (distance) P-C4' energy: -158.790
flat angles C4'-P-C4' energy: -187.907
flat angles P-C4'-P energy: -129.659
tors. eta vs tors. theta energy: -238.773
Dist. restrs. and SS energy: 1.620 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -2581.010845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.010845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.486253 (E_RNA)
where:
Base-Base interactions energy: -1811.386
where: short stacking energy: -717.836
Base-Backbone interact. energy: -1.050
local terms energy: -771.050474
where:
bonds (distance) C4'-P energy: -139.972
bonds (distance) P-C4' energy: -153.699
flat angles C4'-P-C4' energy: -162.340
flat angles P-C4'-P energy: -114.213
tors. eta vs tors. theta energy: -200.825
Dist. restrs. and SS energy: 2.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -2398.860356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.860356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.755208 (E_RNA)
where:
Base-Base interactions energy: -1621.369
where: short stacking energy: -708.554
Base-Backbone interact. energy: 1.189
local terms energy: -781.575066
where:
bonds (distance) C4'-P energy: -142.384
bonds (distance) P-C4' energy: -159.106
flat angles C4'-P-C4' energy: -169.310
flat angles P-C4'-P energy: -108.301
tors. eta vs tors. theta energy: -202.475
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: 6, replica: 6
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -2307.582930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.582930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.707344 (E_RNA)
where:
Base-Base interactions energy: -1588.166
where: short stacking energy: -663.157
Base-Backbone interact. energy: 2.566
local terms energy: -724.106796
where:
bonds (distance) C4'-P energy: -113.952
bonds (distance) P-C4' energy: -141.109
flat angles C4'-P-C4' energy: -157.590
flat angles P-C4'-P energy: -102.752
tors. eta vs tors. theta energy: -208.704
Dist. restrs. and SS energy: 2.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -2102.882156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.882156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.391908 (E_RNA)
where:
Base-Base interactions energy: -1431.739
where: short stacking energy: -611.952
Base-Backbone interact. energy: -1.223
local terms energy: -672.429650
where:
bonds (distance) C4'-P energy: -148.676
bonds (distance) P-C4' energy: -130.679
flat angles C4'-P-C4' energy: -147.328
flat angles P-C4'-P energy: -88.139
tors. eta vs tors. theta energy: -157.609
Dist. restrs. and SS energy: 2.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -1990.960059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.960059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.835197 (E_RNA)
where:
Base-Base interactions energy: -1337.012
where: short stacking energy: -541.223
Base-Backbone interact. energy: 0.744
local terms energy: -657.566725
where:
bonds (distance) C4'-P energy: -115.312
bonds (distance) P-C4' energy: -138.796
flat angles C4'-P-C4' energy: -161.397
flat angles P-C4'-P energy: -100.259
tors. eta vs tors. theta energy: -141.803
Dist. restrs. and SS energy: 2.875 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -1941.307588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.307588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.404494 (E_RNA)
where:
Base-Base interactions energy: -1333.290
where: short stacking energy: -552.192
Base-Backbone interact. energy: -1.811
local terms energy: -610.304172
where:
bonds (distance) C4'-P energy: -115.687
bonds (distance) P-C4' energy: -108.975
flat angles C4'-P-C4' energy: -132.430
flat angles P-C4'-P energy: -112.128
tors. eta vs tors. theta energy: -141.084
Dist. restrs. and SS energy: 4.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -1894.194914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.194914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.132706 (E_RNA)
where:
Base-Base interactions energy: -1306.971
where: short stacking energy: -546.990
Base-Backbone interact. energy: -2.112
local terms energy: -588.049714
where:
bonds (distance) C4'-P energy: -86.653
bonds (distance) P-C4' energy: -137.925
flat angles C4'-P-C4' energy: -139.333
flat angles P-C4'-P energy: -88.874
tors. eta vs tors. theta energy: -135.265
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: 1, replica: 9
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -3026.077915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3026.077915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3027.403279 (E_RNA)
where:
Base-Base interactions energy: -2118.213
where: short stacking energy: -882.481
Base-Backbone interact. energy: 0.998
local terms energy: -910.188080
where:
bonds (distance) C4'-P energy: -165.418
bonds (distance) P-C4' energy: -166.592
flat angles C4'-P-C4' energy: -192.017
flat angles P-C4'-P energy: -124.288
tors. eta vs tors. theta energy: -261.873
Dist. restrs. and SS energy: 1.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -2877.688998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2877.688998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2879.123139 (E_RNA)
where:
Base-Base interactions energy: -1996.520
where: short stacking energy: -839.217
Base-Backbone interact. energy: -1.677
local terms energy: -880.925674
where:
bonds (distance) C4'-P energy: -138.665
bonds (distance) P-C4' energy: -161.357
flat angles C4'-P-C4' energy: -190.374
flat angles P-C4'-P energy: -133.845
tors. eta vs tors. theta energy: -256.684
Dist. restrs. and SS energy: 1.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -2752.433000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2752.433000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.375390 (E_RNA)
where:
Base-Base interactions energy: -1924.204
where: short stacking energy: -807.313
Base-Backbone interact. energy: -2.311
local terms energy: -826.859909
where:
bonds (distance) C4'-P energy: -145.108
bonds (distance) P-C4' energy: -147.876
flat angles C4'-P-C4' energy: -175.015
flat angles P-C4'-P energy: -128.655
tors. eta vs tors. theta energy: -230.206
Dist. restrs. and SS energy: 0.942 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -2575.096830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.096830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.739549 (E_RNA)
where:
Base-Base interactions energy: -1790.706
where: short stacking energy: -701.049
Base-Backbone interact. energy: -0.662
local terms energy: -785.371121
where:
bonds (distance) C4'-P energy: -131.162
bonds (distance) P-C4' energy: -166.550
flat angles C4'-P-C4' energy: -168.971
flat angles P-C4'-P energy: -118.917
tors. eta vs tors. theta energy: -199.772
Dist. restrs. and SS energy: 1.643 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -2459.317260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.317260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.046279 (E_RNA)
where:
Base-Base interactions energy: -1678.338
where: short stacking energy: -697.403
Base-Backbone interact. energy: 0.058
local terms energy: -783.766371
where:
bonds (distance) C4'-P energy: -140.873
bonds (distance) P-C4' energy: -158.943
flat angles C4'-P-C4' energy: -170.693
flat angles P-C4'-P energy: -112.791
tors. eta vs tors. theta energy: -200.466
Dist. restrs. and SS energy: 2.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -2319.510013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.510013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.828342 (E_RNA)
where:
Base-Base interactions energy: -1588.482
where: short stacking energy: -681.300
Base-Backbone interact. energy: -2.522
local terms energy: -732.823811
where:
bonds (distance) C4'-P energy: -143.027
bonds (distance) P-C4' energy: -134.515
flat angles C4'-P-C4' energy: -154.038
flat angles P-C4'-P energy: -109.098
tors. eta vs tors. theta energy: -192.147
Dist. restrs. and SS energy: 4.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -2120.086046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.086046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.530299 (E_RNA)
where:
Base-Base interactions energy: -1407.748
where: short stacking energy: -619.460
Base-Backbone interact. energy: 0.281
local terms energy: -716.063379
where:
bonds (distance) C4'-P energy: -135.181
bonds (distance) P-C4' energy: -147.345
flat angles C4'-P-C4' energy: -157.647
flat angles P-C4'-P energy: -101.285
tors. eta vs tors. theta energy: -174.605
Dist. restrs. and SS energy: 3.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -1978.171640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.171640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.424643 (E_RNA)
where:
Base-Base interactions energy: -1340.880
where: short stacking energy: -576.794
Base-Backbone interact. energy: 0.809
local terms energy: -640.353689
where:
bonds (distance) C4'-P energy: -134.628
bonds (distance) P-C4' energy: -126.717
flat angles C4'-P-C4' energy: -142.739
flat angles P-C4'-P energy: -93.093
tors. eta vs tors. theta energy: -143.177
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: 9, replica: 10
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -1992.968076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.968076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.829600 (E_RNA)
where:
Base-Base interactions energy: -1388.141
where: short stacking energy: -595.500
Base-Backbone interact. energy: 4.636
local terms energy: -611.325150
where:
bonds (distance) C4'-P energy: -97.642
bonds (distance) P-C4' energy: -105.846
flat angles C4'-P-C4' energy: -156.733
flat angles P-C4'-P energy: -106.137
tors. eta vs tors. theta energy: -144.968
Dist. restrs. and SS energy: 1.862 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -1894.793075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.793075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.167110 (E_RNA)
where:
Base-Base interactions energy: -1288.412
where: short stacking energy: -542.247
Base-Backbone interact. energy: 2.737
local terms energy: -611.492054
where:
bonds (distance) C4'-P energy: -142.418
bonds (distance) P-C4' energy: -125.250
flat angles C4'-P-C4' energy: -126.296
flat angles P-C4'-P energy: -90.633
tors. eta vs tors. theta energy: -126.896
Dist. restrs. and SS energy: 2.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -3010.799602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3010.799602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3012.380496 (E_RNA)
where:
Base-Base interactions energy: -2103.532
where: short stacking energy: -893.020
Base-Backbone interact. energy: 3.131
local terms energy: -911.979560
where:
bonds (distance) C4'-P energy: -154.679
bonds (distance) P-C4' energy: -161.820
flat angles C4'-P-C4' energy: -202.455
flat angles P-C4'-P energy: -128.029
tors. eta vs tors. theta energy: -264.996
Dist. restrs. and SS energy: 1.581 (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: 5
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -2844.474132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2844.474132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2846.237987 (E_RNA)
where:
Base-Base interactions energy: -1969.083
where: short stacking energy: -826.337
Base-Backbone interact. energy: -0.740
local terms energy: -876.415398
where:
bonds (distance) C4'-P energy: -154.488
bonds (distance) P-C4' energy: -143.644
flat angles C4'-P-C4' energy: -196.982
flat angles P-C4'-P energy: -133.788
tors. eta vs tors. theta energy: -247.513
Dist. restrs. and SS energy: 1.764 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -2741.010877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.010877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.384473 (E_RNA)
where:
Base-Base interactions energy: -1907.148
where: short stacking energy: -789.938
Base-Backbone interact. energy: -0.251
local terms energy: -834.985400
where:
bonds (distance) C4'-P energy: -140.788
bonds (distance) P-C4' energy: -170.711
flat angles C4'-P-C4' energy: -176.427
flat angles P-C4'-P energy: -112.642
tors. eta vs tors. theta energy: -234.417
Dist. restrs. and SS energy: 1.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -2575.968651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.968651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.421540 (E_RNA)
where:
Base-Base interactions energy: -1779.583
where: short stacking energy: -706.571
Base-Backbone interact. energy: -2.154
local terms energy: -796.684383
where:
bonds (distance) C4'-P energy: -152.300
bonds (distance) P-C4' energy: -162.147
flat angles C4'-P-C4' energy: -171.165
flat angles P-C4'-P energy: -107.810
tors. eta vs tors. theta energy: -203.262
Dist. restrs. and SS energy: 2.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -2470.129612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.129612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.374031 (E_RNA)
where:
Base-Base interactions energy: -1713.204
where: short stacking energy: -710.424
Base-Backbone interact. energy: -0.552
local terms energy: -759.617904
where:
bonds (distance) C4'-P energy: -131.287
bonds (distance) P-C4' energy: -154.896
flat angles C4'-P-C4' energy: -163.060
flat angles P-C4'-P energy: -106.248
tors. eta vs tors. theta energy: -204.126
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: 6, replica: 6
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -2346.822588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.822588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.157631 (E_RNA)
where:
Base-Base interactions energy: -1610.337
where: short stacking energy: -668.726
Base-Backbone interact. energy: 0.416
local terms energy: -739.236356
where:
bonds (distance) C4'-P energy: -142.804
bonds (distance) P-C4' energy: -147.642
flat angles C4'-P-C4' energy: -149.109
flat angles P-C4'-P energy: -98.118
tors. eta vs tors. theta energy: -201.562
Dist. restrs. and SS energy: 2.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -2118.928301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.928301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.076193 (E_RNA)
where:
Base-Base interactions energy: -1481.861
where: short stacking energy: -607.429
Base-Backbone interact. energy: -2.545
local terms energy: -636.671033
where:
bonds (distance) C4'-P energy: -115.980
bonds (distance) P-C4' energy: -140.110
flat angles C4'-P-C4' energy: -145.530
flat angles P-C4'-P energy: -78.403
tors. eta vs tors. theta energy: -156.649
Dist. restrs. and SS energy: 2.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -2029.789653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.789653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.103306 (E_RNA)
where:
Base-Base interactions energy: -1370.247
where: short stacking energy: -574.312
Base-Backbone interact. energy: -0.040
local terms energy: -661.816281
where:
bonds (distance) C4'-P energy: -131.264
bonds (distance) P-C4' energy: -137.578
flat angles C4'-P-C4' energy: -135.967
flat angles P-C4'-P energy: -104.762
tors. eta vs tors. theta energy: -152.246
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: 9, replica: 10
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -1986.772442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.772442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.192352 (E_RNA)
where:
Base-Base interactions energy: -1357.387
where: short stacking energy: -574.333
Base-Backbone interact. energy: 11.137
local terms energy: -642.941966
where:
bonds (distance) C4'-P energy: -127.253
bonds (distance) P-C4' energy: -127.660
flat angles C4'-P-C4' energy: -159.984
flat angles P-C4'-P energy: -86.957
tors. eta vs tors. theta energy: -141.088
Dist. restrs. and SS energy: 2.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -1859.217744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.217744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.172680 (E_RNA)
where:
Base-Base interactions energy: -1243.686
where: short stacking energy: -505.140
Base-Backbone interact. energy: -0.928
local terms energy: -616.558905
where:
bonds (distance) C4'-P energy: -134.242
bonds (distance) P-C4' energy: -132.059
flat angles C4'-P-C4' energy: -136.647
flat angles P-C4'-P energy: -88.894
tors. eta vs tors. theta energy: -124.716
Dist. restrs. and SS energy: 1.955 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -3012.059882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3012.059882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3013.286764 (E_RNA)
where:
Base-Base interactions energy: -2109.290
where: short stacking energy: -882.721
Base-Backbone interact. energy: -3.524
local terms energy: -900.472337
where:
bonds (distance) C4'-P energy: -157.936
bonds (distance) P-C4' energy: -163.900
flat angles C4'-P-C4' energy: -194.019
flat angles P-C4'-P energy: -120.119
tors. eta vs tors. theta energy: -264.499
Dist. restrs. and SS energy: 1.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -2881.391984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2881.391984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2883.545680 (E_RNA)
where:
Base-Base interactions energy: -2021.038
where: short stacking energy: -851.543
Base-Backbone interact. energy: 8.499
local terms energy: -871.006708
where:
bonds (distance) C4'-P energy: -161.974
bonds (distance) P-C4' energy: -156.941
flat angles C4'-P-C4' energy: -179.579
flat angles P-C4'-P energy: -123.013
tors. eta vs tors. theta energy: -249.500
Dist. restrs. and SS energy: 2.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -2763.538093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2763.538093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2765.034115 (E_RNA)
where:
Base-Base interactions energy: -1963.945
where: short stacking energy: -801.389
Base-Backbone interact. energy: 4.219
local terms energy: -805.308264
where:
bonds (distance) C4'-P energy: -140.377
bonds (distance) P-C4' energy: -137.426
flat angles C4'-P-C4' energy: -178.191
flat angles P-C4'-P energy: -125.913
tors. eta vs tors. theta energy: -223.401
Dist. restrs. and SS energy: 1.496 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -2558.345127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.345127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.595980 (E_RNA)
where:
Base-Base interactions energy: -1792.972
where: short stacking energy: -728.016
Base-Backbone interact. energy: 5.418
local terms energy: -776.041924
where:
bonds (distance) C4'-P energy: -138.398
bonds (distance) P-C4' energy: -167.908
flat angles C4'-P-C4' energy: -161.566
flat angles P-C4'-P energy: -109.367
tors. eta vs tors. theta energy: -198.803
Dist. restrs. and SS energy: 5.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -2421.712050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.712050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.857180 (E_RNA)
where:
Base-Base interactions energy: -1672.910
where: short stacking energy: -681.797
Base-Backbone interact. energy: 2.549
local terms energy: -754.496564
where:
bonds (distance) C4'-P energy: -135.560
bonds (distance) P-C4' energy: -136.887
flat angles C4'-P-C4' energy: -158.681
flat angles P-C4'-P energy: -120.143
tors. eta vs tors. theta energy: -203.225
Dist. restrs. and SS energy: 3.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -2309.796129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.796129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.603454 (E_RNA)
where:
Base-Base interactions energy: -1573.917
where: short stacking energy: -653.398
Base-Backbone interact. energy: 2.608
local terms energy: -740.294458
where:
bonds (distance) C4'-P energy: -137.623
bonds (distance) P-C4' energy: -161.762
flat angles C4'-P-C4' energy: -159.934
flat angles P-C4'-P energy: -104.126
tors. eta vs tors. theta energy: -176.850
Dist. restrs. and SS energy: 1.807 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -2136.973254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.973254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.370468 (E_RNA)
where:
Base-Base interactions energy: -1482.106
where: short stacking energy: -620.624
Base-Backbone interact. energy: -0.483
local terms energy: -656.781904
where:
bonds (distance) C4'-P energy: -125.392
bonds (distance) P-C4' energy: -121.085
flat angles C4'-P-C4' energy: -161.617
flat angles P-C4'-P energy: -91.355
tors. eta vs tors. theta energy: -157.333
Dist. restrs. and SS energy: 2.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -2044.787323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.787323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.408235 (E_RNA)
where:
Base-Base interactions energy: -1371.161
where: short stacking energy: -585.370
Base-Backbone interact. energy: -2.273
local terms energy: -673.974035
where:
bonds (distance) C4'-P energy: -140.977
bonds (distance) P-C4' energy: -123.345
flat angles C4'-P-C4' energy: -144.580
flat angles P-C4'-P energy: -102.181
tors. eta vs tors. theta energy: -162.891
Dist. restrs. and SS energy: 2.621 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -1954.981191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.981191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.026174 (E_RNA)
where:
Base-Base interactions energy: -1326.783
where: short stacking energy: -560.201
Base-Backbone interact. energy: 0.093
local terms energy: -631.336478
where:
bonds (distance) C4'-P energy: -133.904
bonds (distance) P-C4' energy: -118.907
flat angles C4'-P-C4' energy: -134.356
flat angles P-C4'-P energy: -89.654
tors. eta vs tors. theta energy: -154.515
Dist. restrs. and SS energy: 3.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -1865.902024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.902024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.189052 (E_RNA)
where:
Base-Base interactions energy: -1296.231
where: short stacking energy: -546.214
Base-Backbone interact. energy: 2.163
local terms energy: -575.121466
where:
bonds (distance) C4'-P energy: -128.195
bonds (distance) P-C4' energy: -110.910
flat angles C4'-P-C4' energy: -128.891
flat angles P-C4'-P energy: -73.246
tors. eta vs tors. theta energy: -133.880
Dist. restrs. and SS energy: 3.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -3001.908997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3001.908997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3003.246055 (E_RNA)
where:
Base-Base interactions energy: -2127.322
where: short stacking energy: -894.000
Base-Backbone interact. energy: 1.379
local terms energy: -877.303100
where:
bonds (distance) C4'-P energy: -154.024
bonds (distance) P-C4' energy: -165.722
flat angles C4'-P-C4' energy: -188.194
flat angles P-C4'-P energy: -111.788
tors. eta vs tors. theta energy: -257.576
Dist. restrs. and SS energy: 1.337 (S_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: 468
Temperature: 0.950000
Total energy: -2873.141157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2873.141157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2876.194440 (E_RNA)
where:
Base-Base interactions energy: -2005.220
where: short stacking energy: -838.318
Base-Backbone interact. energy: 6.715
local terms energy: -877.689528
where:
bonds (distance) C4'-P energy: -133.317
bonds (distance) P-C4' energy: -172.444
flat angles C4'-P-C4' energy: -181.096
flat angles P-C4'-P energy: -122.976
tors. eta vs tors. theta energy: -267.856
Dist. restrs. and SS energy: 3.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -2797.436580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.436580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.183468 (E_RNA)
where:
Base-Base interactions energy: -1949.206
where: short stacking energy: -764.221
Base-Backbone interact. energy: 2.234
local terms energy: -852.211299
where:
bonds (distance) C4'-P energy: -157.395
bonds (distance) P-C4' energy: -162.680
flat angles C4'-P-C4' energy: -164.428
flat angles P-C4'-P energy: -131.033
tors. eta vs tors. theta energy: -236.675
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: 4, replica: 4
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -2612.143544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.143544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.512206 (E_RNA)
where:
Base-Base interactions energy: -1830.595
where: short stacking energy: -733.437
Base-Backbone interact. energy: -3.760
local terms energy: -779.157626
where:
bonds (distance) C4'-P energy: -147.959
bonds (distance) P-C4' energy: -155.415
flat angles C4'-P-C4' energy: -169.533
flat angles P-C4'-P energy: -110.713
tors. eta vs tors. theta energy: -195.537
Dist. restrs. and SS energy: 1.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -2389.429526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.429526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.072014 (E_RNA)
where:
Base-Base interactions energy: -1643.115
where: short stacking energy: -702.700
Base-Backbone interact. energy: -0.240
local terms energy: -749.716908
where:
bonds (distance) C4'-P energy: -147.779
bonds (distance) P-C4' energy: -121.620
flat angles C4'-P-C4' energy: -171.472
flat angles P-C4'-P energy: -109.199
tors. eta vs tors. theta energy: -199.647
Dist. restrs. and SS energy: 3.642 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -2401.817319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.817319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.714873 (E_RNA)
where:
Base-Base interactions energy: -1663.618
where: short stacking energy: -689.979
Base-Backbone interact. energy: -3.840
local terms energy: -737.257098
where:
bonds (distance) C4'-P energy: -140.366
bonds (distance) P-C4' energy: -124.848
flat angles C4'-P-C4' energy: -163.113
flat angles P-C4'-P energy: -121.720
tors. eta vs tors. theta energy: -187.210
Dist. restrs. and SS energy: 2.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -2148.205027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.205027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.768988 (E_RNA)
where:
Base-Base interactions energy: -1469.819
where: short stacking energy: -625.185
Base-Backbone interact. energy: -1.086
local terms energy: -679.863568
where:
bonds (distance) C4'-P energy: -134.424
bonds (distance) P-C4' energy: -138.938
flat angles C4'-P-C4' energy: -144.373
flat angles P-C4'-P energy: -95.893
tors. eta vs tors. theta energy: -166.236
Dist. restrs. and SS energy: 2.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -2002.391292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.391292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.140504 (E_RNA)
where:
Base-Base interactions energy: -1356.487
where: short stacking energy: -569.852
Base-Backbone interact. energy: 1.606
local terms energy: -654.259649
where:
bonds (distance) C4'-P energy: -138.058
bonds (distance) P-C4' energy: -137.484
flat angles C4'-P-C4' energy: -146.980
flat angles P-C4'-P energy: -97.737
tors. eta vs tors. theta energy: -134.001
Dist. restrs. and SS energy: 6.749 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -1953.141485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.141485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.505039 (E_RNA)
where:
Base-Base interactions energy: -1309.148
where: short stacking energy: -551.596
Base-Backbone interact. energy: 9.465
local terms energy: -655.822109
where:
bonds (distance) C4'-P energy: -142.499
bonds (distance) P-C4' energy: -145.295
flat angles C4'-P-C4' energy: -138.103
flat angles P-C4'-P energy: -100.743
tors. eta vs tors. theta energy: -129.181
Dist. restrs. and SS energy: 2.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -1904.588056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.588056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.147387 (E_RNA)
where:
Base-Base interactions energy: -1298.183
where: short stacking energy: -550.749
Base-Backbone interact. energy: -4.118
local terms energy: -604.846936
where:
bonds (distance) C4'-P energy: -117.934
bonds (distance) P-C4' energy: -129.509
flat angles C4'-P-C4' energy: -143.428
flat angles P-C4'-P energy: -75.210
tors. eta vs tors. theta energy: -138.766
Dist. restrs. and SS energy: 2.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -3007.796519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3007.796519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3009.769638 (E_RNA)
where:
Base-Base interactions energy: -2091.917
where: short stacking energy: -875.092
Base-Backbone interact. energy: -2.883
local terms energy: -914.969717
where:
bonds (distance) C4'-P energy: -156.084
bonds (distance) P-C4' energy: -178.757
flat angles C4'-P-C4' energy: -188.652
flat angles P-C4'-P energy: -127.897
tors. eta vs tors. theta energy: -263.579
Dist. restrs. and SS energy: 1.973 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -2834.951388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2834.951388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2836.399181 (E_RNA)
where:
Base-Base interactions energy: -1945.565
where: short stacking energy: -829.899
Base-Backbone interact. energy: -1.881
local terms energy: -888.953707
where:
bonds (distance) C4'-P energy: -155.108
bonds (distance) P-C4' energy: -175.312
flat angles C4'-P-C4' energy: -181.427
flat angles P-C4'-P energy: -123.899
tors. eta vs tors. theta energy: -253.209
Dist. restrs. and SS energy: 1.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -2777.381779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.381779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.515865 (E_RNA)
where:
Base-Base interactions energy: -1953.263
where: short stacking energy: -803.868
Base-Backbone interact. energy: 0.127
local terms energy: -826.379253
where:
bonds (distance) C4'-P energy: -135.870
bonds (distance) P-C4' energy: -167.282
flat angles C4'-P-C4' energy: -168.876
flat angles P-C4'-P energy: -127.518
tors. eta vs tors. theta energy: -226.834
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: 4, replica: 4
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -2660.652583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.652583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.003547 (E_RNA)
where:
Base-Base interactions energy: -1866.231
where: short stacking energy: -755.182
Base-Backbone interact. energy: -3.643
local terms energy: -792.129034
where:
bonds (distance) C4'-P energy: -129.232
bonds (distance) P-C4' energy: -149.673
flat angles C4'-P-C4' energy: -176.020
flat angles P-C4'-P energy: -116.841
tors. eta vs tors. theta energy: -220.364
Dist. restrs. and SS energy: 1.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -2383.645437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.645437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.960661 (E_RNA)
where:
Base-Base interactions energy: -1640.031
where: short stacking energy: -700.789
Base-Backbone interact. energy: -1.550
local terms energy: -743.379838
where:
bonds (distance) C4'-P energy: -126.163
bonds (distance) P-C4' energy: -139.610
flat angles C4'-P-C4' energy: -155.186
flat angles P-C4'-P energy: -121.884
tors. eta vs tors. theta energy: -200.538
Dist. restrs. and SS energy: 1.315 (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: 8
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -2383.613757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.613757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.647431 (E_RNA)
where:
Base-Base interactions energy: -1631.334
where: short stacking energy: -662.683
Base-Backbone interact. energy: -4.815
local terms energy: -749.498735
where:
bonds (distance) C4'-P energy: -139.593
bonds (distance) P-C4' energy: -137.297
flat angles C4'-P-C4' energy: -161.268
flat angles P-C4'-P energy: -116.089
tors. eta vs tors. theta energy: -195.253
Dist. restrs. and SS energy: 2.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -2234.948917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.948917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.331177 (E_RNA)
where:
Base-Base interactions energy: -1529.544
where: short stacking energy: -663.851
Base-Backbone interact. energy: -0.606
local terms energy: -706.180764
where:
bonds (distance) C4'-P energy: -127.360
bonds (distance) P-C4' energy: -144.132
flat angles C4'-P-C4' energy: -163.541
flat angles P-C4'-P energy: -89.133
tors. eta vs tors. theta energy: -182.015
Dist. restrs. and SS energy: 1.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -1983.990042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.990042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.135751 (E_RNA)
where:
Base-Base interactions energy: -1325.203
where: short stacking energy: -574.610
Base-Backbone interact. energy: -2.787
local terms energy: -658.145258
where:
bonds (distance) C4'-P energy: -121.472
bonds (distance) P-C4' energy: -120.745
flat angles C4'-P-C4' energy: -171.078
flat angles P-C4'-P energy: -102.614
tors. eta vs tors. theta energy: -142.236
Dist. restrs. and SS energy: 2.146 (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: 10
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -1950.809560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.809560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.454876 (E_RNA)
where:
Base-Base interactions energy: -1326.016
where: short stacking energy: -550.804
Base-Backbone interact. energy: 1.345
local terms energy: -628.783928
where:
bonds (distance) C4'-P energy: -141.952
bonds (distance) P-C4' energy: -136.172
flat angles C4'-P-C4' energy: -120.792
flat angles P-C4'-P energy: -88.340
tors. eta vs tors. theta energy: -141.528
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: 10, replica: 2
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -1903.260542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.260542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.770151 (E_RNA)
where:
Base-Base interactions energy: -1295.722
where: short stacking energy: -536.926
Base-Backbone interact. energy: -0.742
local terms energy: -609.305322
where:
bonds (distance) C4'-P energy: -137.979
bonds (distance) P-C4' energy: -131.683
flat angles C4'-P-C4' energy: -133.455
flat angles P-C4'-P energy: -64.454
tors. eta vs tors. theta energy: -141.734
Dist. restrs. and SS energy: 2.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -3015.591416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3015.591416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3016.699461 (E_RNA)
where:
Base-Base interactions energy: -2113.013
where: short stacking energy: -875.756
Base-Backbone interact. energy: -0.477
local terms energy: -903.209430
where:
bonds (distance) C4'-P energy: -152.398
bonds (distance) P-C4' energy: -157.786
flat angles C4'-P-C4' energy: -191.657
flat angles P-C4'-P energy: -133.689
tors. eta vs tors. theta energy: -267.679
Dist. restrs. and SS energy: 1.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -2818.077965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.077965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2819.327132 (E_RNA)
where:
Base-Base interactions energy: -1938.154
where: short stacking energy: -810.361
Base-Backbone interact. energy: -3.033
local terms energy: -878.139660
where:
bonds (distance) C4'-P energy: -171.712
bonds (distance) P-C4' energy: -163.880
flat angles C4'-P-C4' energy: -173.552
flat angles P-C4'-P energy: -121.590
tors. eta vs tors. theta energy: -247.406
Dist. restrs. and SS energy: 1.249 (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: 7
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -2793.646944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.646944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.569971 (E_RNA)
where:
Base-Base interactions energy: -1943.187
where: short stacking energy: -782.124
Base-Backbone interact. energy: 0.923
local terms energy: -854.305142
where:
bonds (distance) C4'-P energy: -147.949
bonds (distance) P-C4' energy: -170.817
flat angles C4'-P-C4' energy: -190.571
flat angles P-C4'-P energy: -109.722
tors. eta vs tors. theta energy: -235.245
Dist. restrs. and SS energy: 2.923 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -2609.095879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.095879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.300975 (E_RNA)
where:
Base-Base interactions energy: -1827.785
where: short stacking energy: -738.501
Base-Backbone interact. energy: 5.602
local terms energy: -789.117419
where:
bonds (distance) C4'-P energy: -137.491
bonds (distance) P-C4' energy: -139.628
flat angles C4'-P-C4' energy: -173.756
flat angles P-C4'-P energy: -114.666
tors. eta vs tors. theta energy: -223.577
Dist. restrs. and SS energy: 2.205 (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: 6
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -2380.858217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.858217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.111545 (E_RNA)
where:
Base-Base interactions energy: -1638.218
where: short stacking energy: -694.153
Base-Backbone interact. energy: 5.825
local terms energy: -749.717913
where:
bonds (distance) C4'-P energy: -142.276
bonds (distance) P-C4' energy: -141.694
flat angles C4'-P-C4' energy: -170.857
flat angles P-C4'-P energy: -102.816
tors. eta vs tors. theta energy: -192.075
Dist. restrs. and SS energy: 1.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -2355.370141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.370141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.451118 (E_RNA)
where:
Base-Base interactions energy: -1604.741
where: short stacking energy: -679.702
Base-Backbone interact. energy: -0.716
local terms energy: -751.994014
where:
bonds (distance) C4'-P energy: -134.019
bonds (distance) P-C4' energy: -141.208
flat angles C4'-P-C4' energy: -166.732
flat angles P-C4'-P energy: -117.890
tors. eta vs tors. theta energy: -192.146
Dist. restrs. and SS energy: 2.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -2218.482152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.482152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.135202 (E_RNA)
where:
Base-Base interactions energy: -1498.382
where: short stacking energy: -642.247
Base-Backbone interact. energy: -3.529
local terms energy: -718.224405
where:
bonds (distance) C4'-P energy: -148.856
bonds (distance) P-C4' energy: -151.214
flat angles C4'-P-C4' energy: -156.086
flat angles P-C4'-P energy: -98.179
tors. eta vs tors. theta energy: -163.890
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: 8, replica: 1
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -2011.379642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.379642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.870579 (E_RNA)
where:
Base-Base interactions energy: -1355.818
where: short stacking energy: -572.889
Base-Backbone interact. energy: -3.257
local terms energy: -654.795960
where:
bonds (distance) C4'-P energy: -130.133
bonds (distance) P-C4' energy: -132.089
flat angles C4'-P-C4' energy: -131.770
flat angles P-C4'-P energy: -102.318
tors. eta vs tors. theta energy: -158.486
Dist. restrs. and SS energy: 2.491 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -1972.458499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.458499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.905946 (E_RNA)
where:
Base-Base interactions energy: -1336.807
where: short stacking energy: -599.733
Base-Backbone interact. energy: 5.626
local terms energy: -644.724908
where:
bonds (distance) C4'-P energy: -131.994
bonds (distance) P-C4' energy: -127.509
flat angles C4'-P-C4' energy: -147.995
flat angles P-C4'-P energy: -89.385
tors. eta vs tors. theta energy: -147.843
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: 10, replica: 10
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -1863.839392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.839392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.907608 (E_RNA)
where:
Base-Base interactions energy: -1261.226
where: short stacking energy: -505.921
Base-Backbone interact. energy: 0.692
local terms energy: -606.373588
where:
bonds (distance) C4'-P energy: -106.353
bonds (distance) P-C4' energy: -135.651
flat angles C4'-P-C4' energy: -149.424
flat angles P-C4'-P energy: -78.078
tors. eta vs tors. theta energy: -136.867
Dist. restrs. and SS energy: 3.068 (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: 9
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -3011.200691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3011.200691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3012.241744 (E_RNA)
where:
Base-Base interactions energy: -2095.978
where: short stacking energy: -887.663
Base-Backbone interact. energy: -2.375
local terms energy: -913.889537
where:
bonds (distance) C4'-P energy: -156.795
bonds (distance) P-C4' energy: -165.108
flat angles C4'-P-C4' energy: -195.230
flat angles P-C4'-P energy: -122.969
tors. eta vs tors. theta energy: -273.788
Dist. restrs. and SS energy: 1.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -2864.470128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2864.470128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2866.126908 (E_RNA)
where:
Base-Base interactions energy: -1989.189
where: short stacking energy: -820.968
Base-Backbone interact. energy: -4.414
local terms energy: -872.523114
where:
bonds (distance) C4'-P energy: -156.143
bonds (distance) P-C4' energy: -163.138
flat angles C4'-P-C4' energy: -193.335
flat angles P-C4'-P energy: -119.383
tors. eta vs tors. theta energy: -240.524
Dist. restrs. and SS energy: 1.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -2802.084682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.084682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.484081 (E_RNA)
where:
Base-Base interactions energy: -1939.385
where: short stacking energy: -803.981
Base-Backbone interact. energy: 1.334
local terms energy: -866.433062
where:
bonds (distance) C4'-P energy: -154.025
bonds (distance) P-C4' energy: -148.767
flat angles C4'-P-C4' energy: -184.746
flat angles P-C4'-P energy: -142.660
tors. eta vs tors. theta energy: -236.235
Dist. restrs. and SS energy: 2.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -2587.476753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.476753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.379936 (E_RNA)
where:
Base-Base interactions energy: -1817.173
where: short stacking energy: -716.004
Base-Backbone interact. energy: 2.042
local terms energy: -774.249183
where:
bonds (distance) C4'-P energy: -147.831
bonds (distance) P-C4' energy: -153.343
flat angles C4'-P-C4' energy: -155.562
flat angles P-C4'-P energy: -107.416
tors. eta vs tors. theta energy: -210.097
Dist. restrs. and SS energy: 1.903 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -2346.388426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.388426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.330609 (E_RNA)
where:
Base-Base interactions energy: -1599.501
where: short stacking energy: -691.180
Base-Backbone interact. energy: 1.250
local terms energy: -750.079433
where:
bonds (distance) C4'-P energy: -137.752
bonds (distance) P-C4' energy: -150.599
flat angles C4'-P-C4' energy: -158.724
flat angles P-C4'-P energy: -110.369
tors. eta vs tors. theta energy: -192.635
Dist. restrs. and SS energy: 1.942 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -2384.750082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.750082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.545258 (E_RNA)
where:
Base-Base interactions energy: -1625.656
where: short stacking energy: -691.410
Base-Backbone interact. energy: 0.628
local terms energy: -761.516501
where:
bonds (distance) C4'-P energy: -133.214
bonds (distance) P-C4' energy: -145.074
flat angles C4'-P-C4' energy: -166.533
flat angles P-C4'-P energy: -116.424
tors. eta vs tors. theta energy: -200.272
Dist. restrs. and SS energy: 1.795 (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: 3
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -2208.508775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.508775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.648723 (E_RNA)
where:
Base-Base interactions energy: -1515.466
where: short stacking energy: -623.076
Base-Backbone interact. energy: 1.028
local terms energy: -697.211073
where:
bonds (distance) C4'-P energy: -144.690
bonds (distance) P-C4' energy: -129.458
flat angles C4'-P-C4' energy: -162.937
flat angles P-C4'-P energy: -84.704
tors. eta vs tors. theta energy: -175.423
Dist. restrs. and SS energy: 3.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -2027.350954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.350954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.405294 (E_RNA)
where:
Base-Base interactions energy: -1356.390
where: short stacking energy: -599.707
Base-Backbone interact. energy: 3.833
local terms energy: -676.848051
where:
bonds (distance) C4'-P energy: -144.506
bonds (distance) P-C4' energy: -146.418
flat angles C4'-P-C4' energy: -144.051
flat angles P-C4'-P energy: -78.351
tors. eta vs tors. theta energy: -163.523
Dist. restrs. and SS energy: 2.054 (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: 2
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -1974.308879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.308879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.250201 (E_RNA)
where:
Base-Base interactions energy: -1349.640
where: short stacking energy: -564.606
Base-Backbone interact. energy: 1.815
local terms energy: -628.425246
where:
bonds (distance) C4'-P energy: -113.867
bonds (distance) P-C4' energy: -128.465
flat angles C4'-P-C4' energy: -150.202
flat angles P-C4'-P energy: -88.705
tors. eta vs tors. theta energy: -147.187
Dist. restrs. and SS energy: 1.941 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -1891.712792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.712792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.373353 (E_RNA)
where:
Base-Base interactions energy: -1313.285
where: short stacking energy: -539.405
Base-Backbone interact. energy: -0.532
local terms energy: -580.556426
where:
bonds (distance) C4'-P energy: -116.158
bonds (distance) P-C4' energy: -123.935
flat angles C4'-P-C4' energy: -133.495
flat angles P-C4'-P energy: -62.758
tors. eta vs tors. theta energy: -144.210
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: 1, replica: 9
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -3001.169543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3001.169543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3002.439494 (E_RNA)
where:
Base-Base interactions energy: -2091.849
where: short stacking energy: -860.778
Base-Backbone interact. energy: -2.497
local terms energy: -908.092972
where:
bonds (distance) C4'-P energy: -154.449
bonds (distance) P-C4' energy: -155.627
flat angles C4'-P-C4' energy: -207.335
flat angles P-C4'-P energy: -127.410
tors. eta vs tors. theta energy: -263.272
Dist. restrs. and SS energy: 1.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -2856.179979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2856.179979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2857.687526 (E_RNA)
where:
Base-Base interactions energy: -1999.638
where: short stacking energy: -855.309
Base-Backbone interact. energy: -2.740
local terms energy: -855.309797
where:
bonds (distance) C4'-P energy: -152.472
bonds (distance) P-C4' energy: -156.389
flat angles C4'-P-C4' energy: -177.071
flat angles P-C4'-P energy: -117.380
tors. eta vs tors. theta energy: -251.998
Dist. restrs. and SS energy: 1.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -2806.177090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.177090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.699251 (E_RNA)
where:
Base-Base interactions energy: -1967.643
where: short stacking energy: -813.090
Base-Backbone interact. energy: -0.900
local terms energy: -839.156142
where:
bonds (distance) C4'-P energy: -138.358
bonds (distance) P-C4' energy: -167.152
flat angles C4'-P-C4' energy: -188.432
flat angles P-C4'-P energy: -107.864
tors. eta vs tors. theta energy: -237.350
Dist. restrs. and SS energy: 1.522 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -2591.216307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.216307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.203686 (E_RNA)
where:
Base-Base interactions energy: -1827.342
where: short stacking energy: -751.167
Base-Backbone interact. energy: -1.031
local terms energy: -763.830687
where:
bonds (distance) C4'-P energy: -139.162
bonds (distance) P-C4' energy: -152.709
flat angles C4'-P-C4' energy: -160.616
flat angles P-C4'-P energy: -97.983
tors. eta vs tors. theta energy: -213.361
Dist. restrs. and SS energy: 0.987 (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: 472
Temperature: 1.100000
Total energy: -2425.543535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.543535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.201773 (E_RNA)
where:
Base-Base interactions energy: -1649.854
where: short stacking energy: -709.669
Base-Backbone interact. energy: -1.186
local terms energy: -777.161656
where:
bonds (distance) C4'-P energy: -163.843
bonds (distance) P-C4' energy: -141.482
flat angles C4'-P-C4' energy: -173.648
flat angles P-C4'-P energy: -102.318
tors. eta vs tors. theta energy: -195.871
Dist. restrs. and SS energy: 2.658 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -2390.456527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.456527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.807270 (E_RNA)
where:
Base-Base interactions energy: -1614.621
where: short stacking energy: -699.116
Base-Backbone interact. energy: 1.182
local terms energy: -779.367541
where:
bonds (distance) C4'-P energy: -135.615
bonds (distance) P-C4' energy: -157.644
flat angles C4'-P-C4' energy: -155.307
flat angles P-C4'-P energy: -121.999
tors. eta vs tors. theta energy: -208.802
Dist. restrs. and SS energy: 2.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -2177.024006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.024006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.509150 (E_RNA)
where:
Base-Base interactions energy: -1466.037
where: short stacking energy: -620.086
Base-Backbone interact. energy: -1.785
local terms energy: -712.687221
where:
bonds (distance) C4'-P energy: -135.036
bonds (distance) P-C4' energy: -143.125
flat angles C4'-P-C4' energy: -155.415
flat angles P-C4'-P energy: -103.397
tors. eta vs tors. theta energy: -175.715
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: 8, replica: 1
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -2045.702306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.702306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.935128 (E_RNA)
where:
Base-Base interactions energy: -1377.170
where: short stacking energy: -596.211
Base-Backbone interact. energy: 2.893
local terms energy: -674.658432
where:
bonds (distance) C4'-P energy: -146.808
bonds (distance) P-C4' energy: -151.186
flat angles C4'-P-C4' energy: -148.882
flat angles P-C4'-P energy: -77.831
tors. eta vs tors. theta energy: -149.951
Dist. restrs. and SS energy: 3.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -1930.563811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.563811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.068766 (E_RNA)
where:
Base-Base interactions energy: -1305.333
where: short stacking energy: -549.067
Base-Backbone interact. energy: -1.029
local terms energy: -627.706407
where:
bonds (distance) C4'-P energy: -129.529
bonds (distance) P-C4' energy: -150.544
flat angles C4'-P-C4' energy: -131.037
flat angles P-C4'-P energy: -70.122
tors. eta vs tors. theta energy: -146.474
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: 10, replica: 10
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -1881.800438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.800438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.823144 (E_RNA)
where:
Base-Base interactions energy: -1277.980
where: short stacking energy: -508.284
Base-Backbone interact. energy: -2.794
local terms energy: -608.049078
where:
bonds (distance) C4'-P energy: -111.506
bonds (distance) P-C4' energy: -152.239
flat angles C4'-P-C4' energy: -133.325
flat angles P-C4'-P energy: -96.766
tors. eta vs tors. theta energy: -114.213
Dist. restrs. and SS energy: 7.023 (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: 9
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -3026.140626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3026.140626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3027.692814 (E_RNA)
where:
Base-Base interactions energy: -2104.231
where: short stacking energy: -892.009
Base-Backbone interact. energy: 2.972
local terms energy: -926.433950
where:
bonds (distance) C4'-P energy: -184.171
bonds (distance) P-C4' energy: -157.755
flat angles C4'-P-C4' energy: -184.148
flat angles P-C4'-P energy: -127.501
tors. eta vs tors. theta energy: -272.858
Dist. restrs. and SS energy: 1.552 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -2850.180031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2850.180031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2850.808837 (E_RNA)
where:
Base-Base interactions energy: -2005.290
where: short stacking energy: -833.409
Base-Backbone interact. energy: -1.066
local terms energy: -844.453822
where:
bonds (distance) C4'-P energy: -149.287
bonds (distance) P-C4' energy: -159.179
flat angles C4'-P-C4' energy: -183.447
flat angles P-C4'-P energy: -106.810
tors. eta vs tors. theta energy: -245.731
Dist. restrs. and SS energy: 0.629 (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: 7
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -2787.491898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.491898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.946746 (E_RNA)
where:
Base-Base interactions energy: -1956.293
where: short stacking energy: -780.570
Base-Backbone interact. energy: -4.066
local terms energy: -828.587184
where:
bonds (distance) C4'-P energy: -137.309
bonds (distance) P-C4' energy: -161.486
flat angles C4'-P-C4' energy: -165.373
flat angles P-C4'-P energy: -126.425
tors. eta vs tors. theta energy: -237.994
Dist. restrs. and SS energy: 1.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -2600.610315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.610315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.208028 (E_RNA)
where:
Base-Base interactions energy: -1790.277
where: short stacking energy: -753.016
Base-Backbone interact. energy: 0.125
local terms energy: -812.055934
where:
bonds (distance) C4'-P energy: -149.574
bonds (distance) P-C4' energy: -157.449
flat angles C4'-P-C4' energy: -166.044
flat angles P-C4'-P energy: -124.998
tors. eta vs tors. theta energy: -213.990
Dist. restrs. and SS energy: 1.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -2439.676806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.676806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.956967 (E_RNA)
where:
Base-Base interactions energy: -1682.158
where: short stacking energy: -711.954
Base-Backbone interact. energy: -0.008
local terms energy: -759.791574
where:
bonds (distance) C4'-P energy: -134.997
bonds (distance) P-C4' energy: -146.156
flat angles C4'-P-C4' energy: -161.920
flat angles P-C4'-P energy: -97.054
tors. eta vs tors. theta energy: -219.664
Dist. restrs. and SS energy: 2.280 (S_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: 473
Temperature: 1.150000
Total energy: -2380.679224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.679224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.816332 (E_RNA)
where:
Base-Base interactions energy: -1670.218
where: short stacking energy: -703.831
Base-Backbone interact. energy: -3.292
local terms energy: -709.306239
where:
bonds (distance) C4'-P energy: -121.632
bonds (distance) P-C4' energy: -148.332
flat angles C4'-P-C4' energy: -159.777
flat angles P-C4'-P energy: -95.063
tors. eta vs tors. theta energy: -184.502
Dist. restrs. and SS energy: 2.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -2153.941152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.941152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.378195 (E_RNA)
where:
Base-Base interactions energy: -1508.259
where: short stacking energy: -633.576
Base-Backbone interact. energy: 2.997
local terms energy: -651.115528
where:
bonds (distance) C4'-P energy: -140.978
bonds (distance) P-C4' energy: -115.400
flat angles C4'-P-C4' energy: -143.782
flat angles P-C4'-P energy: -90.651
tors. eta vs tors. theta energy: -160.304
Dist. restrs. and SS energy: 2.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -2023.065679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.065679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.801350 (E_RNA)
where:
Base-Base interactions energy: -1370.345
where: short stacking energy: -601.417
Base-Backbone interact. energy: -1.536
local terms energy: -652.920200
where:
bonds (distance) C4'-P energy: -130.633
bonds (distance) P-C4' energy: -127.259
flat angles C4'-P-C4' energy: -156.637
flat angles P-C4'-P energy: -85.481
tors. eta vs tors. theta energy: -152.910
Dist. restrs. and SS energy: 1.736 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -1908.598687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.598687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.163733 (E_RNA)
where:
Base-Base interactions energy: -1269.622
where: short stacking energy: -539.798
Base-Backbone interact. energy: 1.901
local terms energy: -643.443163
where:
bonds (distance) C4'-P energy: -132.730
bonds (distance) P-C4' energy: -141.397
flat angles C4'-P-C4' energy: -145.404
flat angles P-C4'-P energy: -88.192
tors. eta vs tors. theta energy: -135.721
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: 10, replica: 10
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -1856.801624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.801624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.371256 (E_RNA)
where:
Base-Base interactions energy: -1282.965
where: short stacking energy: -531.469
Base-Backbone interact. energy: 1.804
local terms energy: -577.210544
where:
bonds (distance) C4'-P energy: -95.992
bonds (distance) P-C4' energy: -131.325
flat angles C4'-P-C4' energy: -138.215
flat angles P-C4'-P energy: -99.765
tors. eta vs tors. theta energy: -111.913
Dist. restrs. and SS energy: 1.570 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -2991.514698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2991.514698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2992.618094 (E_RNA)
where:
Base-Base interactions energy: -2081.981
where: short stacking energy: -901.197
Base-Backbone interact. energy: -2.357
local terms energy: -908.280701
where:
bonds (distance) C4'-P energy: -162.803
bonds (distance) P-C4' energy: -156.128
flat angles C4'-P-C4' energy: -202.602
flat angles P-C4'-P energy: -128.262
tors. eta vs tors. theta energy: -258.486
Dist. restrs. and SS energy: 1.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -2843.480019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2843.480019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2845.145184 (E_RNA)
where:
Base-Base interactions energy: -2008.910
where: short stacking energy: -831.965
Base-Backbone interact. energy: -3.059
local terms energy: -833.175880
where:
bonds (distance) C4'-P energy: -150.820
bonds (distance) P-C4' energy: -149.964
flat angles C4'-P-C4' energy: -178.999
flat angles P-C4'-P energy: -102.625
tors. eta vs tors. theta energy: -250.768
Dist. restrs. and SS energy: 1.665 (S_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: 474
Temperature: 1.000000
Total energy: -2845.929039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2845.929039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2848.286081 (E_RNA)
where:
Base-Base interactions energy: -2010.456
where: short stacking energy: -800.751
Base-Backbone interact. energy: 5.299
local terms energy: -843.129709
where:
bonds (distance) C4'-P energy: -151.452
bonds (distance) P-C4' energy: -162.423
flat angles C4'-P-C4' energy: -180.700
flat angles P-C4'-P energy: -113.734
tors. eta vs tors. theta energy: -234.821
Dist. restrs. and SS energy: 2.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -2586.781336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.781336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.869825 (E_RNA)
where:
Base-Base interactions energy: -1784.386
where: short stacking energy: -738.241
Base-Backbone interact. energy: 7.803
local terms energy: -813.286790
where:
bonds (distance) C4'-P energy: -152.803
bonds (distance) P-C4' energy: -152.295
flat angles C4'-P-C4' energy: -177.669
flat angles P-C4'-P energy: -115.315
tors. eta vs tors. theta energy: -215.205
Dist. restrs. and SS energy: 3.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -2459.317565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.317565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.343423 (E_RNA)
where:
Base-Base interactions energy: -1683.546
where: short stacking energy: -740.495
Base-Backbone interact. energy: -0.022
local terms energy: -778.776088
where:
bonds (distance) C4'-P energy: -143.698
bonds (distance) P-C4' energy: -147.699
flat angles C4'-P-C4' energy: -170.041
flat angles P-C4'-P energy: -112.441
tors. eta vs tors. theta energy: -204.898
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: 6, replica: 8
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -2353.984952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.984952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.459024 (E_RNA)
where:
Base-Base interactions energy: -1634.401
where: short stacking energy: -666.429
Base-Backbone interact. energy: 2.216
local terms energy: -725.274110
where:
bonds (distance) C4'-P energy: -133.380
bonds (distance) P-C4' energy: -161.707
flat angles C4'-P-C4' energy: -156.464
flat angles P-C4'-P energy: -85.680
tors. eta vs tors. theta energy: -188.043
Dist. restrs. and SS energy: 3.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -2075.104463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.104463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.217150 (E_RNA)
where:
Base-Base interactions energy: -1378.229
where: short stacking energy: -588.993
Base-Backbone interact. energy: -0.333
local terms energy: -701.655734
where:
bonds (distance) C4'-P energy: -145.195
bonds (distance) P-C4' energy: -147.154
flat angles C4'-P-C4' energy: -166.367
flat angles P-C4'-P energy: -90.112
tors. eta vs tors. theta energy: -152.828
Dist. restrs. and SS energy: 5.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -2101.038682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.038682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.085352 (E_RNA)
where:
Base-Base interactions energy: -1442.775
where: short stacking energy: -625.597
Base-Backbone interact. energy: 3.760
local terms energy: -664.069879
where:
bonds (distance) C4'-P energy: -141.248
bonds (distance) P-C4' energy: -127.546
flat angles C4'-P-C4' energy: -149.127
flat angles P-C4'-P energy: -92.748
tors. eta vs tors. theta energy: -153.401
Dist. restrs. and SS energy: 2.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -1920.215926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.215926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.393968 (E_RNA)
where:
Base-Base interactions energy: -1289.617
where: short stacking energy: -534.501
Base-Backbone interact. energy: 0.552
local terms energy: -635.328282
where:
bonds (distance) C4'-P energy: -118.966
bonds (distance) P-C4' energy: -129.826
flat angles C4'-P-C4' energy: -141.439
flat angles P-C4'-P energy: -107.363
tors. eta vs tors. theta energy: -137.734
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: 10, replica: 1
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -1927.397103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.397103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.916475 (E_RNA)
where:
Base-Base interactions energy: -1298.783
where: short stacking energy: -530.543
Base-Backbone interact. energy: 1.137
local terms energy: -633.269975
where:
bonds (distance) C4'-P energy: -149.701
bonds (distance) P-C4' energy: -146.130
flat angles C4'-P-C4' energy: -114.433
flat angles P-C4'-P energy: -81.320
tors. eta vs tors. theta energy: -141.687
Dist. restrs. and SS energy: 3.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -2984.371468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2984.371468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2986.175955 (E_RNA)
where:
Base-Base interactions energy: -2096.750
where: short stacking energy: -861.715
Base-Backbone interact. energy: -4.476
local terms energy: -884.950531
where:
bonds (distance) C4'-P energy: -157.378
bonds (distance) P-C4' energy: -160.065
flat angles C4'-P-C4' energy: -186.720
flat angles P-C4'-P energy: -124.394
tors. eta vs tors. theta energy: -256.393
Dist. restrs. and SS energy: 1.804 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -2863.200831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2863.200831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2864.147223 (E_RNA)
where:
Base-Base interactions energy: -1973.038
where: short stacking energy: -834.843
Base-Backbone interact. energy: -1.773
local terms energy: -889.336195
where:
bonds (distance) C4'-P energy: -157.271
bonds (distance) P-C4' energy: -171.303
flat angles C4'-P-C4' energy: -186.811
flat angles P-C4'-P energy: -128.229
tors. eta vs tors. theta energy: -245.722
Dist. restrs. and SS energy: 0.946 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -2816.412813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.412813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.149476 (E_RNA)
where:
Base-Base interactions energy: -1973.198
where: short stacking energy: -792.015
Base-Backbone interact. energy: -2.959
local terms energy: -841.992747
where:
bonds (distance) C4'-P energy: -147.505
bonds (distance) P-C4' energy: -149.374
flat angles C4'-P-C4' energy: -191.707
flat angles P-C4'-P energy: -119.632
tors. eta vs tors. theta energy: -233.775
Dist. restrs. and SS energy: 1.737 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -2580.342123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.342123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.247846 (E_RNA)
where:
Base-Base interactions energy: -1809.194
where: short stacking energy: -741.825
Base-Backbone interact. energy: 1.532
local terms energy: -774.586062
where:
bonds (distance) C4'-P energy: -140.966
bonds (distance) P-C4' energy: -137.652
flat angles C4'-P-C4' energy: -164.081
flat angles P-C4'-P energy: -119.760
tors. eta vs tors. theta energy: -212.127
Dist. restrs. and SS energy: 1.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -2447.949867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.949867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.590851 (E_RNA)
where:
Base-Base interactions energy: -1701.613
where: short stacking energy: -725.228
Base-Backbone interact. energy: 2.226
local terms energy: -750.203369
where:
bonds (distance) C4'-P energy: -132.490
bonds (distance) P-C4' energy: -152.323
flat angles C4'-P-C4' energy: -163.302
flat angles P-C4'-P energy: -101.045
tors. eta vs tors. theta energy: -201.043
Dist. restrs. and SS energy: 1.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -2367.284781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.284781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.196838 (E_RNA)
where:
Base-Base interactions energy: -1638.720
where: short stacking energy: -694.395
Base-Backbone interact. energy: -0.871
local terms energy: -731.605269
where:
bonds (distance) C4'-P energy: -125.365
bonds (distance) P-C4' energy: -140.038
flat angles C4'-P-C4' energy: -169.103
flat angles P-C4'-P energy: -98.859
tors. eta vs tors. theta energy: -198.241
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: 7, replica: 2
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -2102.907520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.907520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.030096 (E_RNA)
where:
Base-Base interactions energy: -1400.106
where: short stacking energy: -607.733
Base-Backbone interact. energy: -1.330
local terms energy: -703.593344
where:
bonds (distance) C4'-P energy: -147.801
bonds (distance) P-C4' energy: -127.740
flat angles C4'-P-C4' energy: -160.811
flat angles P-C4'-P energy: -99.918
tors. eta vs tors. theta energy: -167.323
Dist. restrs. and SS energy: 2.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -2106.911368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.911368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.621341 (E_RNA)
where:
Base-Base interactions energy: -1463.788
where: short stacking energy: -628.566
Base-Backbone interact. energy: -0.249
local terms energy: -646.583581
where:
bonds (distance) C4'-P energy: -109.112
bonds (distance) P-C4' energy: -102.632
flat angles C4'-P-C4' energy: -163.811
flat angles P-C4'-P energy: -99.829
tors. eta vs tors. theta energy: -171.198
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: 9, replica: 10
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -1896.271504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.271504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.650914 (E_RNA)
where:
Base-Base interactions energy: -1277.128
where: short stacking energy: -556.374
Base-Backbone interact. energy: 0.281
local terms energy: -623.803260
where:
bonds (distance) C4'-P energy: -125.097
bonds (distance) P-C4' energy: -140.983
flat angles C4'-P-C4' energy: -143.552
flat angles P-C4'-P energy: -83.108
tors. eta vs tors. theta energy: -131.063
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: 10, replica: 1
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -1859.034708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.034708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.861480 (E_RNA)
where:
Base-Base interactions energy: -1278.026
where: short stacking energy: -496.341
Base-Backbone interact. energy: 0.680
local terms energy: -586.514742
where:
bonds (distance) C4'-P energy: -107.275
bonds (distance) P-C4' energy: -140.089
flat angles C4'-P-C4' energy: -130.795
flat angles P-C4'-P energy: -81.793
tors. eta vs tors. theta energy: -126.562
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: 1, replica: 9
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -2988.717873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2988.717873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2990.267207 (E_RNA)
where:
Base-Base interactions energy: -2090.690
where: short stacking energy: -864.514
Base-Backbone interact. energy: -2.843
local terms energy: -896.733808
where:
bonds (distance) C4'-P energy: -164.879
bonds (distance) P-C4' energy: -163.203
flat angles C4'-P-C4' energy: -184.079
flat angles P-C4'-P energy: -126.879
tors. eta vs tors. theta energy: -257.693
Dist. restrs. and SS energy: 1.549 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -2826.380694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2826.380694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.675840 (E_RNA)
where:
Base-Base interactions energy: -1952.177
where: short stacking energy: -799.627
Base-Backbone interact. energy: 4.237
local terms energy: -879.735795
where:
bonds (distance) C4'-P energy: -147.353
bonds (distance) P-C4' energy: -170.229
flat angles C4'-P-C4' energy: -192.078
flat angles P-C4'-P energy: -123.411
tors. eta vs tors. theta energy: -246.665
Dist. restrs. and SS energy: 1.295 (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: 7
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -2765.563604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2765.563604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.360492 (E_RNA)
where:
Base-Base interactions energy: -1921.021
where: short stacking energy: -788.057
Base-Backbone interact. energy: -4.791
local terms energy: -842.548570
where:
bonds (distance) C4'-P energy: -154.907
bonds (distance) P-C4' energy: -163.668
flat angles C4'-P-C4' energy: -178.324
flat angles P-C4'-P energy: -120.803
tors. eta vs tors. theta energy: -224.847
Dist. restrs. and SS energy: 2.797 (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: 4
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -2620.458586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.458586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.093778 (E_RNA)
where:
Base-Base interactions energy: -1830.003
where: short stacking energy: -737.110
Base-Backbone interact. energy: -4.138
local terms energy: -787.952544
where:
bonds (distance) C4'-P energy: -144.685
bonds (distance) P-C4' energy: -142.939
flat angles C4'-P-C4' energy: -168.877
flat angles P-C4'-P energy: -116.716
tors. eta vs tors. theta energy: -214.736
Dist. restrs. and SS energy: 1.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -2399.378116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.378116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.205612 (E_RNA)
where:
Base-Base interactions energy: -1652.837
where: short stacking energy: -697.362
Base-Backbone interact. energy: -1.437
local terms energy: -746.931730
where:
bonds (distance) C4'-P energy: -132.358
bonds (distance) P-C4' energy: -158.141
flat angles C4'-P-C4' energy: -168.806
flat angles P-C4'-P energy: -95.652
tors. eta vs tors. theta energy: -191.975
Dist. restrs. and SS energy: 1.827 (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: 8
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -2336.462748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.462748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.685287 (E_RNA)
where:
Base-Base interactions energy: -1625.032
where: short stacking energy: -691.790
Base-Backbone interact. energy: -1.408
local terms energy: -713.245699
where:
bonds (distance) C4'-P energy: -127.533
bonds (distance) P-C4' energy: -127.695
flat angles C4'-P-C4' energy: -150.282
flat angles P-C4'-P energy: -116.275
tors. eta vs tors. theta energy: -191.461
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: 7, replica: 2
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -2136.474973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.474973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.180212 (E_RNA)
where:
Base-Base interactions energy: -1450.054
where: short stacking energy: -629.662
Base-Backbone interact. energy: -0.555
local terms energy: -688.571270
where:
bonds (distance) C4'-P energy: -118.799
bonds (distance) P-C4' energy: -138.225
flat angles C4'-P-C4' energy: -137.912
flat angles P-C4'-P energy: -110.026
tors. eta vs tors. theta energy: -183.610
Dist. restrs. and SS energy: 2.705 (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: 3
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -2098.178574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.178574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.765307 (E_RNA)
where:
Base-Base interactions energy: -1439.095
where: short stacking energy: -610.434
Base-Backbone interact. energy: 1.861
local terms energy: -663.530863
where:
bonds (distance) C4'-P energy: -113.478
bonds (distance) P-C4' energy: -130.784
flat angles C4'-P-C4' energy: -157.484
flat angles P-C4'-P energy: -91.347
tors. eta vs tors. theta energy: -170.437
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: 9, replica: 10
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -1936.229150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.229150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.382662 (E_RNA)
where:
Base-Base interactions energy: -1292.980
where: short stacking energy: -533.938
Base-Backbone interact. energy: -1.213
local terms energy: -646.189694
where:
bonds (distance) C4'-P energy: -143.797
bonds (distance) P-C4' energy: -135.125
flat angles C4'-P-C4' energy: -134.713
flat angles P-C4'-P energy: -94.144
tors. eta vs tors. theta energy: -138.412
Dist. restrs. and SS energy: 4.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -1885.173247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.173247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.008691 (E_RNA)
where:
Base-Base interactions energy: -1283.756
where: short stacking energy: -564.681
Base-Backbone interact. energy: 5.737
local terms energy: -611.990059
where:
bonds (distance) C4'-P energy: -127.565
bonds (distance) P-C4' energy: -115.457
flat angles C4'-P-C4' energy: -129.058
flat angles P-C4'-P energy: -88.338
tors. eta vs tors. theta energy: -151.572
Dist. restrs. and SS energy: 4.835 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -2985.767944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2985.767944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2989.192747 (E_RNA)
where:
Base-Base interactions energy: -2073.524
where: short stacking energy: -869.980
Base-Backbone interact. energy: 1.230
local terms energy: -916.898749
where:
bonds (distance) C4'-P energy: -162.368
bonds (distance) P-C4' energy: -172.316
flat angles C4'-P-C4' energy: -187.549
flat angles P-C4'-P energy: -125.167
tors. eta vs tors. theta energy: -269.499
Dist. restrs. and SS energy: 3.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -2896.245499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2896.245499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2897.564178 (E_RNA)
where:
Base-Base interactions energy: -2027.086
where: short stacking energy: -836.307
Base-Backbone interact. energy: -6.941
local terms energy: -863.536613
where:
bonds (distance) C4'-P energy: -144.207
bonds (distance) P-C4' energy: -164.572
flat angles C4'-P-C4' energy: -181.500
flat angles P-C4'-P energy: -114.087
tors. eta vs tors. theta energy: -259.172
Dist. restrs. and SS energy: 1.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -2753.457436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.457436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2755.942397 (E_RNA)
where:
Base-Base interactions energy: -1913.044
where: short stacking energy: -750.173
Base-Backbone interact. energy: -4.293
local terms energy: -838.604872
where:
bonds (distance) C4'-P energy: -154.430
bonds (distance) P-C4' energy: -151.589
flat angles C4'-P-C4' energy: -179.242
flat angles P-C4'-P energy: -121.396
tors. eta vs tors. theta energy: -231.948
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: 4
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -2623.946311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.946311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.554906 (E_RNA)
where:
Base-Base interactions energy: -1804.075
where: short stacking energy: -747.982
Base-Backbone interact. energy: -1.553
local terms energy: -819.926966
where:
bonds (distance) C4'-P energy: -156.238
bonds (distance) P-C4' energy: -169.599
flat angles C4'-P-C4' energy: -175.683
flat angles P-C4'-P energy: -109.277
tors. eta vs tors. theta energy: -209.131
Dist. restrs. and SS energy: 1.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -2412.071387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.071387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.270391 (E_RNA)
where:
Base-Base interactions energy: -1661.280
where: short stacking energy: -671.702
Base-Backbone interact. energy: 1.678
local terms energy: -754.668363
where:
bonds (distance) C4'-P energy: -141.435
bonds (distance) P-C4' energy: -149.419
flat angles C4'-P-C4' energy: -174.769
flat angles P-C4'-P energy: -108.051
tors. eta vs tors. theta energy: -180.993
Dist. restrs. and SS energy: 2.199 (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: 8
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -2314.637621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.637621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.486909 (E_RNA)
where:
Base-Base interactions energy: -1570.080
where: short stacking energy: -644.846
Base-Backbone interact. energy: 4.686
local terms energy: -751.093128
where:
bonds (distance) C4'-P energy: -132.127
bonds (distance) P-C4' energy: -158.987
flat angles C4'-P-C4' energy: -162.888
flat angles P-C4'-P energy: -102.128
tors. eta vs tors. theta energy: -194.963
Dist. restrs. and SS energy: 1.849 (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: 2
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -2167.314960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.314960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.010824 (E_RNA)
where:
Base-Base interactions energy: -1493.535
where: short stacking energy: -639.466
Base-Backbone interact. energy: 1.774
local terms energy: -677.249683
where:
bonds (distance) C4'-P energy: -128.322
bonds (distance) P-C4' energy: -142.049
flat angles C4'-P-C4' energy: -134.949
flat angles P-C4'-P energy: -105.510
tors. eta vs tors. theta energy: -166.419
Dist. restrs. and SS energy: 1.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -2155.414686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.414686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.616395 (E_RNA)
where:
Base-Base interactions energy: -1470.390
where: short stacking energy: -605.098
Base-Backbone interact. energy: -1.440
local terms energy: -685.786529
where:
bonds (distance) C4'-P energy: -120.454
bonds (distance) P-C4' energy: -126.343
flat angles C4'-P-C4' energy: -160.618
flat angles P-C4'-P energy: -113.825
tors. eta vs tors. theta energy: -164.547
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: 9, replica: 10
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -1943.370357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.370357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.420508 (E_RNA)
where:
Base-Base interactions energy: -1302.547
where: short stacking energy: -532.711
Base-Backbone interact. energy: -1.095
local terms energy: -642.778145
where:
bonds (distance) C4'-P energy: -135.662
bonds (distance) P-C4' energy: -152.554
flat angles C4'-P-C4' energy: -137.666
flat angles P-C4'-P energy: -92.348
tors. eta vs tors. theta energy: -124.548
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: 10, replica: 1
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -1897.643643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.643643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.441618 (E_RNA)
where:
Base-Base interactions energy: -1306.524
where: short stacking energy: -537.337
Base-Backbone interact. energy: 0.747
local terms energy: -594.664460
where:
bonds (distance) C4'-P energy: -100.205
bonds (distance) P-C4' energy: -128.876
flat angles C4'-P-C4' energy: -149.196
flat angles P-C4'-P energy: -80.419
tors. eta vs tors. theta energy: -135.968
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: 1, replica: 9
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -3002.567794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3002.567794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3004.405373 (E_RNA)
where:
Base-Base interactions energy: -2088.346
where: short stacking energy: -875.755
Base-Backbone interact. energy: -2.839
local terms energy: -913.220294
where:
bonds (distance) C4'-P energy: -157.146
bonds (distance) P-C4' energy: -176.707
flat angles C4'-P-C4' energy: -189.113
flat angles P-C4'-P energy: -123.857
tors. eta vs tors. theta energy: -266.396
Dist. restrs. and SS energy: 1.838 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -2882.044827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2882.044827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2883.700173 (E_RNA)
where:
Base-Base interactions energy: -1993.603
where: short stacking energy: -821.667
Base-Backbone interact. energy: -2.427
local terms energy: -887.670669
where:
bonds (distance) C4'-P energy: -166.358
bonds (distance) P-C4' energy: -157.743
flat angles C4'-P-C4' energy: -176.456
flat angles P-C4'-P energy: -137.575
tors. eta vs tors. theta energy: -249.538
Dist. restrs. and SS energy: 1.655 (S_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: 478
Temperature: 1.000000
Total energy: -2736.309946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.309946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.210851 (E_RNA)
where:
Base-Base interactions energy: -1927.137
where: short stacking energy: -760.617
Base-Backbone interact. energy: 2.583
local terms energy: -814.656290
where:
bonds (distance) C4'-P energy: -156.135
bonds (distance) P-C4' energy: -142.156
flat angles C4'-P-C4' energy: -174.919
flat angles P-C4'-P energy: -117.380
tors. eta vs tors. theta energy: -224.067
Dist. restrs. and SS energy: 2.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -2566.884989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.884989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.720287 (E_RNA)
where:
Base-Base interactions energy: -1783.356
where: short stacking energy: -714.525
Base-Backbone interact. energy: -2.482
local terms energy: -783.881841
where:
bonds (distance) C4'-P energy: -138.872
bonds (distance) P-C4' energy: -149.625
flat angles C4'-P-C4' energy: -172.581
flat angles P-C4'-P energy: -114.994
tors. eta vs tors. theta energy: -207.810
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: 5, replica: 8
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -2403.611822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.611822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.443059 (E_RNA)
where:
Base-Base interactions energy: -1663.955
where: short stacking energy: -722.045
Base-Backbone interact. energy: 0.253
local terms energy: -741.741589
where:
bonds (distance) C4'-P energy: -135.854
bonds (distance) P-C4' energy: -136.230
flat angles C4'-P-C4' energy: -164.912
flat angles P-C4'-P energy: -100.034
tors. eta vs tors. theta energy: -204.712
Dist. restrs. and SS energy: 1.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -2356.164277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.164277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.588275 (E_RNA)
where:
Base-Base interactions energy: -1605.339
where: short stacking energy: -676.534
Base-Backbone interact. energy: 0.721
local terms energy: -753.970224
where:
bonds (distance) C4'-P energy: -155.520
bonds (distance) P-C4' energy: -157.017
flat angles C4'-P-C4' energy: -158.985
flat angles P-C4'-P energy: -102.164
tors. eta vs tors. theta energy: -180.284
Dist. restrs. and SS energy: 2.424 (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: 3
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -2247.984075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.984075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.195742 (E_RNA)
where:
Base-Base interactions energy: -1544.862
where: short stacking energy: -645.736
Base-Backbone interact. energy: 4.474
local terms energy: -709.807467
where:
bonds (distance) C4'-P energy: -136.475
bonds (distance) P-C4' energy: -132.579
flat angles C4'-P-C4' energy: -143.781
flat angles P-C4'-P energy: -111.856
tors. eta vs tors. theta energy: -185.117
Dist. restrs. and SS energy: 2.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -2073.833485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.833485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.822531 (E_RNA)
where:
Base-Base interactions energy: -1393.989
where: short stacking energy: -576.016
Base-Backbone interact. energy: -3.183
local terms energy: -679.650182
where:
bonds (distance) C4'-P energy: -149.330
bonds (distance) P-C4' energy: -146.661
flat angles C4'-P-C4' energy: -147.895
flat angles P-C4'-P energy: -92.325
tors. eta vs tors. theta energy: -143.439
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: 9, replica: 1
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -1948.657626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.657626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.594747 (E_RNA)
where:
Base-Base interactions energy: -1352.699
where: short stacking energy: -587.259
Base-Backbone interact. energy: -1.325
local terms energy: -602.571011
where:
bonds (distance) C4'-P energy: -111.358
bonds (distance) P-C4' energy: -113.192
flat angles C4'-P-C4' energy: -148.604
flat angles P-C4'-P energy: -86.235
tors. eta vs tors. theta energy: -143.182
Dist. restrs. and SS energy: 7.937 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -1895.128464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.128464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.917991 (E_RNA)
where:
Base-Base interactions energy: -1267.244
where: short stacking energy: -520.274
Base-Backbone interact. energy: 1.514
local terms energy: -632.188135
where:
bonds (distance) C4'-P energy: -137.258
bonds (distance) P-C4' energy: -132.088
flat angles C4'-P-C4' energy: -146.358
flat angles P-C4'-P energy: -85.952
tors. eta vs tors. theta energy: -130.533
Dist. restrs. and SS energy: 2.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -3016.318858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3016.318858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3018.377165 (E_RNA)
where:
Base-Base interactions energy: -2133.284
where: short stacking energy: -869.190
Base-Backbone interact. energy: -0.639
local terms energy: -884.453634
where:
bonds (distance) C4'-P energy: -160.994
bonds (distance) P-C4' energy: -155.311
flat angles C4'-P-C4' energy: -189.671
flat angles P-C4'-P energy: -118.716
tors. eta vs tors. theta energy: -259.761
Dist. restrs. and SS energy: 2.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -2822.714440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.714440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2823.699139 (E_RNA)
where:
Base-Base interactions energy: -1953.644
where: short stacking energy: -825.149
Base-Backbone interact. energy: -3.318
local terms energy: -866.736637
where:
bonds (distance) C4'-P energy: -151.439
bonds (distance) P-C4' energy: -168.828
flat angles C4'-P-C4' energy: -184.508
flat angles P-C4'-P energy: -118.510
tors. eta vs tors. theta energy: -243.452
Dist. restrs. and SS energy: 0.985 (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: 7
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -2761.596453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2761.596453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2764.094290 (E_RNA)
where:
Base-Base interactions energy: -1937.112
where: short stacking energy: -803.796
Base-Backbone interact. energy: -1.821
local terms energy: -825.161425
where:
bonds (distance) C4'-P energy: -159.576
bonds (distance) P-C4' energy: -156.672
flat angles C4'-P-C4' energy: -178.244
flat angles P-C4'-P energy: -100.580
tors. eta vs tors. theta energy: -230.090
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: 4, replica: 4
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -2572.092777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.092777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.542876 (E_RNA)
where:
Base-Base interactions energy: -1767.482
where: short stacking energy: -727.403
Base-Backbone interact. energy: 1.870
local terms energy: -808.930091
where:
bonds (distance) C4'-P energy: -150.307
bonds (distance) P-C4' energy: -147.801
flat angles C4'-P-C4' energy: -172.150
flat angles P-C4'-P energy: -124.651
tors. eta vs tors. theta energy: -214.022
Dist. restrs. and SS energy: 2.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -2421.564282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.564282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.327624 (E_RNA)
where:
Base-Base interactions energy: -1655.889
where: short stacking energy: -702.597
Base-Backbone interact. energy: -3.302
local terms energy: -764.136955
where:
bonds (distance) C4'-P energy: -155.272
bonds (distance) P-C4' energy: -121.400
flat angles C4'-P-C4' energy: -164.785
flat angles P-C4'-P energy: -112.915
tors. eta vs tors. theta energy: -209.764
Dist. restrs. and SS energy: 1.763 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -2393.141385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.141385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.955316 (E_RNA)
where:
Base-Base interactions energy: -1609.905
where: short stacking energy: -682.674
Base-Backbone interact. energy: -5.040
local terms energy: -780.011050
where:
bonds (distance) C4'-P energy: -157.901
bonds (distance) P-C4' energy: -145.711
flat angles C4'-P-C4' energy: -171.138
flat angles P-C4'-P energy: -105.956
tors. eta vs tors. theta energy: -199.305
Dist. restrs. and SS energy: 1.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -2241.161568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.161568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.749862 (E_RNA)
where:
Base-Base interactions energy: -1534.815
where: short stacking energy: -644.010
Base-Backbone interact. energy: -3.417
local terms energy: -704.518201
where:
bonds (distance) C4'-P energy: -140.005
bonds (distance) P-C4' energy: -139.174
flat angles C4'-P-C4' energy: -154.250
flat angles P-C4'-P energy: -90.171
tors. eta vs tors. theta energy: -180.919
Dist. restrs. and SS energy: 1.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -2091.111833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.111833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.100123 (E_RNA)
where:
Base-Base interactions energy: -1414.348
where: short stacking energy: -620.002
Base-Backbone interact. energy: -0.227
local terms energy: -679.524401
where:
bonds (distance) C4'-P energy: -122.300
bonds (distance) P-C4' energy: -137.691
flat angles C4'-P-C4' energy: -152.380
flat angles P-C4'-P energy: -104.679
tors. eta vs tors. theta energy: -162.474
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: 9, replica: 1
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -1975.398438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.398438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.536401 (E_RNA)
where:
Base-Base interactions energy: -1360.522
where: short stacking energy: -578.457
Base-Backbone interact. energy: -2.306
local terms energy: -614.708377
where:
bonds (distance) C4'-P energy: -124.672
bonds (distance) P-C4' energy: -121.411
flat angles C4'-P-C4' energy: -145.937
flat angles P-C4'-P energy: -87.727
tors. eta vs tors. theta energy: -134.961
Dist. restrs. and SS energy: 2.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -1877.083061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.083061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.342733 (E_RNA)
where:
Base-Base interactions energy: -1271.473
where: short stacking energy: -501.708
Base-Backbone interact. energy: 0.628
local terms energy: -610.497629
where:
bonds (distance) C4'-P energy: -121.426
bonds (distance) P-C4' energy: -131.756
flat angles C4'-P-C4' energy: -133.040
flat angles P-C4'-P energy: -95.701
tors. eta vs tors. theta energy: -128.575
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: 1, replica: 9
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -3033.815755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3033.815755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3035.635539 (E_RNA)
where:
Base-Base interactions energy: -2132.536
where: short stacking energy: -871.430
Base-Backbone interact. energy: -2.717
local terms energy: -900.382425
where:
bonds (distance) C4'-P energy: -158.349
bonds (distance) P-C4' energy: -158.787
flat angles C4'-P-C4' energy: -190.802
flat angles P-C4'-P energy: -132.342
tors. eta vs tors. theta energy: -260.103
Dist. restrs. and SS energy: 1.820 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -2858.243356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2858.243356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2859.735139 (E_RNA)
where:
Base-Base interactions energy: -1984.078
where: short stacking energy: -822.662
Base-Backbone interact. energy: 0.619
local terms energy: -876.275410
where:
bonds (distance) C4'-P energy: -150.709
bonds (distance) P-C4' energy: -164.345
flat angles C4'-P-C4' energy: -187.900
flat angles P-C4'-P energy: -117.630
tors. eta vs tors. theta energy: -255.691
Dist. restrs. and SS energy: 1.492 (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: 480
Temperature: 1.000000
Total energy: -2793.074326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.074326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.442153 (E_RNA)
where:
Base-Base interactions energy: -1935.345
where: short stacking energy: -818.574
Base-Backbone interact. energy: -2.202
local terms energy: -856.895812
where:
bonds (distance) C4'-P energy: -149.051
bonds (distance) P-C4' energy: -163.136
flat angles C4'-P-C4' energy: -174.096
flat angles P-C4'-P energy: -120.156
tors. eta vs tors. theta energy: -250.456
Dist. restrs. and SS energy: 1.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -2594.750846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.750846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.016883 (E_RNA)
where:
Base-Base interactions energy: -1843.798
where: short stacking energy: -730.316
Base-Backbone interact. energy: -3.729
local terms energy: -748.489806
where:
bonds (distance) C4'-P energy: -129.630
bonds (distance) P-C4' energy: -140.514
flat angles C4'-P-C4' energy: -164.922
flat angles P-C4'-P energy: -104.023
tors. eta vs tors. theta energy: -209.402
Dist. restrs. and SS energy: 1.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -2392.176678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.176678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.884042 (E_RNA)
where:
Base-Base interactions energy: -1639.018
where: short stacking energy: -702.740
Base-Backbone interact. energy: 0.862
local terms energy: -756.728173
where:
bonds (distance) C4'-P energy: -143.227
bonds (distance) P-C4' energy: -155.988
flat angles C4'-P-C4' energy: -168.611
flat angles P-C4'-P energy: -90.393
tors. eta vs tors. theta energy: -198.510
Dist. restrs. and SS energy: 2.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -2395.578056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.578056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.245353 (E_RNA)
where:
Base-Base interactions energy: -1614.036
where: short stacking energy: -686.031
Base-Backbone interact. energy: 0.457
local terms energy: -784.666240
where:
bonds (distance) C4'-P energy: -133.167
bonds (distance) P-C4' energy: -151.012
flat angles C4'-P-C4' energy: -187.679
flat angles P-C4'-P energy: -99.072
tors. eta vs tors. theta energy: -213.736
Dist. restrs. and SS energy: 2.667 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -2283.252041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.252041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.314653 (E_RNA)
where:
Base-Base interactions energy: -1555.782
where: short stacking energy: -665.423
Base-Backbone interact. energy: -3.941
local terms energy: -726.592125
where:
bonds (distance) C4'-P energy: -131.809
bonds (distance) P-C4' energy: -139.110
flat angles C4'-P-C4' energy: -157.946
flat angles P-C4'-P energy: -92.804
tors. eta vs tors. theta energy: -204.923
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: 8, replica: 2
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -2068.373053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.373053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.901362 (E_RNA)
where:
Base-Base interactions energy: -1378.026
where: short stacking energy: -609.419
Base-Backbone interact. energy: 0.128
local terms energy: -693.003425
where:
bonds (distance) C4'-P energy: -124.153
bonds (distance) P-C4' energy: -138.578
flat angles C4'-P-C4' energy: -159.624
flat angles P-C4'-P energy: -106.382
tors. eta vs tors. theta energy: -164.267
Dist. restrs. and SS energy: 2.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -1972.173020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.173020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.188153 (E_RNA)
where:
Base-Base interactions energy: -1331.663
where: short stacking energy: -571.371
Base-Backbone interact. energy: 2.561
local terms energy: -646.085261
where:
bonds (distance) C4'-P energy: -117.396
bonds (distance) P-C4' energy: -142.555
flat angles C4'-P-C4' energy: -141.768
flat angles P-C4'-P energy: -81.282
tors. eta vs tors. theta energy: -163.083
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: 10, replica: 10
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -1897.821174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.821174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.932212 (E_RNA)
where:
Base-Base interactions energy: -1262.025
where: short stacking energy: -518.979
Base-Backbone interact. energy: 5.076
local terms energy: -643.982881
where:
bonds (distance) C4'-P energy: -123.298
bonds (distance) P-C4' energy: -140.116
flat angles C4'-P-C4' energy: -138.722
flat angles P-C4'-P energy: -105.389
tors. eta vs tors. theta energy: -136.458
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: 1, replica: 9
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -3016.692111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3016.692111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3018.652991 (E_RNA)
where:
Base-Base interactions energy: -2103.692
where: short stacking energy: -897.267
Base-Backbone interact. energy: -5.878
local terms energy: -909.083223
where:
bonds (distance) C4'-P energy: -165.586
bonds (distance) P-C4' energy: -146.582
flat angles C4'-P-C4' energy: -194.382
flat angles P-C4'-P energy: -127.332
tors. eta vs tors. theta energy: -275.201
Dist. restrs. and SS energy: 1.961 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -2852.296428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2852.296428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2854.164399 (E_RNA)
where:
Base-Base interactions energy: -1988.837
where: short stacking energy: -826.759
Base-Backbone interact. energy: -3.348
local terms energy: -861.979898
where:
bonds (distance) C4'-P energy: -156.273
bonds (distance) P-C4' energy: -152.044
flat angles C4'-P-C4' energy: -180.986
flat angles P-C4'-P energy: -124.220
tors. eta vs tors. theta energy: -248.457
Dist. restrs. and SS energy: 1.868 (S_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: 481
Temperature: 1.000000
Total energy: -2767.483587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.483587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2769.093785 (E_RNA)
where:
Base-Base interactions energy: -1913.052
where: short stacking energy: -797.327
Base-Backbone interact. energy: 1.971
local terms energy: -858.013066
where:
bonds (distance) C4'-P energy: -153.198
bonds (distance) P-C4' energy: -158.264
flat angles C4'-P-C4' energy: -188.616
flat angles P-C4'-P energy: -113.365
tors. eta vs tors. theta energy: -244.570
Dist. restrs. and SS energy: 1.610 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -2641.574073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.574073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.153846 (E_RNA)
where:
Base-Base interactions energy: -1833.072
where: short stacking energy: -744.813
Base-Backbone interact. energy: 2.082
local terms energy: -812.163801
where:
bonds (distance) C4'-P energy: -140.695
bonds (distance) P-C4' energy: -164.631
flat angles C4'-P-C4' energy: -179.373
flat angles P-C4'-P energy: -111.213
tors. eta vs tors. theta energy: -216.252
Dist. restrs. and SS energy: 1.580 (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: 8
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -2379.128217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.128217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.178923 (E_RNA)
where:
Base-Base interactions energy: -1613.069
where: short stacking energy: -676.876
Base-Backbone interact. energy: 2.095
local terms energy: -770.204851
where:
bonds (distance) C4'-P energy: -134.792
bonds (distance) P-C4' energy: -166.549
flat angles C4'-P-C4' energy: -157.828
flat angles P-C4'-P energy: -117.383
tors. eta vs tors. theta energy: -193.653
Dist. restrs. and SS energy: 2.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -2353.060733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.060733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.613144 (E_RNA)
where:
Base-Base interactions energy: -1572.592
where: short stacking energy: -703.682
Base-Backbone interact. energy: 4.360
local terms energy: -787.381142
where:
bonds (distance) C4'-P energy: -156.100
bonds (distance) P-C4' energy: -155.996
flat angles C4'-P-C4' energy: -160.783
flat angles P-C4'-P energy: -103.780
tors. eta vs tors. theta energy: -210.723
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: 7, replica: 3
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -2308.389153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.389153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.230679 (E_RNA)
where:
Base-Base interactions energy: -1567.194
where: short stacking energy: -648.401
Base-Backbone interact. energy: -6.658
local terms energy: -736.379336
where:
bonds (distance) C4'-P energy: -131.926
bonds (distance) P-C4' energy: -149.084
flat angles C4'-P-C4' energy: -156.761
flat angles P-C4'-P energy: -95.590
tors. eta vs tors. theta energy: -203.018
Dist. restrs. and SS energy: 1.842 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -2002.031944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.031944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.409237 (E_RNA)
where:
Base-Base interactions energy: -1368.323
where: short stacking energy: -577.389
Base-Backbone interact. energy: 2.948
local terms energy: -639.033737
where:
bonds (distance) C4'-P energy: -129.736
bonds (distance) P-C4' energy: -125.136
flat angles C4'-P-C4' energy: -158.757
flat angles P-C4'-P energy: -81.295
tors. eta vs tors. theta energy: -144.111
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: 9, replica: 1
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -1969.508744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.508744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.814129 (E_RNA)
where:
Base-Base interactions energy: -1311.692
where: short stacking energy: -559.332
Base-Backbone interact. energy: 9.467
local terms energy: -671.589104
where:
bonds (distance) C4'-P energy: -142.692
bonds (distance) P-C4' energy: -129.538
flat angles C4'-P-C4' energy: -140.403
flat angles P-C4'-P energy: -110.475
tors. eta vs tors. theta energy: -148.480
Dist. restrs. and SS energy: 4.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -1889.231410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.231410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.981584 (E_RNA)
where:
Base-Base interactions energy: -1292.888
where: short stacking energy: -519.750
Base-Backbone interact. energy: 7.603
local terms energy: -606.696233
where:
bonds (distance) C4'-P energy: -117.121
bonds (distance) P-C4' energy: -128.431
flat angles C4'-P-C4' energy: -133.145
flat angles P-C4'-P energy: -91.731
tors. eta vs tors. theta energy: -136.268
Dist. restrs. and SS energy: 2.750 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -2986.640130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2986.640130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2988.446647 (E_RNA)
where:
Base-Base interactions energy: -2085.188
where: short stacking energy: -862.399
Base-Backbone interact. energy: -1.668
local terms energy: -901.590948
where:
bonds (distance) C4'-P energy: -155.920
bonds (distance) P-C4' energy: -165.516
flat angles C4'-P-C4' energy: -186.509
flat angles P-C4'-P energy: -135.719
tors. eta vs tors. theta energy: -257.927
Dist. restrs. and SS energy: 1.807 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -2830.234688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2830.234688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2831.486997 (E_RNA)
where:
Base-Base interactions energy: -1993.795
where: short stacking energy: -808.676
Base-Backbone interact. energy: -2.204
local terms energy: -835.488215
where:
bonds (distance) C4'-P energy: -140.714
bonds (distance) P-C4' energy: -152.942
flat angles C4'-P-C4' energy: -176.957
flat angles P-C4'-P energy: -120.615
tors. eta vs tors. theta energy: -244.261
Dist. restrs. and SS energy: 1.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -2784.960099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.960099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.836967 (E_RNA)
where:
Base-Base interactions energy: -1958.356
where: short stacking energy: -791.992
Base-Backbone interact. energy: 2.883
local terms energy: -831.364168
where:
bonds (distance) C4'-P energy: -153.890
bonds (distance) P-C4' energy: -151.149
flat angles C4'-P-C4' energy: -175.683
flat angles P-C4'-P energy: -121.856
tors. eta vs tors. theta energy: -228.786
Dist. restrs. and SS energy: 1.877 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -2555.409350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.409350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.575472 (E_RNA)
where:
Base-Base interactions energy: -1793.308
where: short stacking energy: -721.195
Base-Backbone interact. energy: 2.811
local terms energy: -767.078997
where:
bonds (distance) C4'-P energy: -136.832
bonds (distance) P-C4' energy: -134.254
flat angles C4'-P-C4' energy: -175.815
flat angles P-C4'-P energy: -119.588
tors. eta vs tors. theta energy: -200.590
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: 5, replica: 8
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -2401.289062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.289062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.298768 (E_RNA)
where:
Base-Base interactions energy: -1666.761
where: short stacking energy: -691.513
Base-Backbone interact. energy: 11.127
local terms energy: -747.664581
where:
bonds (distance) C4'-P energy: -143.515
bonds (distance) P-C4' energy: -147.558
flat angles C4'-P-C4' energy: -150.570
flat angles P-C4'-P energy: -111.798
tors. eta vs tors. theta energy: -194.224
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: 6, replica: 6
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -2332.548835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.548835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.866643 (E_RNA)
where:
Base-Base interactions energy: -1587.329
where: short stacking energy: -677.502
Base-Backbone interact. energy: 1.567
local terms energy: -749.104659
where:
bonds (distance) C4'-P energy: -122.906
bonds (distance) P-C4' energy: -152.874
flat angles C4'-P-C4' energy: -166.771
flat angles P-C4'-P energy: -96.321
tors. eta vs tors. theta energy: -210.233
Dist. restrs. and SS energy: 2.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -2264.409098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.409098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.536796 (E_RNA)
where:
Base-Base interactions energy: -1559.891
where: short stacking energy: -653.315
Base-Backbone interact. energy: 3.541
local terms energy: -710.187286
where:
bonds (distance) C4'-P energy: -129.167
bonds (distance) P-C4' energy: -146.602
flat angles C4'-P-C4' energy: -145.937
flat angles P-C4'-P energy: -107.193
tors. eta vs tors. theta energy: -181.287
Dist. restrs. and SS energy: 2.128 (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: 2
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -2032.726365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.726365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.903273 (E_RNA)
where:
Base-Base interactions energy: -1374.351
where: short stacking energy: -625.107
Base-Backbone interact. energy: 2.530
local terms energy: -663.081678
where:
bonds (distance) C4'-P energy: -126.013
bonds (distance) P-C4' energy: -133.379
flat angles C4'-P-C4' energy: -156.942
flat angles P-C4'-P energy: -80.524
tors. eta vs tors. theta energy: -166.223
Dist. restrs. and SS energy: 2.177 (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: 10
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -1960.671526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.671526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.817073 (E_RNA)
where:
Base-Base interactions energy: -1304.532
where: short stacking energy: -548.598
Base-Backbone interact. energy: 8.406
local terms energy: -667.690463
where:
bonds (distance) C4'-P energy: -109.514
bonds (distance) P-C4' energy: -154.764
flat angles C4'-P-C4' energy: -150.424
flat angles P-C4'-P energy: -106.438
tors. eta vs tors. theta energy: -146.550
Dist. restrs. and SS energy: 3.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -1855.818375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.818375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.226881 (E_RNA)
where:
Base-Base interactions energy: -1241.337
where: short stacking energy: -518.754
Base-Backbone interact. energy: -2.183
local terms energy: -615.707180
where:
bonds (distance) C4'-P energy: -132.018
bonds (distance) P-C4' energy: -126.881
flat angles C4'-P-C4' energy: -138.867
flat angles P-C4'-P energy: -96.573
tors. eta vs tors. theta energy: -121.369
Dist. restrs. and SS energy: 3.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -2990.489313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2990.489313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2992.114961 (E_RNA)
where:
Base-Base interactions energy: -2074.840
where: short stacking energy: -886.244
Base-Backbone interact. energy: -4.293
local terms energy: -912.981418
where:
bonds (distance) C4'-P energy: -167.219
bonds (distance) P-C4' energy: -151.755
flat angles C4'-P-C4' energy: -195.914
flat angles P-C4'-P energy: -138.658
tors. eta vs tors. theta energy: -259.436
Dist. restrs. and SS energy: 1.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -2870.926445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2870.926445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2872.696429 (E_RNA)
where:
Base-Base interactions energy: -1997.316
where: short stacking energy: -804.943
Base-Backbone interact. energy: -2.911
local terms energy: -872.469608
where:
bonds (distance) C4'-P energy: -154.685
bonds (distance) P-C4' energy: -156.877
flat angles C4'-P-C4' energy: -188.168
flat angles P-C4'-P energy: -124.615
tors. eta vs tors. theta energy: -248.125
Dist. restrs. and SS energy: 1.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -2790.315279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.315279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.427570 (E_RNA)
where:
Base-Base interactions energy: -1931.442
where: short stacking energy: -808.614
Base-Backbone interact. energy: -5.087
local terms energy: -854.898167
where:
bonds (distance) C4'-P energy: -142.206
bonds (distance) P-C4' energy: -154.888
flat angles C4'-P-C4' energy: -190.927
flat angles P-C4'-P energy: -122.485
tors. eta vs tors. theta energy: -244.392
Dist. restrs. and SS energy: 1.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -2586.130579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.130579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.516188 (E_RNA)
where:
Base-Base interactions energy: -1810.288
where: short stacking energy: -743.545
Base-Backbone interact. energy: 2.549
local terms energy: -780.777567
where:
bonds (distance) C4'-P energy: -147.689
bonds (distance) P-C4' energy: -158.862
flat angles C4'-P-C4' energy: -168.939
flat angles P-C4'-P energy: -103.855
tors. eta vs tors. theta energy: -201.433
Dist. restrs. and SS energy: 2.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -2351.143565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.143565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.203746 (E_RNA)
where:
Base-Base interactions energy: -1603.244
where: short stacking energy: -692.544
Base-Backbone interact. energy: -0.689
local terms energy: -750.270809
where:
bonds (distance) C4'-P energy: -154.723
bonds (distance) P-C4' energy: -125.394
flat angles C4'-P-C4' energy: -157.169
flat angles P-C4'-P energy: -110.707
tors. eta vs tors. theta energy: -202.277
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: 6, replica: 6
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -2345.134096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.134096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.451446 (E_RNA)
where:
Base-Base interactions energy: -1597.843
where: short stacking energy: -689.426
Base-Backbone interact. energy: 0.860
local terms energy: -750.468563
where:
bonds (distance) C4'-P energy: -157.698
bonds (distance) P-C4' energy: -140.952
flat angles C4'-P-C4' energy: -158.201
flat angles P-C4'-P energy: -94.358
tors. eta vs tors. theta energy: -199.260
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: 7, replica: 3
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -2266.908874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.908874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.787754 (E_RNA)
where:
Base-Base interactions energy: -1567.743
where: short stacking energy: -667.789
Base-Backbone interact. energy: -0.612
local terms energy: -700.432451
where:
bonds (distance) C4'-P energy: -133.751
bonds (distance) P-C4' energy: -128.259
flat angles C4'-P-C4' energy: -150.523
flat angles P-C4'-P energy: -99.267
tors. eta vs tors. theta energy: -188.633
Dist. restrs. and SS energy: 1.879 (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: 10
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -2042.821673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.821673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.787688 (E_RNA)
where:
Base-Base interactions energy: -1408.171
where: short stacking energy: -601.286
Base-Backbone interact. energy: -2.095
local terms energy: -635.521863
where:
bonds (distance) C4'-P energy: -107.684
bonds (distance) P-C4' energy: -149.205
flat angles C4'-P-C4' energy: -132.826
flat angles P-C4'-P energy: -74.292
tors. eta vs tors. theta energy: -171.515
Dist. restrs. and SS energy: 2.966 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -1998.595762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.595762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.374009 (E_RNA)
where:
Base-Base interactions energy: -1326.117
where: short stacking energy: -574.532
Base-Backbone interact. energy: -1.372
local terms energy: -675.884972
where:
bonds (distance) C4'-P energy: -126.024
bonds (distance) P-C4' energy: -137.566
flat angles C4'-P-C4' energy: -149.758
flat angles P-C4'-P energy: -94.393
tors. eta vs tors. theta energy: -168.144
Dist. restrs. and SS energy: 4.778 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -1856.137748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.137748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.057442 (E_RNA)
where:
Base-Base interactions energy: -1278.884
where: short stacking energy: -548.129
Base-Backbone interact. energy: -1.255
local terms energy: -578.918015
where:
bonds (distance) C4'-P energy: -96.822
bonds (distance) P-C4' energy: -134.561
flat angles C4'-P-C4' energy: -138.469
flat angles P-C4'-P energy: -79.107
tors. eta vs tors. theta energy: -129.959
Dist. restrs. and SS energy: 2.920 (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: 9
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -2992.947329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2992.947329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2994.385985 (E_RNA)
where:
Base-Base interactions energy: -2074.548
where: short stacking energy: -880.658
Base-Backbone interact. energy: -1.432
local terms energy: -918.406784
where:
bonds (distance) C4'-P energy: -162.701
bonds (distance) P-C4' energy: -166.933
flat angles C4'-P-C4' energy: -189.203
flat angles P-C4'-P energy: -140.574
tors. eta vs tors. theta energy: -258.995
Dist. restrs. and SS energy: 1.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -2857.394207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2857.394207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2859.125203 (E_RNA)
where:
Base-Base interactions energy: -1984.321
where: short stacking energy: -844.733
Base-Backbone interact. energy: -2.466
local terms energy: -872.337913
where:
bonds (distance) C4'-P energy: -152.715
bonds (distance) P-C4' energy: -164.846
flat angles C4'-P-C4' energy: -183.381
flat angles P-C4'-P energy: -124.667
tors. eta vs tors. theta energy: -246.730
Dist. restrs. and SS energy: 1.731 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -2806.827668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.827668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.513006 (E_RNA)
where:
Base-Base interactions energy: -1969.308
where: short stacking energy: -807.264
Base-Backbone interact. energy: 2.000
local terms energy: -841.205344
where:
bonds (distance) C4'-P energy: -150.343
bonds (distance) P-C4' energy: -149.396
flat angles C4'-P-C4' energy: -179.749
flat angles P-C4'-P energy: -119.117
tors. eta vs tors. theta energy: -242.600
Dist. restrs. and SS energy: 1.685 (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: 4
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -2620.644729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.644729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.357889 (E_RNA)
where:
Base-Base interactions energy: -1850.255
where: short stacking energy: -740.808
Base-Backbone interact. energy: 3.152
local terms energy: -775.255310
where:
bonds (distance) C4'-P energy: -132.014
bonds (distance) P-C4' energy: -164.217
flat angles C4'-P-C4' energy: -156.618
flat angles P-C4'-P energy: -113.909
tors. eta vs tors. theta energy: -208.498
Dist. restrs. and SS energy: 1.713 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -2428.694875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.694875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.744029 (E_RNA)
where:
Base-Base interactions energy: -1643.544
where: short stacking energy: -706.986
Base-Backbone interact. energy: -0.118
local terms energy: -787.082122
where:
bonds (distance) C4'-P energy: -158.976
bonds (distance) P-C4' energy: -159.692
flat angles C4'-P-C4' energy: -143.308
flat angles P-C4'-P energy: -120.379
tors. eta vs tors. theta energy: -204.726
Dist. restrs. and SS energy: 2.049 (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: 8
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -2333.324278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.324278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.665958 (E_RNA)
where:
Base-Base interactions energy: -1584.185
where: short stacking energy: -665.682
Base-Backbone interact. energy: 1.539
local terms energy: -753.019794
where:
bonds (distance) C4'-P energy: -133.648
bonds (distance) P-C4' energy: -139.920
flat angles C4'-P-C4' energy: -163.226
flat angles P-C4'-P energy: -115.059
tors. eta vs tors. theta energy: -201.167
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: 7, replica: 3
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -2251.597559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.597559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.910844 (E_RNA)
where:
Base-Base interactions energy: -1543.117
where: short stacking energy: -655.560
Base-Backbone interact. energy: 2.974
local terms energy: -713.768291
where:
bonds (distance) C4'-P energy: -131.543
bonds (distance) P-C4' energy: -145.393
flat angles C4'-P-C4' energy: -150.255
flat angles P-C4'-P energy: -99.282
tors. eta vs tors. theta energy: -187.296
Dist. restrs. and SS energy: 2.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -2008.400069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.400069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.932826 (E_RNA)
where:
Base-Base interactions energy: -1357.919
where: short stacking energy: -574.993
Base-Backbone interact. energy: -1.065
local terms energy: -651.948218
where:
bonds (distance) C4'-P energy: -124.549
bonds (distance) P-C4' energy: -127.433
flat angles C4'-P-C4' energy: -154.752
flat angles P-C4'-P energy: -89.373
tors. eta vs tors. theta energy: -155.842
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: 9, replica: 2
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -1933.147075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.147075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.317240 (E_RNA)
where:
Base-Base interactions energy: -1307.617
where: short stacking energy: -573.529
Base-Backbone interact. energy: 3.768
local terms energy: -633.468522
where:
bonds (distance) C4'-P energy: -128.134
bonds (distance) P-C4' energy: -130.190
flat angles C4'-P-C4' energy: -132.274
flat angles P-C4'-P energy: -94.636
tors. eta vs tors. theta energy: -148.235
Dist. restrs. and SS energy: 4.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -1879.563358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.563358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.792239 (E_RNA)
where:
Base-Base interactions energy: -1275.139
where: short stacking energy: -527.636
Base-Backbone interact. energy: 2.021
local terms energy: -609.673337
where:
bonds (distance) C4'-P energy: -120.471
bonds (distance) P-C4' energy: -136.682
flat angles C4'-P-C4' energy: -150.730
flat angles P-C4'-P energy: -75.148
tors. eta vs tors. theta energy: -126.642
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: 1, replica: 9
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -3005.827018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3005.827018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3006.995659 (E_RNA)
where:
Base-Base interactions energy: -2091.075
where: short stacking energy: -889.973
Base-Backbone interact. energy: -4.977
local terms energy: -910.943614
where:
bonds (distance) C4'-P energy: -156.425
bonds (distance) P-C4' energy: -171.356
flat angles C4'-P-C4' energy: -189.388
flat angles P-C4'-P energy: -133.674
tors. eta vs tors. theta energy: -260.100
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: 2, replica: 5
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -2858.243760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2858.243760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2859.969654 (E_RNA)
where:
Base-Base interactions energy: -1972.433
where: short stacking energy: -826.935
Base-Backbone interact. energy: -4.182
local terms energy: -883.355556
where:
bonds (distance) C4'-P energy: -168.296
bonds (distance) P-C4' energy: -162.541
flat angles C4'-P-C4' energy: -178.838
flat angles P-C4'-P energy: -124.565
tors. eta vs tors. theta energy: -249.115
Dist. restrs. and SS energy: 1.726 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -2776.003451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.003451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.917965 (E_RNA)
where:
Base-Base interactions energy: -1955.150
where: short stacking energy: -817.380
Base-Backbone interact. energy: -1.271
local terms energy: -821.496564
where:
bonds (distance) C4'-P energy: -148.325
bonds (distance) P-C4' energy: -143.981
flat angles C4'-P-C4' energy: -189.190
flat angles P-C4'-P energy: -106.241
tors. eta vs tors. theta energy: -233.760
Dist. restrs. and SS energy: 1.915 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -2562.551278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.551278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.533140 (E_RNA)
where:
Base-Base interactions energy: -1789.384
where: short stacking energy: -746.113
Base-Backbone interact. energy: -0.936
local terms energy: -774.212844
where:
bonds (distance) C4'-P energy: -130.990
bonds (distance) P-C4' energy: -155.699
flat angles C4'-P-C4' energy: -170.688
flat angles P-C4'-P energy: -106.671
tors. eta vs tors. theta energy: -210.165
Dist. restrs. and SS energy: 1.982 (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: 485
Temperature: 1.100000
Total energy: -2372.068728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.068728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.261706 (E_RNA)
where:
Base-Base interactions energy: -1615.531
where: short stacking energy: -718.739
Base-Backbone interact. energy: 4.202
local terms energy: -763.932718
where:
bonds (distance) C4'-P energy: -153.858
bonds (distance) P-C4' energy: -148.224
flat angles C4'-P-C4' energy: -168.324
flat angles P-C4'-P energy: -88.122
tors. eta vs tors. theta energy: -205.405
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: 6, replica: 3
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -2292.416505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.416505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.187922 (E_RNA)
where:
Base-Base interactions energy: -1591.959
where: short stacking energy: -656.445
Base-Backbone interact. energy: -1.886
local terms energy: -699.342474
where:
bonds (distance) C4'-P energy: -134.631
bonds (distance) P-C4' energy: -139.022
flat angles C4'-P-C4' energy: -154.441
flat angles P-C4'-P energy: -91.937
tors. eta vs tors. theta energy: -179.311
Dist. restrs. and SS energy: 0.771 (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: 8
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -2192.904081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.904081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.859715 (E_RNA)
where:
Base-Base interactions energy: -1484.831
where: short stacking energy: -607.294
Base-Backbone interact. energy: 0.240
local terms energy: -713.268323
where:
bonds (distance) C4'-P energy: -151.441
bonds (distance) P-C4' energy: -133.551
flat angles C4'-P-C4' energy: -151.049
flat angles P-C4'-P energy: -103.016
tors. eta vs tors. theta energy: -174.212
Dist. restrs. and SS energy: 4.956 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -2009.810750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.810750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.415375 (E_RNA)
where:
Base-Base interactions energy: -1363.230
where: short stacking energy: -579.383
Base-Backbone interact. energy: 6.104
local terms energy: -656.289500
where:
bonds (distance) C4'-P energy: -123.056
bonds (distance) P-C4' energy: -155.955
flat angles C4'-P-C4' energy: -146.204
flat angles P-C4'-P energy: -86.151
tors. eta vs tors. theta energy: -144.923
Dist. restrs. and SS energy: 3.605 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -1955.944745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.944745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.261879 (E_RNA)
where:
Base-Base interactions energy: -1338.362
where: short stacking energy: -564.277
Base-Backbone interact. energy: 6.280
local terms energy: -627.179188
where:
bonds (distance) C4'-P energy: -131.580
bonds (distance) P-C4' energy: -137.201
flat angles C4'-P-C4' energy: -146.641
flat angles P-C4'-P energy: -71.481
tors. eta vs tors. theta energy: -140.276
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: 10, replica: 1
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -1832.829220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.829220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.162146 (E_RNA)
where:
Base-Base interactions energy: -1226.961
where: short stacking energy: -504.816
Base-Backbone interact. energy: -0.499
local terms energy: -608.702375
where:
bonds (distance) C4'-P energy: -118.309
bonds (distance) P-C4' energy: -151.141
flat angles C4'-P-C4' energy: -118.971
flat angles P-C4'-P energy: -92.810
tors. eta vs tors. theta energy: -127.472
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: 1, replica: 9
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -3001.704192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3001.704192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3003.197236 (E_RNA)
where:
Base-Base interactions energy: -2094.199
where: short stacking energy: -873.101
Base-Backbone interact. energy: -3.067
local terms energy: -905.931388
where:
bonds (distance) C4'-P energy: -176.044
bonds (distance) P-C4' energy: -136.662
flat angles C4'-P-C4' energy: -194.176
flat angles P-C4'-P energy: -138.098
tors. eta vs tors. theta energy: -260.951
Dist. restrs. and SS energy: 1.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -2849.460057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2849.460057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2850.716882 (E_RNA)
where:
Base-Base interactions energy: -1996.308
where: short stacking energy: -832.517
Base-Backbone interact. energy: 3.306
local terms energy: -857.714857
where:
bonds (distance) C4'-P energy: -160.886
bonds (distance) P-C4' energy: -154.790
flat angles C4'-P-C4' energy: -173.655
flat angles P-C4'-P energy: -128.092
tors. eta vs tors. theta energy: -240.293
Dist. restrs. and SS energy: 1.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -2772.011192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2772.011192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.761753 (E_RNA)
where:
Base-Base interactions energy: -1972.457
where: short stacking energy: -771.963
Base-Backbone interact. energy: 3.735
local terms energy: -806.039197
where:
bonds (distance) C4'-P energy: -158.053
bonds (distance) P-C4' energy: -146.401
flat angles C4'-P-C4' energy: -169.440
flat angles P-C4'-P energy: -108.348
tors. eta vs tors. theta energy: -223.798
Dist. restrs. and SS energy: 2.751 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -2567.090566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.090566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.380506 (E_RNA)
where:
Base-Base interactions energy: -1814.232
where: short stacking energy: -735.866
Base-Backbone interact. energy: -0.562
local terms energy: -753.586439
where:
bonds (distance) C4'-P energy: -142.305
bonds (distance) P-C4' energy: -132.802
flat angles C4'-P-C4' energy: -170.519
flat angles P-C4'-P energy: -105.130
tors. eta vs tors. theta energy: -202.831
Dist. restrs. and SS energy: 1.290 (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: 6
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -2379.484556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.484556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.138292 (E_RNA)
where:
Base-Base interactions energy: -1595.241
where: short stacking energy: -691.961
Base-Backbone interact. energy: -0.407
local terms energy: -785.490391
where:
bonds (distance) C4'-P energy: -157.527
bonds (distance) P-C4' energy: -155.380
flat angles C4'-P-C4' energy: -164.945
flat angles P-C4'-P energy: -101.075
tors. eta vs tors. theta energy: -206.564
Dist. restrs. and SS energy: 1.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -2292.190639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.190639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.522741 (E_RNA)
where:
Base-Base interactions energy: -1550.371
where: short stacking energy: -666.007
Base-Backbone interact. energy: 0.791
local terms energy: -743.942527
where:
bonds (distance) C4'-P energy: -149.403
bonds (distance) P-C4' energy: -150.774
flat angles C4'-P-C4' energy: -165.166
flat angles P-C4'-P energy: -90.299
tors. eta vs tors. theta energy: -188.301
Dist. restrs. and SS energy: 1.332 (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: 8
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -2150.203257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.203257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.006253 (E_RNA)
where:
Base-Base interactions energy: -1461.441
where: short stacking energy: -589.418
Base-Backbone interact. energy: -1.036
local terms energy: -690.528501
where:
bonds (distance) C4'-P energy: -141.570
bonds (distance) P-C4' energy: -125.367
flat angles C4'-P-C4' energy: -160.111
flat angles P-C4'-P energy: -91.161
tors. eta vs tors. theta energy: -172.320
Dist. restrs. and SS energy: 2.803 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -2043.803639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.803639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.429739 (E_RNA)
where:
Base-Base interactions energy: -1387.694
where: short stacking energy: -585.975
Base-Backbone interact. energy: -1.614
local terms energy: -658.122103
where:
bonds (distance) C4'-P energy: -124.784
bonds (distance) P-C4' energy: -141.753
flat angles C4'-P-C4' energy: -143.806
flat angles P-C4'-P energy: -93.675
tors. eta vs tors. theta energy: -154.104
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: 9, replica: 2
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -1982.906010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.906010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.871014 (E_RNA)
where:
Base-Base interactions energy: -1333.184
where: short stacking energy: -561.514
Base-Backbone interact. energy: 0.865
local terms energy: -653.551689
where:
bonds (distance) C4'-P energy: -129.529
bonds (distance) P-C4' energy: -148.325
flat angles C4'-P-C4' energy: -140.977
flat angles P-C4'-P energy: -90.718
tors. eta vs tors. theta energy: -144.003
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: 10, replica: 1
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -1867.921481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.921481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.339317 (E_RNA)
where:
Base-Base interactions energy: -1304.271
where: short stacking energy: -551.267
Base-Backbone interact. energy: 7.356
local terms energy: -573.423774
where:
bonds (distance) C4'-P energy: -104.200
bonds (distance) P-C4' energy: -120.222
flat angles C4'-P-C4' energy: -141.609
flat angles P-C4'-P energy: -93.140
tors. eta vs tors. theta energy: -114.252
Dist. restrs. and SS energy: 2.418 (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: 9
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -2988.526218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2988.526218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2989.757274 (E_RNA)
where:
Base-Base interactions energy: -2079.260
where: short stacking energy: -877.873
Base-Backbone interact. energy: -6.629
local terms energy: -903.868106
where:
bonds (distance) C4'-P energy: -158.081
bonds (distance) P-C4' energy: -179.408
flat angles C4'-P-C4' energy: -172.251
flat angles P-C4'-P energy: -132.808
tors. eta vs tors. theta energy: -261.319
Dist. restrs. and SS energy: 1.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -2866.370813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2866.370813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2867.399320 (E_RNA)
where:
Base-Base interactions energy: -2027.969
where: short stacking energy: -846.412
Base-Backbone interact. energy: -0.370
local terms energy: -839.060060
where:
bonds (distance) C4'-P energy: -139.421
bonds (distance) P-C4' energy: -149.645
flat angles C4'-P-C4' energy: -178.047
flat angles P-C4'-P energy: -124.307
tors. eta vs tors. theta energy: -247.640
Dist. restrs. and SS energy: 1.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -2776.993371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.993371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.528280 (E_RNA)
where:
Base-Base interactions energy: -1949.653
where: short stacking energy: -782.498
Base-Backbone interact. energy: -1.929
local terms energy: -826.945738
where:
bonds (distance) C4'-P energy: -125.847
bonds (distance) P-C4' energy: -157.560
flat angles C4'-P-C4' energy: -188.020
flat angles P-C4'-P energy: -115.133
tors. eta vs tors. theta energy: -240.386
Dist. restrs. and SS energy: 1.535 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -2591.261980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.261980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.482420 (E_RNA)
where:
Base-Base interactions energy: -1814.302
where: short stacking energy: -723.250
Base-Backbone interact. energy: 6.419
local terms energy: -785.599594
where:
bonds (distance) C4'-P energy: -144.684
bonds (distance) P-C4' energy: -151.197
flat angles C4'-P-C4' energy: -176.687
flat angles P-C4'-P energy: -116.432
tors. eta vs tors. theta energy: -196.600
Dist. restrs. and SS energy: 2.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -2369.139947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.139947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.899132 (E_RNA)
where:
Base-Base interactions energy: -1594.893
where: short stacking energy: -707.226
Base-Backbone interact. energy: 0.457
local terms energy: -777.463104
where:
bonds (distance) C4'-P energy: -139.743
bonds (distance) P-C4' energy: -159.142
flat angles C4'-P-C4' energy: -166.397
flat angles P-C4'-P energy: -91.549
tors. eta vs tors. theta energy: -220.632
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: 6, replica: 3
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -2309.683496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.683496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.121278 (E_RNA)
where:
Base-Base interactions energy: -1578.183
where: short stacking energy: -668.032
Base-Backbone interact. energy: -3.674
local terms energy: -730.264051
where:
bonds (distance) C4'-P energy: -134.040
bonds (distance) P-C4' energy: -136.655
flat angles C4'-P-C4' energy: -157.340
flat angles P-C4'-P energy: -94.461
tors. eta vs tors. theta energy: -207.769
Dist. restrs. and SS energy: 2.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -2197.540290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.540290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.654474 (E_RNA)
where:
Base-Base interactions energy: -1506.368
where: short stacking energy: -653.133
Base-Backbone interact. energy: -2.349
local terms energy: -690.936737
where:
bonds (distance) C4'-P energy: -117.479
bonds (distance) P-C4' energy: -147.745
flat angles C4'-P-C4' energy: -156.560
flat angles P-C4'-P energy: -94.767
tors. eta vs tors. theta energy: -174.386
Dist. restrs. and SS energy: 2.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -2012.439028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.439028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.095726 (E_RNA)
where:
Base-Base interactions energy: -1361.460
where: short stacking energy: -584.856
Base-Backbone interact. energy: -2.507
local terms energy: -651.128560
where:
bonds (distance) C4'-P energy: -140.459
bonds (distance) P-C4' energy: -132.943
flat angles C4'-P-C4' energy: -136.241
flat angles P-C4'-P energy: -89.610
tors. eta vs tors. theta energy: -151.876
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: 9, replica: 2
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -1911.717301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.717301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.079157 (E_RNA)
where:
Base-Base interactions energy: -1300.659
where: short stacking energy: -559.586
Base-Backbone interact. energy: 0.192
local terms energy: -613.612690
where:
bonds (distance) C4'-P energy: -120.743
bonds (distance) P-C4' energy: -123.042
flat angles C4'-P-C4' energy: -139.827
flat angles P-C4'-P energy: -76.518
tors. eta vs tors. theta energy: -153.483
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: 10, replica: 1
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -1853.825894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.825894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.841895 (E_RNA)
where:
Base-Base interactions energy: -1276.802
where: short stacking energy: -523.605
Base-Backbone interact. energy: 3.559
local terms energy: -582.599458
where:
bonds (distance) C4'-P energy: -127.264
bonds (distance) P-C4' energy: -128.603
flat angles C4'-P-C4' energy: -131.134
flat angles P-C4'-P energy: -65.186
tors. eta vs tors. theta energy: -130.412
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: 1, replica: 9
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -2986.664463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2986.664463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2987.337629 (E_RNA)
where:
Base-Base interactions energy: -2091.331
where: short stacking energy: -873.714
Base-Backbone interact. energy: 1.656
local terms energy: -897.662968
where:
bonds (distance) C4'-P energy: -150.461
bonds (distance) P-C4' energy: -170.319
flat angles C4'-P-C4' energy: -187.838
flat angles P-C4'-P energy: -126.425
tors. eta vs tors. theta energy: -262.619
Dist. restrs. and SS energy: 0.673 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -2873.641676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2873.641676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2875.929028 (E_RNA)
where:
Base-Base interactions energy: -1983.100
where: short stacking energy: -821.375
Base-Backbone interact. energy: -3.220
local terms energy: -889.608795
where:
bonds (distance) C4'-P energy: -161.252
bonds (distance) P-C4' energy: -169.059
flat angles C4'-P-C4' energy: -187.760
flat angles P-C4'-P energy: -117.983
tors. eta vs tors. theta energy: -253.556
Dist. restrs. and SS energy: 2.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -2768.946108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2768.946108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.347195 (E_RNA)
where:
Base-Base interactions energy: -1914.945
where: short stacking energy: -796.912
Base-Backbone interact. energy: 0.703
local terms energy: -856.105604
where:
bonds (distance) C4'-P energy: -152.886
bonds (distance) P-C4' energy: -159.487
flat angles C4'-P-C4' energy: -168.445
flat angles P-C4'-P energy: -131.648
tors. eta vs tors. theta energy: -243.640
Dist. restrs. and SS energy: 1.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -2585.750831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.750831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.928120 (E_RNA)
where:
Base-Base interactions energy: -1793.370
where: short stacking energy: -723.048
Base-Backbone interact. energy: -1.828
local terms energy: -791.729829
where:
bonds (distance) C4'-P energy: -156.572
bonds (distance) P-C4' energy: -148.828
flat angles C4'-P-C4' energy: -173.065
flat angles P-C4'-P energy: -105.110
tors. eta vs tors. theta energy: -208.155
Dist. restrs. and SS energy: 1.177 (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: 6
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -2443.679934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.679934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.933661 (E_RNA)
where:
Base-Base interactions energy: -1663.840
where: short stacking energy: -736.902
Base-Backbone interact. energy: 0.055
local terms energy: -782.148351
where:
bonds (distance) C4'-P energy: -149.258
bonds (distance) P-C4' energy: -140.928
flat angles C4'-P-C4' energy: -159.806
flat angles P-C4'-P energy: -112.042
tors. eta vs tors. theta energy: -220.114
Dist. restrs. and SS energy: 2.254 (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: 3
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -2300.006325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.006325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.474599 (E_RNA)
where:
Base-Base interactions energy: -1576.485
where: short stacking energy: -668.351
Base-Backbone interact. energy: -3.444
local terms energy: -723.546283
where:
bonds (distance) C4'-P energy: -128.928
bonds (distance) P-C4' energy: -137.094
flat angles C4'-P-C4' energy: -161.581
flat angles P-C4'-P energy: -103.708
tors. eta vs tors. theta energy: -192.236
Dist. restrs. and SS energy: 3.468 (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: 8
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -2215.220350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.220350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.480638 (E_RNA)
where:
Base-Base interactions energy: -1526.530
where: short stacking energy: -622.087
Base-Backbone interact. energy: 1.153
local terms energy: -691.103176
where:
bonds (distance) C4'-P energy: -132.593
bonds (distance) P-C4' energy: -142.451
flat angles C4'-P-C4' energy: -154.127
flat angles P-C4'-P energy: -89.246
tors. eta vs tors. theta energy: -172.686
Dist. restrs. and SS energy: 1.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -1985.612063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.612063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.917575 (E_RNA)
where:
Base-Base interactions energy: -1336.808
where: short stacking energy: -571.024
Base-Backbone interact. energy: -0.690
local terms energy: -650.419446
where:
bonds (distance) C4'-P energy: -137.363
bonds (distance) P-C4' energy: -141.939
flat angles C4'-P-C4' energy: -132.668
flat angles P-C4'-P energy: -91.467
tors. eta vs tors. theta energy: -146.983
Dist. restrs. and SS energy: 2.306 (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: 2
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -1909.512518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.512518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.946027 (E_RNA)
where:
Base-Base interactions energy: -1309.508
where: short stacking energy: -556.215
Base-Backbone interact. energy: 2.791
local terms energy: -605.228849
where:
bonds (distance) C4'-P energy: -125.306
bonds (distance) P-C4' energy: -113.763
flat angles C4'-P-C4' energy: -132.676
flat angles P-C4'-P energy: -85.576
tors. eta vs tors. theta energy: -147.908
Dist. restrs. and SS energy: 2.434 (S_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: 488
Temperature: 1.350000
Total energy: -1848.881294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.881294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.016981 (E_RNA)
where:
Base-Base interactions energy: -1237.399
where: short stacking energy: -520.130
Base-Backbone interact. energy: -2.494
local terms energy: -612.123740
where:
bonds (distance) C4'-P energy: -140.969
bonds (distance) P-C4' energy: -136.044
flat angles C4'-P-C4' energy: -140.144
flat angles P-C4'-P energy: -72.298
tors. eta vs tors. theta energy: -122.667
Dist. restrs. and SS energy: 3.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -2970.309926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2970.309926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2971.865915 (E_RNA)
where:
Base-Base interactions energy: -2069.978
where: short stacking energy: -870.685
Base-Backbone interact. energy: -5.217
local terms energy: -896.670839
where:
bonds (distance) C4'-P energy: -156.845
bonds (distance) P-C4' energy: -171.738
flat angles C4'-P-C4' energy: -187.955
flat angles P-C4'-P energy: -127.840
tors. eta vs tors. theta energy: -252.293
Dist. restrs. and SS energy: 1.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -2887.608080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2887.608080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2888.539807 (E_RNA)
where:
Base-Base interactions energy: -1993.451
where: short stacking energy: -833.022
Base-Backbone interact. energy: -0.873
local terms energy: -894.216068
where:
bonds (distance) C4'-P energy: -150.765
bonds (distance) P-C4' energy: -171.279
flat angles C4'-P-C4' energy: -192.054
flat angles P-C4'-P energy: -123.409
tors. eta vs tors. theta energy: -256.708
Dist. restrs. and SS energy: 0.932 (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: 7
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -2860.665558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2860.665558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2861.939774 (E_RNA)
where:
Base-Base interactions energy: -2008.124
where: short stacking energy: -810.171
Base-Backbone interact. energy: 4.222
local terms energy: -858.037979
where:
bonds (distance) C4'-P energy: -159.504
bonds (distance) P-C4' energy: -153.835
flat angles C4'-P-C4' energy: -182.640
flat angles P-C4'-P energy: -123.599
tors. eta vs tors. theta energy: -238.460
Dist. restrs. and SS energy: 1.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -2591.014386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.014386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.938222 (E_RNA)
where:
Base-Base interactions energy: -1827.337
where: short stacking energy: -735.306
Base-Backbone interact. energy: -5.808
local terms energy: -759.793022
where:
bonds (distance) C4'-P energy: -159.535
bonds (distance) P-C4' energy: -128.558
flat angles C4'-P-C4' energy: -164.252
flat angles P-C4'-P energy: -116.473
tors. eta vs tors. theta energy: -190.976
Dist. restrs. and SS energy: 1.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -2454.855752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.855752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.188403 (E_RNA)
where:
Base-Base interactions energy: -1689.288
where: short stacking energy: -698.112
Base-Backbone interact. energy: -3.018
local terms energy: -764.882586
where:
bonds (distance) C4'-P energy: -148.969
bonds (distance) P-C4' energy: -138.439
flat angles C4'-P-C4' energy: -156.300
flat angles P-C4'-P energy: -121.889
tors. eta vs tors. theta energy: -199.285
Dist. restrs. and SS energy: 2.333 (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: 3
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -2277.783189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.783189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.294914 (E_RNA)
where:
Base-Base interactions energy: -1574.445
where: short stacking energy: -666.595
Base-Backbone interact. energy: -2.258
local terms energy: -704.592166
where:
bonds (distance) C4'-P energy: -108.765
bonds (distance) P-C4' energy: -133.993
flat angles C4'-P-C4' energy: -173.410
flat angles P-C4'-P energy: -101.293
tors. eta vs tors. theta energy: -187.131
Dist. restrs. and SS energy: 3.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -2131.295517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.295517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.955779 (E_RNA)
where:
Base-Base interactions energy: -1480.972
where: short stacking energy: -640.301
Base-Backbone interact. energy: -1.936
local terms energy: -652.047820
where:
bonds (distance) C4'-P energy: -103.070
bonds (distance) P-C4' energy: -140.281
flat angles C4'-P-C4' energy: -154.327
flat angles P-C4'-P energy: -79.948
tors. eta vs tors. theta energy: -174.423
Dist. restrs. and SS energy: 3.660 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -2045.525900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.525900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.948224 (E_RNA)
where:
Base-Base interactions energy: -1393.928
where: short stacking energy: -611.031
Base-Backbone interact. energy: 2.930
local terms energy: -656.949631
where:
bonds (distance) C4'-P energy: -119.717
bonds (distance) P-C4' energy: -134.341
flat angles C4'-P-C4' energy: -157.255
flat angles P-C4'-P energy: -89.659
tors. eta vs tors. theta energy: -155.977
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: 9, replica: 2
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -1880.334558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.334558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.884175 (E_RNA)
where:
Base-Base interactions energy: -1279.700
where: short stacking energy: -538.777
Base-Backbone interact. energy: -0.297
local terms energy: -602.887292
where:
bonds (distance) C4'-P energy: -132.532
bonds (distance) P-C4' energy: -125.224
flat angles C4'-P-C4' energy: -154.772
flat angles P-C4'-P energy: -68.486
tors. eta vs tors. theta energy: -121.874
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: 10, replica: 1
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -1894.270258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.270258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.113959 (E_RNA)
where:
Base-Base interactions energy: -1292.849
where: short stacking energy: -535.658
Base-Backbone interact. energy: 1.058
local terms energy: -604.323022
where:
bonds (distance) C4'-P energy: -128.848
bonds (distance) P-C4' energy: -141.664
flat angles C4'-P-C4' energy: -133.882
flat angles P-C4'-P energy: -79.049
tors. eta vs tors. theta energy: -120.879
Dist. restrs. and SS energy: 1.844 (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: 9
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -2998.238569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2998.238569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2999.905345 (E_RNA)
where:
Base-Base interactions energy: -2115.524
where: short stacking energy: -887.694
Base-Backbone interact. energy: -0.255
local terms energy: -884.126913
where:
bonds (distance) C4'-P energy: -168.181
bonds (distance) P-C4' energy: -165.351
flat angles C4'-P-C4' energy: -180.449
flat angles P-C4'-P energy: -120.131
tors. eta vs tors. theta energy: -250.016
Dist. restrs. and SS energy: 1.667 (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: 490
Temperature: 0.950000
Total energy: -2886.847367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2886.847367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2890.162596 (E_RNA)
where:
Base-Base interactions energy: -2009.422
where: short stacking energy: -835.449
Base-Backbone interact. energy: -0.826
local terms energy: -879.915180
where:
bonds (distance) C4'-P energy: -158.357
bonds (distance) P-C4' energy: -153.155
flat angles C4'-P-C4' energy: -192.305
flat angles P-C4'-P energy: -120.496
tors. eta vs tors. theta energy: -255.602
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: 7
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -2798.711674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.711674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.885297 (E_RNA)
where:
Base-Base interactions energy: -1968.088
where: short stacking energy: -817.121
Base-Backbone interact. energy: -7.682
local terms energy: -826.114473
where:
bonds (distance) C4'-P energy: -145.931
bonds (distance) P-C4' energy: -157.291
flat angles C4'-P-C4' energy: -158.637
flat angles P-C4'-P energy: -118.942
tors. eta vs tors. theta energy: -245.314
Dist. restrs. and SS energy: 3.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -2564.273725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.273725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.656258 (E_RNA)
where:
Base-Base interactions energy: -1813.902
where: short stacking energy: -744.511
Base-Backbone interact. energy: -2.046
local terms energy: -750.707981
where:
bonds (distance) C4'-P energy: -135.420
bonds (distance) P-C4' energy: -138.925
flat angles C4'-P-C4' energy: -164.649
flat angles P-C4'-P energy: -117.359
tors. eta vs tors. theta energy: -194.355
Dist. restrs. and SS energy: 2.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -2461.901435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.901435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.756304 (E_RNA)
where:
Base-Base interactions energy: -1688.548
where: short stacking energy: -705.490
Base-Backbone interact. energy: -1.611
local terms energy: -773.597041
where:
bonds (distance) C4'-P energy: -146.889
bonds (distance) P-C4' energy: -142.919
flat angles C4'-P-C4' energy: -185.678
flat angles P-C4'-P energy: -97.725
tors. eta vs tors. theta energy: -200.386
Dist. restrs. and SS energy: 1.855 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -2303.726736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.726736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.552994 (E_RNA)
where:
Base-Base interactions energy: -1566.676
where: short stacking energy: -656.436
Base-Backbone interact. energy: -1.588
local terms energy: -737.289097
where:
bonds (distance) C4'-P energy: -137.361
bonds (distance) P-C4' energy: -145.904
flat angles C4'-P-C4' energy: -170.497
flat angles P-C4'-P energy: -105.160
tors. eta vs tors. theta energy: -178.367
Dist. restrs. and SS energy: 1.826 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -2201.583249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.583249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.478063 (E_RNA)
where:
Base-Base interactions energy: -1517.832
where: short stacking energy: -633.993
Base-Backbone interact. energy: -1.173
local terms energy: -687.472868
where:
bonds (distance) C4'-P energy: -130.283
bonds (distance) P-C4' energy: -126.119
flat angles C4'-P-C4' energy: -161.761
flat angles P-C4'-P energy: -95.580
tors. eta vs tors. theta energy: -173.730
Dist. restrs. and SS energy: 4.895 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -2000.034145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.034145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.999270 (E_RNA)
where:
Base-Base interactions energy: -1331.844
where: short stacking energy: -565.379
Base-Backbone interact. energy: 6.738
local terms energy: -677.893483
where:
bonds (distance) C4'-P energy: -150.808
bonds (distance) P-C4' energy: -142.512
flat angles C4'-P-C4' energy: -144.855
flat angles P-C4'-P energy: -79.908
tors. eta vs tors. theta energy: -159.811
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: 9, replica: 2
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -1908.776075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.776075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.007926 (E_RNA)
where:
Base-Base interactions energy: -1290.493
where: short stacking energy: -538.614
Base-Backbone interact. energy: 0.448
local terms energy: -622.962696
where:
bonds (distance) C4'-P energy: -118.164
bonds (distance) P-C4' energy: -143.684
flat angles C4'-P-C4' energy: -137.338
flat angles P-C4'-P energy: -96.267
tors. eta vs tors. theta energy: -127.510
Dist. restrs. and SS energy: 4.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -1860.123050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.123050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.247457 (E_RNA)
where:
Base-Base interactions energy: -1274.092
where: short stacking energy: -516.521
Base-Backbone interact. energy: -2.238
local terms energy: -586.918129
where:
bonds (distance) C4'-P energy: -114.964
bonds (distance) P-C4' energy: -114.592
flat angles C4'-P-C4' energy: -146.306
flat angles P-C4'-P energy: -79.004
tors. eta vs tors. theta energy: -132.052
Dist. restrs. and SS energy: 3.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -2991.521222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2991.521222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2992.471014 (E_RNA)
where:
Base-Base interactions energy: -2099.765
where: short stacking energy: -890.234
Base-Backbone interact. energy: -0.068
local terms energy: -892.638746
where:
bonds (distance) C4'-P energy: -156.568
bonds (distance) P-C4' energy: -157.820
flat angles C4'-P-C4' energy: -200.545
flat angles P-C4'-P energy: -114.914
tors. eta vs tors. theta energy: -262.792
Dist. restrs. and SS energy: 0.950 (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: 5
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -2865.423516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2865.423516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2868.055923 (E_RNA)
where:
Base-Base interactions energy: -2003.759
where: short stacking energy: -836.226
Base-Backbone interact. energy: -0.048
local terms energy: -864.248683
where:
bonds (distance) C4'-P energy: -146.544
bonds (distance) P-C4' energy: -166.459
flat angles C4'-P-C4' energy: -190.266
flat angles P-C4'-P energy: -113.322
tors. eta vs tors. theta energy: -247.658
Dist. restrs. and SS energy: 2.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -2812.046347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.046347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.476529 (E_RNA)
where:
Base-Base interactions energy: -1978.579
where: short stacking energy: -814.369
Base-Backbone interact. energy: -5.014
local terms energy: -830.882715
where:
bonds (distance) C4'-P energy: -137.133
bonds (distance) P-C4' energy: -149.860
flat angles C4'-P-C4' energy: -170.920
flat angles P-C4'-P energy: -127.674
tors. eta vs tors. theta energy: -245.295
Dist. restrs. and SS energy: 2.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -2580.611521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.611521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.814054 (E_RNA)
where:
Base-Base interactions energy: -1797.380
where: short stacking energy: -721.494
Base-Backbone interact. energy: -0.490
local terms energy: -783.943581
where:
bonds (distance) C4'-P energy: -151.679
bonds (distance) P-C4' energy: -143.763
flat angles C4'-P-C4' energy: -172.683
flat angles P-C4'-P energy: -122.862
tors. eta vs tors. theta energy: -192.957
Dist. restrs. and SS energy: 1.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -2420.095817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.095817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.398979 (E_RNA)
where:
Base-Base interactions energy: -1640.374
where: short stacking energy: -721.292
Base-Backbone interact. energy: 0.239
local terms energy: -782.263549
where:
bonds (distance) C4'-P energy: -149.608
bonds (distance) P-C4' energy: -129.136
flat angles C4'-P-C4' energy: -170.820
flat angles P-C4'-P energy: -117.734
tors. eta vs tors. theta energy: -214.966
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: 6, replica: 3
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -2298.249710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.249710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.180397 (E_RNA)
where:
Base-Base interactions energy: -1582.310
where: short stacking energy: -670.790
Base-Backbone interact. energy: 4.849
local terms energy: -722.718822
where:
bonds (distance) C4'-P energy: -118.988
bonds (distance) P-C4' energy: -153.822
flat angles C4'-P-C4' energy: -159.640
flat angles P-C4'-P energy: -106.592
tors. eta vs tors. theta energy: -183.678
Dist. restrs. and SS energy: 1.931 (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: 8
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -2182.869161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.869161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.746703 (E_RNA)
where:
Base-Base interactions energy: -1453.126
where: short stacking energy: -612.165
Base-Backbone interact. energy: -2.604
local terms energy: -731.017241
where:
bonds (distance) C4'-P energy: -124.008
bonds (distance) P-C4' energy: -154.938
flat angles C4'-P-C4' energy: -161.461
flat angles P-C4'-P energy: -110.279
tors. eta vs tors. theta energy: -180.331
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: 8, replica: 10
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -1996.254422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.254422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.404507 (E_RNA)
where:
Base-Base interactions energy: -1330.211
where: short stacking energy: -558.746
Base-Backbone interact. energy: 5.816
local terms energy: -674.009783
where:
bonds (distance) C4'-P energy: -144.464
bonds (distance) P-C4' energy: -144.245
flat angles C4'-P-C4' energy: -135.003
flat angles P-C4'-P energy: -90.005
tors. eta vs tors. theta energy: -160.292
Dist. restrs. and SS energy: 2.150 (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: 2
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -1872.636826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.636826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.760971 (E_RNA)
where:
Base-Base interactions energy: -1284.835
where: short stacking energy: -524.868
Base-Backbone interact. energy: 0.940
local terms energy: -590.866216
where:
bonds (distance) C4'-P energy: -117.656
bonds (distance) P-C4' energy: -138.572
flat angles C4'-P-C4' energy: -134.815
flat angles P-C4'-P energy: -83.594
tors. eta vs tors. theta energy: -116.229
Dist. restrs. and SS energy: 2.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -1805.372865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.372865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.885532 (E_RNA)
where:
Base-Base interactions energy: -1250.809
where: short stacking energy: -518.291
Base-Backbone interact. energy: -0.784
local terms energy: -557.292739
where:
bonds (distance) C4'-P energy: -117.025
bonds (distance) P-C4' energy: -126.324
flat angles C4'-P-C4' energy: -119.579
flat angles P-C4'-P energy: -71.669
tors. eta vs tors. theta energy: -122.696
Dist. restrs. and SS energy: 3.513 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -3020.458823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3020.458823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3021.229704 (E_RNA)
where:
Base-Base interactions energy: -2107.877
where: short stacking energy: -861.823
Base-Backbone interact. energy: -4.322
local terms energy: -909.031397
where:
bonds (distance) C4'-P energy: -168.218
bonds (distance) P-C4' energy: -171.308
flat angles C4'-P-C4' energy: -188.804
flat angles P-C4'-P energy: -124.355
tors. eta vs tors. theta energy: -256.347
Dist. restrs. and SS energy: 0.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -2859.985341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2859.985341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2862.418207 (E_RNA)
where:
Base-Base interactions energy: -1997.408
where: short stacking energy: -859.290
Base-Backbone interact. energy: 1.332
local terms energy: -866.342063
where:
bonds (distance) C4'-P energy: -146.823
bonds (distance) P-C4' energy: -160.139
flat angles C4'-P-C4' energy: -196.657
flat angles P-C4'-P energy: -108.502
tors. eta vs tors. theta energy: -254.220
Dist. restrs. and SS energy: 2.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -2790.355949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.355949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.002572 (E_RNA)
where:
Base-Base interactions energy: -1945.109
where: short stacking energy: -811.134
Base-Backbone interact. energy: -4.131
local terms energy: -844.762972
where:
bonds (distance) C4'-P energy: -150.112
bonds (distance) P-C4' energy: -146.589
flat angles C4'-P-C4' energy: -186.813
flat angles P-C4'-P energy: -116.047
tors. eta vs tors. theta energy: -245.203
Dist. restrs. and SS energy: 3.647 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -2594.349126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.349126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.033603 (E_RNA)
where:
Base-Base interactions energy: -1819.921
where: short stacking energy: -751.307
Base-Backbone interact. energy: -0.439
local terms energy: -775.673587
where:
bonds (distance) C4'-P energy: -151.351
bonds (distance) P-C4' energy: -139.325
flat angles C4'-P-C4' energy: -162.140
flat angles P-C4'-P energy: -123.089
tors. eta vs tors. theta energy: -199.768
Dist. restrs. and SS energy: 1.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -2475.055264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.055264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.022698 (E_RNA)
where:
Base-Base interactions energy: -1698.030
where: short stacking energy: -720.227
Base-Backbone interact. energy: -3.782
local terms energy: -777.210831
where:
bonds (distance) C4'-P energy: -123.409
bonds (distance) P-C4' energy: -156.266
flat angles C4'-P-C4' energy: -169.771
flat angles P-C4'-P energy: -123.215
tors. eta vs tors. theta energy: -204.550
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: 6, replica: 3
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -2301.825793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.825793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.708876 (E_RNA)
where:
Base-Base interactions energy: -1579.601
where: short stacking energy: -668.272
Base-Backbone interact. energy: 6.098
local terms energy: -730.205866
where:
bonds (distance) C4'-P energy: -126.175
bonds (distance) P-C4' energy: -144.474
flat angles C4'-P-C4' energy: -171.476
flat angles P-C4'-P energy: -108.026
tors. eta vs tors. theta energy: -180.056
Dist. restrs. and SS energy: 1.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -2239.295114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.295114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.587181 (E_RNA)
where:
Base-Base interactions energy: -1529.769
where: short stacking energy: -636.914
Base-Backbone interact. energy: -3.739
local terms energy: -708.080056
where:
bonds (distance) C4'-P energy: -118.007
bonds (distance) P-C4' energy: -126.808
flat angles C4'-P-C4' energy: -179.815
flat angles P-C4'-P energy: -93.096
tors. eta vs tors. theta energy: -190.354
Dist. restrs. and SS energy: 2.292 (S_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: 492
Temperature: 1.250000
Total energy: -2030.422740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.422740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.962952 (E_RNA)
where:
Base-Base interactions energy: -1356.483
where: short stacking energy: -560.496
Base-Backbone interact. energy: 3.723
local terms energy: -680.203127
where:
bonds (distance) C4'-P energy: -141.738
bonds (distance) P-C4' energy: -133.762
flat angles C4'-P-C4' energy: -166.921
flat angles P-C4'-P energy: -84.557
tors. eta vs tors. theta energy: -153.225
Dist. restrs. and SS energy: 2.540 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -1933.976955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.976955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.327175 (E_RNA)
where:
Base-Base interactions energy: -1304.023
where: short stacking energy: -542.423
Base-Backbone interact. energy: 1.860
local terms energy: -635.163592
where:
bonds (distance) C4'-P energy: -130.516
bonds (distance) P-C4' energy: -137.450
flat angles C4'-P-C4' energy: -129.786
flat angles P-C4'-P energy: -96.938
tors. eta vs tors. theta energy: -140.474
Dist. restrs. and SS energy: 3.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -1855.027129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.027129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.629203 (E_RNA)
where:
Base-Base interactions energy: -1253.015
where: short stacking energy: -549.116
Base-Backbone interact. energy: 2.441
local terms energy: -608.055289
where:
bonds (distance) C4'-P energy: -103.321
bonds (distance) P-C4' energy: -125.717
flat angles C4'-P-C4' energy: -148.545
flat angles P-C4'-P energy: -88.897
tors. eta vs tors. theta energy: -141.576
Dist. restrs. and SS energy: 3.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -2996.600236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2996.600236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2997.105318 (E_RNA)
where:
Base-Base interactions energy: -2095.568
where: short stacking energy: -865.460
Base-Backbone interact. energy: 2.529
local terms energy: -904.065700
where:
bonds (distance) C4'-P energy: -147.337
bonds (distance) P-C4' energy: -167.632
flat angles C4'-P-C4' energy: -188.061
flat angles P-C4'-P energy: -133.545
tors. eta vs tors. theta energy: -267.491
Dist. restrs. and SS energy: 0.505 (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: 5
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -2906.937530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2906.937530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2909.690278 (E_RNA)
where:
Base-Base interactions energy: -2026.897
where: short stacking energy: -838.465
Base-Backbone interact. energy: -1.417
local terms energy: -881.376081
where:
bonds (distance) C4'-P energy: -145.490
bonds (distance) P-C4' energy: -172.981
flat angles C4'-P-C4' energy: -184.384
flat angles P-C4'-P energy: -120.634
tors. eta vs tors. theta energy: -257.887
Dist. restrs. and SS energy: 2.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -2805.399013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.399013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.679635 (E_RNA)
where:
Base-Base interactions energy: -1999.678
where: short stacking energy: -815.369
Base-Backbone interact. energy: 3.395
local terms energy: -811.396358
where:
bonds (distance) C4'-P energy: -155.247
bonds (distance) P-C4' energy: -128.235
flat angles C4'-P-C4' energy: -177.952
flat angles P-C4'-P energy: -121.022
tors. eta vs tors. theta energy: -228.941
Dist. restrs. and SS energy: 2.281 (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: 4
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -2611.801007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.801007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.953003 (E_RNA)
where:
Base-Base interactions energy: -1817.079
where: short stacking energy: -740.601
Base-Backbone interact. energy: -2.386
local terms energy: -794.487541
where:
bonds (distance) C4'-P energy: -144.355
bonds (distance) P-C4' energy: -151.742
flat angles C4'-P-C4' energy: -167.480
flat angles P-C4'-P energy: -116.007
tors. eta vs tors. theta energy: -214.903
Dist. restrs. and SS energy: 2.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -2428.369989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.369989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.062679 (E_RNA)
where:
Base-Base interactions energy: -1654.911
where: short stacking energy: -695.234
Base-Backbone interact. energy: 2.540
local terms energy: -779.691146
where:
bonds (distance) C4'-P energy: -142.180
bonds (distance) P-C4' energy: -154.226
flat angles C4'-P-C4' energy: -165.362
flat angles P-C4'-P energy: -108.586
tors. eta vs tors. theta energy: -209.336
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: 6, replica: 3
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -2292.814821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.814821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.887572 (E_RNA)
where:
Base-Base interactions energy: -1542.876
where: short stacking energy: -656.976
Base-Backbone interact. energy: -0.289
local terms energy: -752.722537
where:
bonds (distance) C4'-P energy: -149.566
bonds (distance) P-C4' energy: -165.823
flat angles C4'-P-C4' energy: -158.789
flat angles P-C4'-P energy: -97.373
tors. eta vs tors. theta energy: -181.170
Dist. restrs. and SS energy: 3.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -2221.210933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.210933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.930245 (E_RNA)
where:
Base-Base interactions energy: -1522.528
where: short stacking energy: -643.567
Base-Backbone interact. energy: -0.701
local terms energy: -699.701182
where:
bonds (distance) C4'-P energy: -130.163
bonds (distance) P-C4' energy: -142.234
flat angles C4'-P-C4' energy: -154.527
flat angles P-C4'-P energy: -99.885
tors. eta vs tors. theta energy: -172.892
Dist. restrs. and SS energy: 1.719 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -1983.030618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.030618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.238465 (E_RNA)
where:
Base-Base interactions energy: -1347.362
where: short stacking energy: -566.530
Base-Backbone interact. energy: 0.850
local terms energy: -638.726872
where:
bonds (distance) C4'-P energy: -121.036
bonds (distance) P-C4' energy: -133.910
flat angles C4'-P-C4' energy: -147.200
flat angles P-C4'-P energy: -99.787
tors. eta vs tors. theta energy: -136.793
Dist. restrs. and SS energy: 2.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -1916.505147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.505147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.496295 (E_RNA)
where:
Base-Base interactions energy: -1299.503
where: short stacking energy: -528.344
Base-Backbone interact. energy: -1.241
local terms energy: -618.752490
where:
bonds (distance) C4'-P energy: -124.948
bonds (distance) P-C4' energy: -117.687
flat angles C4'-P-C4' energy: -139.476
flat angles P-C4'-P energy: -103.840
tors. eta vs tors. theta energy: -132.801
Dist. restrs. and SS energy: 2.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -1840.430740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.430740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.041468 (E_RNA)
where:
Base-Base interactions energy: -1300.147
where: short stacking energy: -518.889
Base-Backbone interact. energy: -1.799
local terms energy: -542.095445
where:
bonds (distance) C4'-P energy: -116.903
bonds (distance) P-C4' energy: -127.974
flat angles C4'-P-C4' energy: -110.272
flat angles P-C4'-P energy: -72.093
tors. eta vs tors. theta energy: -114.854
Dist. restrs. and SS energy: 3.611 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -2999.557256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2999.557256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3000.286531 (E_RNA)
where:
Base-Base interactions energy: -2109.609
where: short stacking energy: -887.083
Base-Backbone interact. energy: 1.732
local terms energy: -892.409903
where:
bonds (distance) C4'-P energy: -155.721
bonds (distance) P-C4' energy: -160.257
flat angles C4'-P-C4' energy: -180.889
flat angles P-C4'-P energy: -120.808
tors. eta vs tors. theta energy: -274.735
Dist. restrs. and SS energy: 0.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -2852.123801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2852.123801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2854.922609 (E_RNA)
where:
Base-Base interactions energy: -2014.828
where: short stacking energy: -845.513
Base-Backbone interact. energy: 7.768
local terms energy: -847.862310
where:
bonds (distance) C4'-P energy: -138.285
bonds (distance) P-C4' energy: -158.213
flat angles C4'-P-C4' energy: -167.550
flat angles P-C4'-P energy: -135.312
tors. eta vs tors. theta energy: -248.503
Dist. restrs. and SS energy: 2.799 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -2814.585044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.585044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.963047 (E_RNA)
where:
Base-Base interactions energy: -1978.892
where: short stacking energy: -811.782
Base-Backbone interact. energy: -4.663
local terms energy: -834.408266
where:
bonds (distance) C4'-P energy: -159.635
bonds (distance) P-C4' energy: -140.562
flat angles C4'-P-C4' energy: -172.094
flat angles P-C4'-P energy: -117.393
tors. eta vs tors. theta energy: -244.725
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: 4, replica: 4
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -2576.981676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.981676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.680775 (E_RNA)
where:
Base-Base interactions energy: -1791.390
where: short stacking energy: -699.921
Base-Backbone interact. energy: 0.290
local terms energy: -787.581006
where:
bonds (distance) C4'-P energy: -142.728
bonds (distance) P-C4' energy: -162.650
flat angles C4'-P-C4' energy: -170.394
flat angles P-C4'-P energy: -113.772
tors. eta vs tors. theta energy: -198.037
Dist. restrs. and SS energy: 1.699 (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: 6
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -2448.124298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.124298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.068449 (E_RNA)
where:
Base-Base interactions energy: -1683.174
where: short stacking energy: -703.426
Base-Backbone interact. energy: -2.418
local terms energy: -765.476672
where:
bonds (distance) C4'-P energy: -140.394
bonds (distance) P-C4' energy: -127.247
flat angles C4'-P-C4' energy: -171.329
flat angles P-C4'-P energy: -111.928
tors. eta vs tors. theta energy: -214.579
Dist. restrs. and SS energy: 2.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -2278.542736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.542736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.885954 (E_RNA)
where:
Base-Base interactions energy: -1574.640
where: short stacking energy: -645.995
Base-Backbone interact. energy: -2.247
local terms energy: -703.998782
where:
bonds (distance) C4'-P energy: -150.056
bonds (distance) P-C4' energy: -126.370
flat angles C4'-P-C4' energy: -159.305
flat angles P-C4'-P energy: -90.180
tors. eta vs tors. theta energy: -178.087
Dist. restrs. and SS energy: 2.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -2303.426234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.426234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.493402 (E_RNA)
where:
Base-Base interactions energy: -1597.701
where: short stacking energy: -685.188
Base-Backbone interact. energy: -1.543
local terms energy: -706.249494
where:
bonds (distance) C4'-P energy: -117.119
bonds (distance) P-C4' energy: -146.906
flat angles C4'-P-C4' energy: -156.442
flat angles P-C4'-P energy: -85.815
tors. eta vs tors. theta energy: -199.968
Dist. restrs. and SS energy: 2.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -1992.612971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.612971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.997498 (E_RNA)
where:
Base-Base interactions energy: -1350.868
where: short stacking energy: -574.688
Base-Backbone interact. energy: 5.202
local terms energy: -649.332104
where:
bonds (distance) C4'-P energy: -140.542
bonds (distance) P-C4' energy: -120.167
flat angles C4'-P-C4' energy: -143.116
flat angles P-C4'-P energy: -92.311
tors. eta vs tors. theta energy: -153.196
Dist. restrs. and SS energy: 2.385 (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: 10
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -1919.341689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.341689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.618377 (E_RNA)
where:
Base-Base interactions energy: -1309.317
where: short stacking energy: -552.029
Base-Backbone interact. energy: 8.048
local terms energy: -620.349397
where:
bonds (distance) C4'-P energy: -131.368
bonds (distance) P-C4' energy: -129.799
flat angles C4'-P-C4' energy: -123.626
flat angles P-C4'-P energy: -84.477
tors. eta vs tors. theta energy: -151.079
Dist. restrs. and SS energy: 2.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -1819.498122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.498122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.789334 (E_RNA)
where:
Base-Base interactions energy: -1232.826
where: short stacking energy: -521.222
Base-Backbone interact. energy: 2.176
local terms energy: -593.138930
where:
bonds (distance) C4'-P energy: -120.385
bonds (distance) P-C4' energy: -123.051
flat angles C4'-P-C4' energy: -137.954
flat angles P-C4'-P energy: -72.517
tors. eta vs tors. theta energy: -139.233
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: 1, replica: 9
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -3024.263543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3024.263543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3025.945308 (E_RNA)
where:
Base-Base interactions energy: -2125.776
where: short stacking energy: -875.791
Base-Backbone interact. energy: -4.866
local terms energy: -895.303176
where:
bonds (distance) C4'-P energy: -146.486
bonds (distance) P-C4' energy: -176.893
flat angles C4'-P-C4' energy: -188.349
flat angles P-C4'-P energy: -126.471
tors. eta vs tors. theta energy: -257.104
Dist. restrs. and SS energy: 1.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -2890.637666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2890.637666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2893.302770 (E_RNA)
where:
Base-Base interactions energy: -2027.762
where: short stacking energy: -828.507
Base-Backbone interact. energy: -4.491
local terms energy: -861.050349
where:
bonds (distance) C4'-P energy: -157.785
bonds (distance) P-C4' energy: -153.671
flat angles C4'-P-C4' energy: -178.043
flat angles P-C4'-P energy: -122.623
tors. eta vs tors. theta energy: -248.928
Dist. restrs. and SS energy: 2.665 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -2751.885077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.885077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2754.269361 (E_RNA)
where:
Base-Base interactions energy: -1901.703
where: short stacking energy: -827.062
Base-Backbone interact. energy: -2.017
local terms energy: -850.549081
where:
bonds (distance) C4'-P energy: -147.504
bonds (distance) P-C4' energy: -158.772
flat angles C4'-P-C4' energy: -185.588
flat angles P-C4'-P energy: -125.723
tors. eta vs tors. theta energy: -232.962
Dist. restrs. and SS energy: 2.384 (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: 4
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -2594.772449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.772449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.613157 (E_RNA)
where:
Base-Base interactions energy: -1809.477
where: short stacking energy: -739.255
Base-Backbone interact. energy: -3.655
local terms energy: -783.480858
where:
bonds (distance) C4'-P energy: -130.797
bonds (distance) P-C4' energy: -148.603
flat angles C4'-P-C4' energy: -169.379
flat angles P-C4'-P energy: -122.034
tors. eta vs tors. theta energy: -212.668
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: 5, replica: 6
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -2455.047847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.047847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.844078 (E_RNA)
where:
Base-Base interactions energy: -1666.162
where: short stacking energy: -707.656
Base-Backbone interact. energy: -3.251
local terms energy: -787.430529
where:
bonds (distance) C4'-P energy: -156.752
bonds (distance) P-C4' energy: -148.066
flat angles C4'-P-C4' energy: -172.632
flat angles P-C4'-P energy: -106.226
tors. eta vs tors. theta energy: -203.755
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: 6, replica: 3
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -2300.228605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.228605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.063383 (E_RNA)
where:
Base-Base interactions energy: -1552.995
where: short stacking energy: -683.771
Base-Backbone interact. energy: -1.354
local terms energy: -748.714942
where:
bonds (distance) C4'-P energy: -138.946
bonds (distance) P-C4' energy: -143.605
flat angles C4'-P-C4' energy: -167.419
flat angles P-C4'-P energy: -101.795
tors. eta vs tors. theta energy: -196.949
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: 7, replica: 8
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -2256.035647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.035647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.426155 (E_RNA)
where:
Base-Base interactions energy: -1558.288
where: short stacking energy: -652.963
Base-Backbone interact. energy: -4.085
local terms energy: -697.052973
where:
bonds (distance) C4'-P energy: -136.057
bonds (distance) P-C4' energy: -144.544
flat angles C4'-P-C4' energy: -156.318
flat angles P-C4'-P energy: -81.051
tors. eta vs tors. theta energy: -179.084
Dist. restrs. and SS energy: 3.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -2027.497851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.497851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.400045 (E_RNA)
where:
Base-Base interactions energy: -1373.006
where: short stacking energy: -587.146
Base-Backbone interact. energy: -0.813
local terms energy: -656.581120
where:
bonds (distance) C4'-P energy: -137.469
bonds (distance) P-C4' energy: -134.889
flat angles C4'-P-C4' energy: -149.947
flat angles P-C4'-P energy: -95.418
tors. eta vs tors. theta energy: -138.858
Dist. restrs. and SS energy: 2.902 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -1917.312286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.312286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.707283 (E_RNA)
where:
Base-Base interactions energy: -1292.387
where: short stacking energy: -539.764
Base-Backbone interact. energy: 3.470
local terms energy: -632.789738
where:
bonds (distance) C4'-P energy: -133.535
bonds (distance) P-C4' energy: -141.093
flat angles C4'-P-C4' energy: -142.891
flat angles P-C4'-P energy: -86.349
tors. eta vs tors. theta energy: -128.923
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: 10, replica: 2
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -1815.355373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.355373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.013357 (E_RNA)
where:
Base-Base interactions energy: -1232.841
where: short stacking energy: -511.879
Base-Backbone interact. energy: 1.364
local terms energy: -594.536413
where:
bonds (distance) C4'-P energy: -131.185
bonds (distance) P-C4' energy: -129.154
flat angles C4'-P-C4' energy: -140.455
flat angles P-C4'-P energy: -77.858
tors. eta vs tors. theta energy: -115.884
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: 1, replica: 9
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -3043.211554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3043.211554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3044.527107 (E_RNA)
where:
Base-Base interactions energy: -2121.368
where: short stacking energy: -881.057
Base-Backbone interact. energy: -1.758
local terms energy: -921.400541
where:
bonds (distance) C4'-P energy: -165.583
bonds (distance) P-C4' energy: -165.398
flat angles C4'-P-C4' energy: -182.018
flat angles P-C4'-P energy: -138.668
tors. eta vs tors. theta energy: -269.733
Dist. restrs. and SS energy: 1.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -2899.496154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2899.496154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2901.638504 (E_RNA)
where:
Base-Base interactions energy: -2031.125
where: short stacking energy: -840.718
Base-Backbone interact. energy: -2.397
local terms energy: -868.115947
where:
bonds (distance) C4'-P energy: -141.139
bonds (distance) P-C4' energy: -159.662
flat angles C4'-P-C4' energy: -182.096
flat angles P-C4'-P energy: -134.332
tors. eta vs tors. theta energy: -250.887
Dist. restrs. and SS energy: 2.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -2760.392649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2760.392649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2764.912283 (E_RNA)
where:
Base-Base interactions energy: -1904.723
where: short stacking energy: -806.098
Base-Backbone interact. energy: 2.628
local terms energy: -862.816804
where:
bonds (distance) C4'-P energy: -155.868
bonds (distance) P-C4' energy: -147.396
flat angles C4'-P-C4' energy: -193.399
flat angles P-C4'-P energy: -123.257
tors. eta vs tors. theta energy: -242.896
Dist. restrs. and SS energy: 4.520 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -2645.319659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.319659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.775294 (E_RNA)
where:
Base-Base interactions energy: -1844.520
where: short stacking energy: -756.514
Base-Backbone interact. energy: 1.150
local terms energy: -804.405967
where:
bonds (distance) C4'-P energy: -143.585
bonds (distance) P-C4' energy: -151.123
flat angles C4'-P-C4' energy: -182.479
flat angles P-C4'-P energy: -112.153
tors. eta vs tors. theta energy: -215.066
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: 5, replica: 6
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -2375.485254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.485254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.815268 (E_RNA)
where:
Base-Base interactions energy: -1619.763
where: short stacking energy: -687.137
Base-Backbone interact. energy: -2.966
local terms energy: -755.086443
where:
bonds (distance) C4'-P energy: -142.373
bonds (distance) P-C4' energy: -132.431
flat angles C4'-P-C4' energy: -170.935
flat angles P-C4'-P energy: -111.581
tors. eta vs tors. theta energy: -197.767
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: 6, replica: 3
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -2268.856092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.856092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.755692 (E_RNA)
where:
Base-Base interactions energy: -1537.661
where: short stacking energy: -655.934
Base-Backbone interact. energy: -2.378
local terms energy: -731.716713
where:
bonds (distance) C4'-P energy: -146.178
bonds (distance) P-C4' energy: -150.759
flat angles C4'-P-C4' energy: -156.044
flat angles P-C4'-P energy: -92.747
tors. eta vs tors. theta energy: -185.989
Dist. restrs. and SS energy: 2.900 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -2274.432168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.432168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.076915 (E_RNA)
where:
Base-Base interactions energy: -1573.950
where: short stacking energy: -666.975
Base-Backbone interact. energy: 0.951
local terms energy: -703.077406
where:
bonds (distance) C4'-P energy: -114.341
bonds (distance) P-C4' energy: -145.722
flat angles C4'-P-C4' energy: -165.268
flat angles P-C4'-P energy: -97.871
tors. eta vs tors. theta energy: -179.875
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: 8, replica: 1
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -2023.989922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.989922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.614748 (E_RNA)
where:
Base-Base interactions energy: -1378.878
where: short stacking energy: -583.145
Base-Backbone interact. energy: 1.289
local terms energy: -650.025526
where:
bonds (distance) C4'-P energy: -117.121
bonds (distance) P-C4' energy: -130.217
flat angles C4'-P-C4' energy: -153.170
flat angles P-C4'-P energy: -95.171
tors. eta vs tors. theta energy: -154.346
Dist. restrs. and SS energy: 3.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -1945.582650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.582650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.219775 (E_RNA)
where:
Base-Base interactions energy: -1334.727
where: short stacking energy: -556.463
Base-Backbone interact. energy: 6.266
local terms energy: -625.758364
where:
bonds (distance) C4'-P energy: -112.395
bonds (distance) P-C4' energy: -143.812
flat angles C4'-P-C4' energy: -132.335
flat angles P-C4'-P energy: -89.693
tors. eta vs tors. theta energy: -147.522
Dist. restrs. and SS energy: 8.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -1880.251511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.251511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.152312 (E_RNA)
where:
Base-Base interactions energy: -1280.916
where: short stacking energy: -530.430
Base-Backbone interact. energy: -1.775
local terms energy: -602.461356
where:
bonds (distance) C4'-P energy: -136.174
bonds (distance) P-C4' energy: -102.083
flat angles C4'-P-C4' energy: -139.361
flat angles P-C4'-P energy: -89.833
tors. eta vs tors. theta energy: -135.010
Dist. restrs. and SS energy: 4.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -3002.735102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3002.735102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3003.645276 (E_RNA)
where:
Base-Base interactions energy: -2091.765
where: short stacking energy: -872.137
Base-Backbone interact. energy: 1.748
local terms energy: -913.627515
where:
bonds (distance) C4'-P energy: -171.130
bonds (distance) P-C4' energy: -159.241
flat angles C4'-P-C4' energy: -191.021
flat angles P-C4'-P energy: -127.901
tors. eta vs tors. theta energy: -264.336
Dist. restrs. and SS energy: 0.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -2853.571225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2853.571225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2856.093532 (E_RNA)
where:
Base-Base interactions energy: -1979.186
where: short stacking energy: -802.536
Base-Backbone interact. energy: -5.597
local terms energy: -871.310989
where:
bonds (distance) C4'-P energy: -159.335
bonds (distance) P-C4' energy: -160.177
flat angles C4'-P-C4' energy: -184.106
flat angles P-C4'-P energy: -122.018
tors. eta vs tors. theta energy: -245.675
Dist. restrs. and SS energy: 2.522 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -2749.423146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2749.423146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2751.799651 (E_RNA)
where:
Base-Base interactions energy: -1896.657
where: short stacking energy: -776.931
Base-Backbone interact. energy: -5.247
local terms energy: -849.895359
where:
bonds (distance) C4'-P energy: -141.833
bonds (distance) P-C4' energy: -156.232
flat angles C4'-P-C4' energy: -182.940
flat angles P-C4'-P energy: -127.729
tors. eta vs tors. theta energy: -241.162
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: 4, replica: 4
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -2560.366608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.366608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.562564 (E_RNA)
where:
Base-Base interactions energy: -1801.840
where: short stacking energy: -723.330
Base-Backbone interact. energy: 0.983
local terms energy: -760.705580
where:
bonds (distance) C4'-P energy: -139.246
bonds (distance) P-C4' energy: -143.927
flat angles C4'-P-C4' energy: -157.116
flat angles P-C4'-P energy: -117.441
tors. eta vs tors. theta energy: -202.976
Dist. restrs. and SS energy: 1.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -2394.935951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.935951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.511442 (E_RNA)
where:
Base-Base interactions energy: -1647.802
where: short stacking energy: -700.794
Base-Backbone interact. energy: 3.383
local terms energy: -753.092474
where:
bonds (distance) C4'-P energy: -125.308
bonds (distance) P-C4' energy: -140.195
flat angles C4'-P-C4' energy: -170.768
flat angles P-C4'-P energy: -113.209
tors. eta vs tors. theta energy: -203.612
Dist. restrs. and SS energy: 2.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -2345.778184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.778184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.596588 (E_RNA)
where:
Base-Base interactions energy: -1606.247
where: short stacking energy: -694.491
Base-Backbone interact. energy: -3.971
local terms energy: -738.379118
where:
bonds (distance) C4'-P energy: -127.835
bonds (distance) P-C4' energy: -160.590
flat angles C4'-P-C4' energy: -156.218
flat angles P-C4'-P energy: -96.157
tors. eta vs tors. theta energy: -197.579
Dist. restrs. and SS energy: 2.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -2201.864228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.864228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.930513 (E_RNA)
where:
Base-Base interactions energy: -1490.163
where: short stacking energy: -638.930
Base-Backbone interact. energy: 4.046
local terms energy: -716.812900
where:
bonds (distance) C4'-P energy: -143.078
bonds (distance) P-C4' energy: -151.684
flat angles C4'-P-C4' energy: -161.295
flat angles P-C4'-P energy: -91.807
tors. eta vs tors. theta energy: -168.950
Dist. restrs. and SS energy: 1.066 (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: 1
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -2033.026075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.026075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.782937 (E_RNA)
where:
Base-Base interactions energy: -1377.412
where: short stacking energy: -574.645
Base-Backbone interact. energy: 3.249
local terms energy: -660.619280
where:
bonds (distance) C4'-P energy: -127.588
bonds (distance) P-C4' energy: -151.055
flat angles C4'-P-C4' energy: -138.893
flat angles P-C4'-P energy: -99.031
tors. eta vs tors. theta energy: -144.052
Dist. restrs. and SS energy: 1.757 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -1904.934623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.934623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.848853 (E_RNA)
where:
Base-Base interactions energy: -1262.374
where: short stacking energy: -496.448
Base-Backbone interact. energy: -0.516
local terms energy: -646.959053
where:
bonds (distance) C4'-P energy: -121.447
bonds (distance) P-C4' energy: -150.702
flat angles C4'-P-C4' energy: -140.754
flat angles P-C4'-P energy: -99.027
tors. eta vs tors. theta energy: -135.029
Dist. restrs. and SS energy: 4.914 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -1901.137983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.137983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.930162 (E_RNA)
where:
Base-Base interactions energy: -1313.045
where: short stacking energy: -548.236
Base-Backbone interact. energy: 5.255
local terms energy: -597.140119
where:
bonds (distance) C4'-P energy: -127.007
bonds (distance) P-C4' energy: -139.759
flat angles C4'-P-C4' energy: -147.051
flat angles P-C4'-P energy: -63.972
tors. eta vs tors. theta energy: -119.351
Dist. restrs. and SS energy: 3.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -3003.986047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3003.986047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3005.286563 (E_RNA)
where:
Base-Base interactions energy: -2096.195
where: short stacking energy: -857.912
Base-Backbone interact. energy: -3.287
local terms energy: -905.804701
where:
bonds (distance) C4'-P energy: -161.717
bonds (distance) P-C4' energy: -171.245
flat angles C4'-P-C4' energy: -188.701
flat angles P-C4'-P energy: -121.712
tors. eta vs tors. theta energy: -262.430
Dist. restrs. and SS energy: 1.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -2881.751727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2881.751727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2883.810711 (E_RNA)
where:
Base-Base interactions energy: -2010.886
where: short stacking energy: -839.537
Base-Backbone interact. energy: 1.247
local terms energy: -874.172026
where:
bonds (distance) C4'-P energy: -151.789
bonds (distance) P-C4' energy: -152.305
flat angles C4'-P-C4' energy: -196.656
flat angles P-C4'-P energy: -121.837
tors. eta vs tors. theta energy: -251.585
Dist. restrs. and SS energy: 2.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -2764.160841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.160841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.447631 (E_RNA)
where:
Base-Base interactions energy: -1914.518
where: short stacking energy: -780.235
Base-Backbone interact. energy: 1.308
local terms energy: -854.237253
where:
bonds (distance) C4'-P energy: -161.751
bonds (distance) P-C4' energy: -158.789
flat angles C4'-P-C4' energy: -175.714
flat angles P-C4'-P energy: -116.479
tors. eta vs tors. theta energy: -241.504
Dist. restrs. and SS energy: 3.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -2543.597305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.597305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.829185 (E_RNA)
where:
Base-Base interactions energy: -1772.479
where: short stacking energy: -758.194
Base-Backbone interact. energy: -0.874
local terms energy: -771.475843
where:
bonds (distance) C4'-P energy: -150.856
bonds (distance) P-C4' energy: -143.316
flat angles C4'-P-C4' energy: -167.004
flat angles P-C4'-P energy: -108.800
tors. eta vs tors. theta energy: -201.500
Dist. restrs. and SS energy: 1.232 (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: 498
Temperature: 1.100000
Total energy: -2464.844222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.844222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.424727 (E_RNA)
where:
Base-Base interactions energy: -1685.472
where: short stacking energy: -725.954
Base-Backbone interact. energy: 0.593
local terms energy: -781.544975
where:
bonds (distance) C4'-P energy: -145.162
bonds (distance) P-C4' energy: -141.827
flat angles C4'-P-C4' energy: -173.536
flat angles P-C4'-P energy: -103.812
tors. eta vs tors. theta energy: -217.209
Dist. restrs. and SS energy: 1.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -2347.150299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.150299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.983947 (E_RNA)
where:
Base-Base interactions energy: -1617.455
where: short stacking energy: -667.341
Base-Backbone interact. energy: -1.622
local terms energy: -729.906437
where:
bonds (distance) C4'-P energy: -122.989
bonds (distance) P-C4' energy: -144.144
flat angles C4'-P-C4' energy: -150.143
flat angles P-C4'-P energy: -114.110
tors. eta vs tors. theta energy: -198.521
Dist. restrs. and SS energy: 1.834 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -2164.672659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.672659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.870792 (E_RNA)
where:
Base-Base interactions energy: -1511.916
where: short stacking energy: -623.499
Base-Backbone interact. energy: -1.375
local terms energy: -655.579953
where:
bonds (distance) C4'-P energy: -131.281
bonds (distance) P-C4' energy: -140.322
flat angles C4'-P-C4' energy: -140.085
flat angles P-C4'-P energy: -72.650
tors. eta vs tors. theta energy: -171.242
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: 8, replica: 1
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -2028.697144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.697144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.257449 (E_RNA)
where:
Base-Base interactions energy: -1359.805
where: short stacking energy: -564.788
Base-Backbone interact. energy: -3.879
local terms energy: -666.573866
where:
bonds (distance) C4'-P energy: -149.512
bonds (distance) P-C4' energy: -142.032
flat angles C4'-P-C4' energy: -133.645
flat angles P-C4'-P energy: -91.295
tors. eta vs tors. theta energy: -150.089
Dist. restrs. and SS energy: 1.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -1869.307635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.307635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.850243 (E_RNA)
where:
Base-Base interactions energy: -1270.395
where: short stacking energy: -535.611
Base-Backbone interact. energy: -1.723
local terms energy: -600.732610
where:
bonds (distance) C4'-P energy: -121.955
bonds (distance) P-C4' energy: -126.945
flat angles C4'-P-C4' energy: -146.575
flat angles P-C4'-P energy: -93.558
tors. eta vs tors. theta energy: -111.699
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: 10, replica: 10
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -1874.904986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.904986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.031251 (E_RNA)
where:
Base-Base interactions energy: -1319.970
where: short stacking energy: -576.089
Base-Backbone interact. energy: 6.033
local terms energy: -566.093758
where:
bonds (distance) C4'-P energy: -113.630
bonds (distance) P-C4' energy: -134.028
flat angles C4'-P-C4' energy: -125.211
flat angles P-C4'-P energy: -60.104
tors. eta vs tors. theta energy: -133.122
Dist. restrs. and SS energy: 5.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -3007.222620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3007.222620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3008.910372 (E_RNA)
where:
Base-Base interactions energy: -2103.020
where: short stacking energy: -870.404
Base-Backbone interact. energy: -4.903
local terms energy: -900.987004
where:
bonds (distance) C4'-P energy: -165.824
bonds (distance) P-C4' energy: -175.847
flat angles C4'-P-C4' energy: -168.376
flat angles P-C4'-P energy: -127.742
tors. eta vs tors. theta energy: -263.197
Dist. restrs. and SS energy: 1.688 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -2855.791908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2855.791908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2859.153711 (E_RNA)
where:
Base-Base interactions energy: -2005.867
where: short stacking energy: -826.478
Base-Backbone interact. energy: -3.950
local terms energy: -849.337028
where:
bonds (distance) C4'-P energy: -157.259
bonds (distance) P-C4' energy: -156.212
flat angles C4'-P-C4' energy: -178.687
flat angles P-C4'-P energy: -116.761
tors. eta vs tors. theta energy: -240.419
Dist. restrs. and SS energy: 3.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -2774.054984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.054984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.112633 (E_RNA)
where:
Base-Base interactions energy: -1941.991
where: short stacking energy: -795.145
Base-Backbone interact. energy: 5.175
local terms energy: -839.296624
where:
bonds (distance) C4'-P energy: -141.872
bonds (distance) P-C4' energy: -157.537
flat angles C4'-P-C4' energy: -181.148
flat angles P-C4'-P energy: -123.363
tors. eta vs tors. theta energy: -235.378
Dist. restrs. and SS energy: 2.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -2589.877101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.877101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.534460 (E_RNA)
where:
Base-Base interactions energy: -1830.130
where: short stacking energy: -752.476
Base-Backbone interact. energy: -1.898
local terms energy: -759.506250
where:
bonds (distance) C4'-P energy: -150.857
bonds (distance) P-C4' energy: -147.113
flat angles C4'-P-C4' energy: -160.057
flat angles P-C4'-P energy: -105.864
tors. eta vs tors. theta energy: -195.615
Dist. restrs. and SS energy: 1.657 (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: 6
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -2446.906129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.906129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.512727 (E_RNA)
where:
Base-Base interactions energy: -1677.930
where: short stacking energy: -731.697
Base-Backbone interact. energy: -2.864
local terms energy: -767.719034
where:
bonds (distance) C4'-P energy: -130.965
bonds (distance) P-C4' energy: -147.946
flat angles C4'-P-C4' energy: -165.767
flat angles P-C4'-P energy: -107.617
tors. eta vs tors. theta energy: -215.423
Dist. restrs. and SS energy: 1.607 (S_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: 499
Temperature: 1.150000
Total energy: -2285.073566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.073566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.294964 (E_RNA)
where:
Base-Base interactions energy: -1570.211
where: short stacking energy: -661.996
Base-Backbone interact. energy: -2.895
local terms energy: -714.188891
where:
bonds (distance) C4'-P energy: -136.422
bonds (distance) P-C4' energy: -146.831
flat angles C4'-P-C4' energy: -163.940
flat angles P-C4'-P energy: -87.057
tors. eta vs tors. theta energy: -179.939
Dist. restrs. and SS energy: 2.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -2169.106601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.106601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.181937 (E_RNA)
where:
Base-Base interactions energy: -1500.369
where: short stacking energy: -623.879
Base-Backbone interact. energy: 1.774
local terms energy: -673.586998
where:
bonds (distance) C4'-P energy: -116.282
bonds (distance) P-C4' energy: -136.829
flat angles C4'-P-C4' energy: -154.036
flat angles P-C4'-P energy: -91.080
tors. eta vs tors. theta energy: -175.361
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: 8, replica: 1
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -2051.436193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.436193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.256992 (E_RNA)
where:
Base-Base interactions energy: -1381.832
where: short stacking energy: -579.245
Base-Backbone interact. energy: 0.124
local terms energy: -672.548946
where:
bonds (distance) C4'-P energy: -133.163
bonds (distance) P-C4' energy: -134.858
flat angles C4'-P-C4' energy: -143.788
flat angles P-C4'-P energy: -103.996
tors. eta vs tors. theta energy: -156.744
Dist. restrs. and SS energy: 2.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -1855.765043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.765043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.937599 (E_RNA)
where:
Base-Base interactions energy: -1252.896
where: short stacking energy: -486.800
Base-Backbone interact. energy: -2.724
local terms energy: -604.317081
where:
bonds (distance) C4'-P energy: -135.745
bonds (distance) P-C4' energy: -151.006
flat angles C4'-P-C4' energy: -130.703
flat angles P-C4'-P energy: -77.999
tors. eta vs tors. theta energy: -108.863
Dist. restrs. and SS energy: 4.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -1857.479973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.479973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.360559 (E_RNA)
where:
Base-Base interactions energy: -1262.913
where: short stacking energy: -529.838
Base-Backbone interact. energy: 3.604
local terms energy: -601.052229
where:
bonds (distance) C4'-P energy: -125.123
bonds (distance) P-C4' energy: -126.284
flat angles C4'-P-C4' energy: -133.589
flat angles P-C4'-P energy: -93.356
tors. eta vs tors. theta energy: -122.700
Dist. restrs. and SS energy: 2.881 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -2999.325889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2999.325889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3000.088343 (E_RNA)
where:
Base-Base interactions energy: -2093.787
where: short stacking energy: -851.303
Base-Backbone interact. energy: -4.827
local terms energy: -901.474627
where:
bonds (distance) C4'-P energy: -171.285
bonds (distance) P-C4' energy: -160.921
flat angles C4'-P-C4' energy: -181.738
flat angles P-C4'-P energy: -131.947
tors. eta vs tors. theta energy: -255.584
Dist. restrs. and SS energy: 0.762 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -2862.688447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2862.688447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2866.340332 (E_RNA)
where:
Base-Base interactions energy: -1985.409
where: short stacking energy: -813.526
Base-Backbone interact. energy: -3.352
local terms energy: -877.578989
where:
bonds (distance) C4'-P energy: -160.249
bonds (distance) P-C4' energy: -162.235
flat angles C4'-P-C4' energy: -176.418
flat angles P-C4'-P energy: -131.943
tors. eta vs tors. theta energy: -246.735
Dist. restrs. and SS energy: 3.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -2771.959403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2771.959403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2773.108484 (E_RNA)
where:
Base-Base interactions energy: -1920.346
where: short stacking energy: -806.476
Base-Backbone interact. energy: -0.225
local terms energy: -852.537287
where:
bonds (distance) C4'-P energy: -151.559
bonds (distance) P-C4' energy: -159.712
flat angles C4'-P-C4' energy: -183.381
flat angles P-C4'-P energy: -126.348
tors. eta vs tors. theta energy: -231.537
Dist. restrs. and SS energy: 1.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -2574.552640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.552640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.753144 (E_RNA)
where:
Base-Base interactions energy: -1770.541
where: short stacking energy: -721.140
Base-Backbone interact. energy: -1.482
local terms energy: -803.730143
where:
bonds (distance) C4'-P energy: -147.734
bonds (distance) P-C4' energy: -157.251
flat angles C4'-P-C4' energy: -167.800
flat angles P-C4'-P energy: -114.618
tors. eta vs tors. theta energy: -216.326
Dist. restrs. and SS energy: 1.201 (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: 6
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -2490.299047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.299047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.328536 (E_RNA)
where:
Base-Base interactions energy: -1683.743
where: short stacking energy: -684.394
Base-Backbone interact. energy: -2.084
local terms energy: -805.501323
where:
bonds (distance) C4'-P energy: -157.577
bonds (distance) P-C4' energy: -158.633
flat angles C4'-P-C4' energy: -162.965
flat angles P-C4'-P energy: -120.678
tors. eta vs tors. theta energy: -205.650
Dist. restrs. and SS energy: 1.029 (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: 8
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -2298.337886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.337886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.421727 (E_RNA)
where:
Base-Base interactions energy: -1577.849
where: short stacking energy: -684.802
Base-Backbone interact. energy: -6.012
local terms energy: -715.560728
where:
bonds (distance) C4'-P energy: -137.695
bonds (distance) P-C4' energy: -139.952
flat angles C4'-P-C4' energy: -161.665
flat angles P-C4'-P energy: -100.834
tors. eta vs tors. theta energy: -175.415
Dist. restrs. and SS energy: 1.084 (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: 3
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -2128.385068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.385068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.701611 (E_RNA)
where:
Base-Base interactions energy: -1459.352
where: short stacking energy: -612.231
Base-Backbone interact. energy: -1.013
local terms energy: -671.336969
where:
bonds (distance) C4'-P energy: -135.441
bonds (distance) P-C4' energy: -130.318
flat angles C4'-P-C4' energy: -144.117
flat angles P-C4'-P energy: -108.010
tors. eta vs tors. theta energy: -153.451
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: 8, replica: 1
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -2022.675882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.675882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.883858 (E_RNA)
where:
Base-Base interactions energy: -1369.061
where: short stacking energy: -573.960
Base-Backbone interact. energy: -0.350
local terms energy: -655.472685
where:
bonds (distance) C4'-P energy: -133.964
bonds (distance) P-C4' energy: -136.860
flat angles C4'-P-C4' energy: -143.630
flat angles P-C4'-P energy: -103.562
tors. eta vs tors. theta energy: -137.456
Dist. restrs. and SS energy: 2.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -1878.478739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.478739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.620564 (E_RNA)
where:
Base-Base interactions energy: -1280.946
where: short stacking energy: -541.791
Base-Backbone interact. energy: -2.594
local terms energy: -599.080547
where:
bonds (distance) C4'-P energy: -124.044
bonds (distance) P-C4' energy: -132.067
flat angles C4'-P-C4' energy: -117.809
flat angles P-C4'-P energy: -97.509
tors. eta vs tors. theta energy: -127.650
Dist. restrs. and SS energy: 4.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -1902.954158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.954158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.222509 (E_RNA)
where:
Base-Base interactions energy: -1273.282
where: short stacking energy: -528.431
Base-Backbone interact. energy: 0.213
local terms energy: -632.153773
where:
bonds (distance) C4'-P energy: -144.911
bonds (distance) P-C4' energy: -116.455
flat angles C4'-P-C4' energy: -142.696
flat angles P-C4'-P energy: -86.356
tors. eta vs tors. theta energy: -141.736
Dist. restrs. and SS energy: 2.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
out arg RESULTS//1/1-c06ca4fa_01
DONE
DONE